Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:16:29 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cd2AgAu.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 96 27 8 3754 565 91 Max 97 28 9 3759 586 93 Sum 3463 1003 295 135203 20827 3287 bravais-lattice index = 14 lattice parameter (alat) = 8.8809 a.u. unit-cell volume = 495.2868 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.880905 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd 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 1279 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 Cd 12.00 112.41100 Cd( 1.00) Ag 11.00 107.86820 Ag( 1.00) Au 11.00 196.96660 Au( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 317 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 2) = ( 0.0104167 -0.0060141 0.0085052), wk = 0.0031546 k( 3) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0031546 k( 4) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0031546 k( 5) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0031546 k( 6) = ( 0.0520833 -0.0300703 0.0425259), wk = 0.0031546 k( 7) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0031546 k( 8) = ( 0.0729167 -0.0420985 0.0595362), wk = 0.0031546 k( 9) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0031546 k( 10) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0031546 k( 11) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0031546 k( 12) = ( 0.1145833 -0.0661547 0.0935569), wk = 0.0031546 k( 13) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0031546 k( 14) = ( 0.1354167 -0.0781829 0.1105672), wk = 0.0031546 k( 15) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0031546 k( 16) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0031546 k( 17) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0031546 k( 18) = ( 0.1770833 -0.1022391 0.1445879), wk = 0.0031546 k( 19) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0031546 k( 20) = ( 0.1979167 -0.1142672 0.1615983), wk = 0.0031546 k( 21) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0031546 k( 22) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0031546 k( 23) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0031546 k( 24) = ( 0.2395833 -0.1383235 0.1956190), wk = 0.0031546 k( 25) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0031546 k( 26) = ( 0.2604167 -0.1503516 0.2126293), wk = 0.0031546 k( 27) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0031546 k( 28) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0031546 k( 29) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0031546 k( 30) = ( 0.3020833 -0.1744079 0.2466500), wk = 0.0031546 k( 31) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0031546 k( 32) = ( 0.3229167 -0.1864360 0.2636604), wk = 0.0031546 k( 33) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0031546 k( 34) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0031546 k( 35) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0031546 k( 36) = ( 0.3645833 -0.2104923 0.2976810), wk = 0.0031546 k( 37) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0031546 k( 38) = ( 0.3854167 -0.2225204 0.3146914), wk = 0.0031546 k( 39) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0031546 k( 40) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0031546 k( 41) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0031546 k( 42) = ( 0.4270833 -0.2465767 0.3487121), wk = 0.0031546 k( 43) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0031546 k( 44) = ( 0.4479167 -0.2586048 0.3657224), wk = 0.0031546 k( 45) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0031546 k( 46) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0031546 k( 47) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0031546 k( 48) = ( 0.4895833 -0.2826611 0.3997431), wk = 0.0031546 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031546 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031546 k( 51) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031546 k( 52) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031546 k( 53) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031546 k( 54) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031546 k( 55) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031546 k( 56) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031546 k( 57) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031546 k( 58) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031546 k( 59) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031546 k( 60) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031546 k( 61) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031546 k( 62) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031546 k( 63) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031546 k( 64) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031546 k( 65) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031546 k( 66) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031546 k( 67) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031546 k( 68) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031546 k( 69) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031546 k( 70) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031546 k( 71) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031546 k( 72) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031546 k( 73) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031546 k( 74) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031546 k( 75) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031546 k( 76) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031546 k( 77) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031546 k( 78) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031546 k( 79) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031546 k( 80) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031546 k( 81) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031546 k( 82) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031546 k( 83) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031546 k( 84) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031546 k( 85) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031546 k( 86) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031546 k( 87) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031546 k( 88) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031546 k( 89) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031546 k( 90) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031546 k( 91) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031546 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031546 k( 93) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031546 k( 94) = ( 0.3676471 0.2122611 0.6003651), wk = 0.0031546 k( 95) = ( 0.3602941 0.2080159 0.5883578), wk = 0.0031546 k( 96) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0031546 k( 97) = ( 0.3455882 0.1995255 0.5643432), wk = 0.0031546 k( 98) = ( 0.3382353 0.1952802 0.5523359), wk = 0.0031546 k( 99) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0031546 k( 100) = ( 0.3235294 0.1867898 0.5283213), wk = 0.0031546 k( 101) = ( 0.3161765 0.1825446 0.5163140), wk = 0.0031546 k( 102) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0031546 k( 103) = ( 0.3014706 0.1740541 0.4922994), wk = 0.0031546 k( 104) = ( 0.2941177 0.1698089 0.4802921), wk = 0.0031546 k( 105) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0031546 k( 106) = ( 0.2794118 0.1613185 0.4562775), wk = 0.0031546 k( 107) = ( 0.2720588 0.1570732 0.4442702), wk = 0.0031546 k( 108) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0031546 k( 109) = ( 0.2573529 0.1485828 0.4202556), wk = 0.0031546 k( 110) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0031546 k( 111) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0031546 k( 112) = ( 0.2352941 0.1358471 0.3842337), wk = 0.0031546 k( 113) = ( 0.2279412 0.1316019 0.3722264), wk = 0.0031546 k( 114) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0031546 k( 115) = ( 0.2132353 0.1231115 0.3482118), wk = 0.0031546 k( 116) = ( 0.2058823 0.1188662 0.3362045), wk = 0.0031546 k( 117) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0031546 k( 118) = ( 0.1911765 0.1103758 0.3121899), wk = 0.0031546 k( 119) = ( 0.1838235 0.1061306 0.3001826), wk = 0.0031546 k( 120) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0031546 k( 121) = ( 0.1691177 0.0976401 0.2761680), wk = 0.0031546 k( 122) = ( 0.1617647 0.0933949 0.2641607), wk = 0.0031546 k( 123) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0031546 k( 124) = ( 0.1470588 0.0849044 0.2401461), wk = 0.0031546 k( 125) = ( 0.1397059 0.0806592 0.2281387), wk = 0.0031546 k( 126) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0031546 k( 127) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0031546 k( 128) = ( 0.1176471 0.0679236 0.1921168), wk = 0.0031546 k( 129) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0031546 k( 130) = ( 0.1029412 0.0594331 0.1681022), wk = 0.0031546 k( 131) = ( 0.0955882 0.0551879 0.1560949), wk = 0.0031546 k( 132) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0031546 k( 133) = ( 0.0808824 0.0466974 0.1320803), wk = 0.0031546 k( 134) = ( 0.0735294 0.0424522 0.1200730), wk = 0.0031546 k( 135) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0031546 k( 136) = ( 0.0588235 0.0339618 0.0960584), wk = 0.0031546 k( 137) = ( 0.0514706 0.0297166 0.0840511), wk = 0.0031546 k( 138) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0031546 k( 139) = ( 0.0367647 0.0212261 0.0600365), wk = 0.0031546 k( 140) = ( 0.0294118 0.0169809 0.0480292), wk = 0.0031546 k( 141) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0031546 k( 142) = ( 0.0147059 0.0084904 0.0240146), wk = 0.0031546 k( 143) = ( 0.0073529 0.0042452 0.0120073), wk = 0.0031546 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 146) = ( 0.0121951 0.0070409 0.0049786), wk = 0.0031546 k( 147) = ( 0.0243902 0.0140817 0.0099573), wk = 0.0031546 k( 148) = ( 0.0365854 0.0211226 0.0149359), wk = 0.0031546 k( 149) = ( 0.0487805 0.0281634 0.0199146), wk = 0.0031546 k( 150) = ( 0.0609756 0.0352043 0.0248932), wk = 0.0031546 k( 151) = ( 0.0731707 0.0422451 0.0298718), wk = 0.0031546 k( 152) = ( 0.0853658 0.0492860 0.0348505), wk = 0.0031546 k( 153) = ( 0.0975610 0.0563269 0.0398291), wk = 0.0031546 k( 154) = ( 0.1097561 0.0633677 0.0448077), wk = 0.0031546 k( 155) = ( 0.1219512 0.0704086 0.0497864), wk = 0.0031546 k( 156) = ( 0.1341463 0.0774494 0.0547650), wk = 0.0031546 k( 157) = ( 0.1463415 0.0844903 0.0597437), wk = 0.0031546 k( 158) = ( 0.1585366 0.0915311 0.0647223), wk = 0.0031546 k( 159) = ( 0.1707317 0.0985720 0.0697009), wk = 0.0031546 k( 160) = ( 0.1829268 0.1056129 0.0746796), wk = 0.0031546 k( 161) = ( 0.1951219 0.1126537 0.0796582), wk = 0.0031546 k( 162) = ( 0.2073171 0.1196946 0.0846368), wk = 0.0031546 k( 163) = ( 0.2195122 0.1267354 0.0896155), wk = 0.0031546 k( 164) = ( 0.2317073 0.1337763 0.0945941), wk = 0.0031546 k( 165) = ( 0.2439024 0.1408171 0.0995728), wk = 0.0031546 k( 166) = ( 0.2560976 0.1478580 0.1045514), wk = 0.0031546 k( 167) = ( 0.2682927 0.1548989 0.1095300), wk = 0.0031546 k( 168) = ( 0.2804878 0.1619397 0.1145087), wk = 0.0031546 k( 169) = ( 0.2926829 0.1689806 0.1194873), wk = 0.0031546 k( 170) = ( 0.3048781 0.1760214 0.1244659), wk = 0.0031546 k( 171) = ( 0.3170732 0.1830623 0.1294446), wk = 0.0031546 k( 172) = ( 0.3292683 0.1901031 0.1344232), wk = 0.0031546 k( 173) = ( 0.3414634 0.1971440 0.1394019), wk = 0.0031546 k( 174) = ( 0.3536585 0.2041849 0.1443805), wk = 0.0031546 k( 175) = ( 0.3658537 0.2112257 0.1493591), wk = 0.0031546 k( 176) = ( 0.3780488 0.2182666 0.1543378), wk = 0.0031546 k( 177) = ( 0.3902439 0.2253074 0.1593164), wk = 0.0031546 k( 178) = ( 0.4024390 0.2323483 0.1642950), wk = 0.0031546 k( 179) = ( 0.4146341 0.2393891 0.1692737), wk = 0.0031546 k( 180) = ( 0.4268293 0.2464300 0.1742523), wk = 0.0031546 k( 181) = ( 0.4390244 0.2534708 0.1792310), wk = 0.0031546 k( 182) = ( 0.4512195 0.2605117 0.1842096), wk = 0.0031546 k( 183) = ( 0.4634146 0.2675526 0.1891882), wk = 0.0031546 k( 184) = ( 0.4756098 0.2745934 0.1941669), wk = 0.0031546 k( 185) = ( 0.4878049 0.2816343 0.1991455), wk = 0.0031546 k( 186) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 187) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 188) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0031546 k( 189) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0031546 k( 190) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0031546 k( 191) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0031546 k( 192) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0031546 k( 193) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0031546 k( 194) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0031546 k( 195) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0031546 k( 196) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0031546 k( 197) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0031546 k( 198) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0031546 k( 199) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0031546 k( 200) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0031546 k( 201) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0031546 k( 202) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0031546 k( 203) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0031546 k( 204) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0031546 k( 205) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0031546 k( 206) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0031546 k( 207) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0031546 k( 208) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0031546 k( 209) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0031546 k( 210) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0031546 k( 211) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0031546 k( 212) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0031546 k( 213) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0031546 k( 214) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0031546 k( 215) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0031546 k( 216) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031546 k( 217) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031546 k( 218) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031546 k( 219) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031546 k( 220) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031546 k( 221) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031546 k( 222) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031546 k( 223) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031546 k( 224) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031546 k( 225) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031546 k( 226) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031546 k( 227) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031546 k( 228) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031546 k( 229) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031546 k( 230) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031546 k( 231) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031546 k( 232) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031546 k( 233) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031546 k( 234) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031546 k( 235) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031546 k( 236) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031546 k( 237) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031546 k( 238) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031546 k( 239) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031546 k( 240) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031546 k( 241) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031546 k( 242) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031546 k( 243) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031546 k( 244) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031546 k( 245) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031546 k( 246) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031546 k( 247) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031546 k( 248) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031546 k( 249) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031546 k( 250) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031546 k( 251) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031546 k( 252) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031546 k( 253) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031546 k( 254) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031546 k( 255) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031546 k( 256) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031546 k( 257) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031546 k( 258) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031546 k( 259) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031546 k( 260) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031546 k( 261) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031546 k( 262) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031546 k( 263) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031546 k( 264) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031546 k( 265) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031546 k( 266) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031546 k( 267) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031546 k( 268) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031546 k( 269) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 270) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 271) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0031546 k( 272) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0031546 k( 273) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0031546 k( 274) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0031546 k( 275) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0031546 k( 276) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0031546 k( 277) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0031546 k( 278) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0031546 k( 279) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0031546 k( 280) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0031546 k( 281) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0031546 k( 282) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0031546 k( 283) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0031546 k( 284) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0031546 k( 285) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0031546 k( 286) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0031546 k( 287) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0031546 k( 288) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0031546 k( 289) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0031546 k( 290) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0031546 k( 291) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0031546 k( 292) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0031546 k( 293) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0031546 k( 294) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0031546 k( 295) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0031546 k( 296) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0031546 k( 297) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0031546 k( 298) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0031546 k( 299) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031546 k( 300) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031546 k( 301) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031546 k( 302) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031546 k( 303) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031546 k( 304) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031546 k( 305) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031546 k( 306) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031546 k( 307) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031546 k( 308) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031546 k( 309) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031546 k( 310) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031546 k( 311) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031546 k( 312) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031546 k( 313) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031546 k( 314) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031546 k( 315) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031546 k( 316) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031546 k( 317) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031546 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 2) = ( 0.0104167 -0.0000000 0.0104167), wk = 0.0031546 k( 3) = ( 0.0208333 0.0000000 0.0208333), wk = 0.0031546 k( 4) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0031546 k( 5) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0031546 k( 6) = ( 0.0520833 -0.0000000 0.0520833), wk = 0.0031546 k( 7) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0031546 k( 8) = ( 0.0729167 0.0000000 0.0729167), wk = 0.0031546 k( 9) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0031546 k( 10) = ( 0.0937500 -0.0000000 0.0937500), wk = 0.0031546 k( 11) = ( 0.1041667 -0.0000000 0.1041667), wk = 0.0031546 k( 12) = ( 0.1145833 -0.0000000 0.1145833), wk = 0.0031546 k( 13) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0031546 k( 14) = ( 0.1354167 0.0000000 0.1354167), wk = 0.0031546 k( 15) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0031546 k( 16) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0031546 k( 17) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0031546 k( 18) = ( 0.1770833 -0.0000000 0.1770833), wk = 0.0031546 k( 19) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0031546 k( 20) = ( 0.1979167 -0.0000000 0.1979167), wk = 0.0031546 k( 21) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0031546 k( 22) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0031546 k( 23) = ( 0.2291667 0.0000000 0.2291667), wk = 0.0031546 k( 24) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0031546 k( 25) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0031546 k( 26) = ( 0.2604167 0.0000000 0.2604167), wk = 0.0031546 k( 27) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0031546 k( 28) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0031546 k( 29) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0031546 k( 30) = ( 0.3020833 -0.0000000 0.3020833), wk = 0.0031546 k( 31) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0031546 k( 32) = ( 0.3229167 0.0000000 0.3229167), wk = 0.0031546 k( 33) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0031546 k( 34) = ( 0.3437500 0.0000000 0.3437500), wk = 0.0031546 k( 35) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0031546 k( 36) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0031546 k( 37) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0031546 k( 38) = ( 0.3854167 -0.0000000 0.3854167), wk = 0.0031546 k( 39) = ( 0.3958333 -0.0000000 0.3958333), wk = 0.0031546 k( 40) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0031546 k( 41) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0031546 k( 42) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0031546 k( 43) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0031546 k( 44) = ( 0.4479167 -0.0000000 0.4479167), wk = 0.0031546 k( 45) = ( 0.4583333 -0.0000000 0.4583333), wk = 0.0031546 k( 46) = ( 0.4687500 -0.0000000 0.4687500), wk = 0.0031546 k( 47) = ( 0.4791667 -0.0000000 0.4791667), wk = 0.0031546 k( 48) = ( 0.4895833 -0.0000000 0.4895833), wk = 0.0031546 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031546 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031546 k( 51) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031546 k( 52) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031546 k( 53) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031546 k( 54) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031546 k( 55) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031546 k( 56) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031546 k( 57) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031546 k( 58) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031546 k( 59) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031546 k( 60) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031546 k( 61) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031546 k( 62) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031546 k( 63) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031546 k( 64) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031546 k( 65) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031546 k( 66) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031546 k( 67) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031546 k( 68) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031546 k( 69) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031546 k( 70) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031546 k( 71) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031546 k( 72) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031546 k( 73) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031546 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 75) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 76) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031546 k( 77) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031546 k( 78) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031546 k( 79) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031546 k( 80) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031546 k( 81) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031546 k( 82) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031546 k( 83) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031546 k( 84) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031546 k( 85) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031546 k( 86) = ( 0.4191177 0.3308824 0.7500000), wk = 0.0031546 k( 87) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031546 k( 88) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031546 k( 89) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031546 k( 90) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031546 k( 91) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031546 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031546 k( 93) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031546 k( 94) = ( 0.3676471 0.3676471 0.7352941), wk = 0.0031546 k( 95) = ( 0.3602941 0.3602941 0.7205882), wk = 0.0031546 k( 96) = ( 0.3529412 0.3529412 0.7058824), wk = 0.0031546 k( 97) = ( 0.3455882 0.3455882 0.6911765), wk = 0.0031546 k( 98) = ( 0.3382353 0.3382353 0.6764706), wk = 0.0031546 k( 99) = ( 0.3308823 0.3308824 0.6617647), wk = 0.0031546 k( 100) = ( 0.3235294 0.3235294 0.6470588), wk = 0.0031546 k( 101) = ( 0.3161765 0.3161765 0.6323529), wk = 0.0031546 k( 102) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0031546 k( 103) = ( 0.3014706 0.3014706 0.6029412), wk = 0.0031546 k( 104) = ( 0.2941177 0.2941177 0.5882353), wk = 0.0031546 k( 105) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0031546 k( 106) = ( 0.2794118 0.2794118 0.5588235), wk = 0.0031546 k( 107) = ( 0.2720588 0.2720588 0.5441177), wk = 0.0031546 k( 108) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0031546 k( 109) = ( 0.2573529 0.2573529 0.5147059), wk = 0.0031546 k( 110) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031546 k( 111) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0031546 k( 112) = ( 0.2352941 0.2352941 0.4705882), wk = 0.0031546 k( 113) = ( 0.2279412 0.2279412 0.4558824), wk = 0.0031546 k( 114) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0031546 k( 115) = ( 0.2132353 0.2132353 0.4264706), wk = 0.0031546 k( 116) = ( 0.2058823 0.2058823 0.4117647), wk = 0.0031546 k( 117) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0031546 k( 118) = ( 0.1911765 0.1911765 0.3823529), wk = 0.0031546 k( 119) = ( 0.1838235 0.1838235 0.3676471), wk = 0.0031546 k( 120) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0031546 k( 121) = ( 0.1691177 0.1691177 0.3382353), wk = 0.0031546 k( 122) = ( 0.1617647 0.1617647 0.3235294), wk = 0.0031546 k( 123) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0031546 k( 124) = ( 0.1470588 0.1470588 0.2941177), wk = 0.0031546 k( 125) = ( 0.1397059 0.1397059 0.2794118), wk = 0.0031546 k( 126) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0031546 k( 127) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0031546 k( 128) = ( 0.1176471 0.1176471 0.2352941), wk = 0.0031546 k( 129) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0031546 k( 130) = ( 0.1029412 0.1029412 0.2058823), wk = 0.0031546 k( 131) = ( 0.0955882 0.0955882 0.1911765), wk = 0.0031546 k( 132) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0031546 k( 133) = ( 0.0808824 0.0808824 0.1617647), wk = 0.0031546 k( 134) = ( 0.0735294 0.0735294 0.1470588), wk = 0.0031546 k( 135) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0031546 k( 136) = ( 0.0588235 0.0588235 0.1176471), wk = 0.0031546 k( 137) = ( 0.0514706 0.0514706 0.1029412), wk = 0.0031546 k( 138) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0031546 k( 139) = ( 0.0367647 0.0367647 0.0735294), wk = 0.0031546 k( 140) = ( 0.0294118 0.0294118 0.0588235), wk = 0.0031546 k( 141) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0031546 k( 142) = ( 0.0147059 0.0147059 0.0294118), wk = 0.0031546 k( 143) = ( 0.0073529 0.0073529 0.0147059), wk = 0.0031546 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 146) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0031546 k( 147) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0031546 k( 148) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0031546 k( 149) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0031546 k( 150) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0031546 k( 151) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0031546 k( 152) = ( 0.0853658 0.0853659 0.0853658), wk = 0.0031546 k( 153) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0031546 k( 154) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0031546 k( 155) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0031546 k( 156) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0031546 k( 157) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0031546 k( 158) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0031546 k( 159) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0031546 k( 160) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0031546 k( 161) = ( 0.1951219 0.1951219 0.1951220), wk = 0.0031546 k( 162) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0031546 k( 163) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0031546 k( 164) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0031546 k( 165) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0031546 k( 166) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0031546 k( 167) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0031546 k( 168) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0031546 k( 169) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0031546 k( 170) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0031546 k( 171) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0031546 k( 172) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0031546 k( 173) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0031546 k( 174) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0031546 k( 175) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0031546 k( 176) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0031546 k( 177) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0031546 k( 178) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0031546 k( 179) = ( 0.4146341 0.4146341 0.4146342), wk = 0.0031546 k( 180) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0031546 k( 181) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0031546 k( 182) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0031546 k( 183) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0031546 k( 184) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0031546 k( 185) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0031546 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 188) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0031546 k( 189) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0031546 k( 190) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0031546 k( 191) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0031546 k( 192) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0031546 k( 193) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0031546 k( 194) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0031546 k( 195) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0031546 k( 196) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0031546 k( 197) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0031546 k( 198) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0031546 k( 199) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0031546 k( 200) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0031546 k( 201) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0031546 k( 202) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0031546 k( 203) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0031546 k( 204) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0031546 k( 205) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0031546 k( 206) = ( 0.5818965 0.3362069 0.5818965), wk = 0.0031546 k( 207) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0031546 k( 208) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0031546 k( 209) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0031546 k( 210) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0031546 k( 211) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0031546 k( 212) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0031546 k( 213) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0031546 k( 214) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0031546 k( 215) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0031546 k( 216) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031546 k( 217) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031546 k( 218) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031546 k( 219) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031546 k( 220) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031546 k( 221) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031546 k( 222) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031546 k( 223) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031546 k( 224) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031546 k( 225) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031546 k( 226) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031546 k( 227) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031546 k( 228) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0031546 k( 229) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031546 k( 230) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031546 k( 231) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031546 k( 232) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031546 k( 233) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031546 k( 234) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 235) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 236) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031546 k( 237) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031546 k( 238) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031546 k( 239) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031546 k( 240) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031546 k( 241) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0031546 k( 242) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031546 k( 243) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031546 k( 244) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031546 k( 245) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031546 k( 246) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031546 k( 247) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031546 k( 248) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031546 k( 249) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031546 k( 250) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031546 k( 251) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031546 k( 252) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031546 k( 253) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031546 k( 254) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031546 k( 255) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031546 k( 256) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031546 k( 257) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031546 k( 258) = ( 0.5000000 0.4191177 0.5808824), wk = 0.0031546 k( 259) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031546 k( 260) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031546 k( 261) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031546 k( 262) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031546 k( 263) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0031546 k( 264) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031546 k( 265) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031546 k( 266) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031546 k( 267) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031546 k( 268) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031546 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 271) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0031546 k( 272) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0031546 k( 273) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0031546 k( 274) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0031546 k( 275) = ( 0.4784483 0.4784483 0.5431035), wk = 0.0031546 k( 276) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0031546 k( 277) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0031546 k( 278) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0031546 k( 279) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0031546 k( 280) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0031546 k( 281) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0031546 k( 282) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0031546 k( 283) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0031546 k( 284) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0031546 k( 285) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0031546 k( 286) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0031546 k( 287) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0031546 k( 288) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0031546 k( 289) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0031546 k( 290) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0031546 k( 291) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0031546 k( 292) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0031546 k( 293) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0031546 k( 294) = ( 0.3965517 0.3965517 0.7068965), wk = 0.0031546 k( 295) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0031546 k( 296) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0031546 k( 297) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0031546 k( 298) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0031546 k( 299) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031546 k( 300) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031546 k( 301) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031546 k( 302) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031546 k( 303) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031546 k( 304) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031546 k( 305) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031546 k( 306) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0031546 k( 307) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031546 k( 308) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031546 k( 309) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031546 k( 310) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031546 k( 311) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031546 k( 312) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031546 k( 313) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031546 k( 314) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031546 k( 315) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031546 k( 316) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031546 k( 317) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031546 Dense grid: 135203 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 20827 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 148, 56) NL pseudopotentials 0.15 Mb ( 74, 136) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3756) G-vector shells 0.01 Mb ( 779) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 148, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.23 Mb ( 136, 2, 56) The potential is recalculated from file : ./Cd2AgAu.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.5 secs Computing kpt #: 13 total cpu time spent up to now is 11.1 secs Computing kpt #: 14 total cpu time spent up to now is 11.8 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 13.1 secs Computing kpt #: 17 total cpu time spent up to now is 13.7 secs Computing kpt #: 18 total cpu time spent up to now is 14.4 secs Computing kpt #: 19 total cpu time spent up to now is 15.0 secs Computing kpt #: 20 total cpu time spent up to now is 15.6 secs Computing kpt #: 21 total cpu time spent up to now is 16.3 secs Computing kpt #: 22 total cpu time spent up to now is 16.9 secs Computing kpt #: 23 total cpu time spent up to now is 17.5 secs Computing kpt #: 24 total cpu time spent up to now is 18.1 secs Computing kpt #: 25 total cpu time spent up to now is 18.7 secs Computing kpt #: 26 total cpu time spent up to now is 19.3 secs Computing kpt #: 27 total cpu time spent up to now is 19.9 secs Computing kpt #: 28 total cpu time spent up to now is 20.5 secs Computing kpt #: 29 total cpu time spent up to now is 21.1 secs Computing kpt #: 30 total cpu time spent up to now is 21.6 secs Computing kpt #: 31 total cpu time spent up to now is 22.2 secs Computing kpt #: 32 total cpu time spent up to now is 22.8 secs Computing kpt #: 33 total cpu time spent up to now is 23.4 secs Computing kpt #: 34 total cpu time spent up to now is 23.9 secs Computing kpt #: 35 total cpu time spent up to now is 24.4 secs Computing kpt #: 36 total cpu time spent up to now is 25.0 secs Computing kpt #: 37 total cpu time spent up to now is 25.5 secs Computing kpt #: 38 total cpu time spent up to now is 26.1 secs Computing kpt #: 39 total cpu time spent up to now is 26.7 secs Computing kpt #: 40 total cpu time spent up to now is 27.3 secs Computing kpt #: 41 total cpu time spent up to now is 27.9 secs Computing kpt #: 42 total cpu time spent up to now is 28.5 secs Computing kpt #: 43 total cpu time spent up to now is 29.1 secs Computing kpt #: 44 total cpu time spent up to now is 29.8 secs Computing kpt #: 45 total cpu time spent up to now is 30.5 secs Computing kpt #: 46 total cpu time spent up to now is 31.2 secs Computing kpt #: 47 total cpu time spent up to now is 32.8 secs Computing kpt #: 48 total cpu time spent up to now is 33.6 secs Computing kpt #: 49 total cpu time spent up to now is 34.2 secs Computing kpt #: 50 total cpu time spent up to now is 34.9 secs Computing kpt #: 51 total cpu time spent up to now is 35.6 secs Computing kpt #: 52 total cpu time spent up to now is 36.3 secs Computing kpt #: 53 total cpu time spent up to now is 37.0 secs Computing kpt #: 54 total cpu time spent up to now is 37.7 secs Computing kpt #: 55 total cpu time spent up to now is 38.4 secs Computing kpt #: 56 total cpu time spent up to now is 39.1 secs Computing kpt #: 57 total cpu time spent up to now is 39.7 secs Computing kpt #: 58 total cpu time spent up to now is 40.4 secs Computing kpt #: 59 total cpu time spent up to now is 41.0 secs Computing kpt #: 60 total cpu time spent up to now is 41.7 secs Computing kpt #: 61 total cpu time spent up to now is 42.3 secs Computing kpt #: 62 total cpu time spent up to now is 42.9 secs Computing kpt #: 63 total cpu time spent up to now is 43.5 secs Computing kpt #: 64 total cpu time spent up to now is 44.0 secs Computing kpt #: 65 total cpu time spent up to now is 44.6 secs Computing kpt #: 66 total cpu time spent up to now is 45.1 secs Computing kpt #: 67 total cpu time spent up to now is 45.7 secs Computing kpt #: 68 total cpu time spent up to now is 46.2 secs Computing kpt #: 69 total cpu time spent up to now is 46.7 secs Computing kpt #: 70 total cpu time spent up to now is 47.2 secs Computing kpt #: 71 total cpu time spent up to now is 47.7 secs Computing kpt #: 72 total cpu time spent up to now is 48.3 secs Computing kpt #: 73 total cpu time spent up to now is 48.9 secs Computing kpt #: 74 total cpu time spent up to now is 49.4 secs Computing kpt #: 75 total cpu time spent up to now is 49.9 secs Computing kpt #: 76 total cpu time spent up to now is 50.4 secs Computing kpt #: 77 total cpu time spent up to now is 50.9 secs Computing kpt #: 78 total cpu time spent up to now is 51.4 secs Computing kpt #: 79 total cpu time spent up to now is 51.9 secs Computing kpt #: 80 total cpu time spent up to now is 52.4 secs Computing kpt #: 81 total cpu time spent up to now is 52.9 secs Computing kpt #: 82 total cpu time spent up to now is 53.5 secs Computing kpt #: 83 total cpu time spent up to now is 54.0 secs Computing kpt #: 84 total cpu time spent up to now is 54.6 secs Computing kpt #: 85 total cpu time spent up to now is 55.2 secs Computing kpt #: 86 total cpu time spent up to now is 55.8 secs Computing kpt #: 87 total cpu time spent up to now is 56.5 secs Computing kpt #: 88 total cpu time spent up to now is 57.1 secs Computing kpt #: 89 total cpu time spent up to now is 57.8 secs Computing kpt #: 90 total cpu time spent up to now is 58.5 secs Computing kpt #: 91 total cpu time spent up to now is 59.2 secs Computing kpt #: 92 total cpu time spent up to now is 59.9 secs Computing kpt #: 93 total cpu time spent up to now is 60.7 secs Computing kpt #: 94 total cpu time spent up to now is 61.4 secs Computing kpt #: 95 total cpu time spent up to now is 62.1 secs Computing kpt #: 96 total cpu time spent up to now is 62.8 secs Computing kpt #: 97 total cpu time spent up to now is 63.5 secs Computing kpt #: 98 total cpu time spent up to now is 64.2 secs Computing kpt #: 99 total cpu time spent up to now is 64.9 secs Computing kpt #: 100 total cpu time spent up to now is 65.6 secs Computing kpt #: 101 total cpu time spent up to now is 66.3 secs Computing kpt #: 102 total cpu time spent up to now is 67.0 secs Computing kpt #: 103 total cpu time spent up to now is 67.6 secs Computing kpt #: 104 total cpu time spent up to now is 68.2 secs Computing kpt #: 105 total cpu time spent up to now is 68.9 secs Computing kpt #: 106 total cpu time spent up to now is 69.6 secs Computing kpt #: 107 total cpu time spent up to now is 70.2 secs Computing kpt #: 108 total cpu time spent up to now is 70.9 secs Computing kpt #: 109 total cpu time spent up to now is 71.5 secs Computing kpt #: 110 total cpu time spent up to now is 72.2 secs Computing kpt #: 111 total cpu time spent up to now is 72.8 secs Computing kpt #: 112 total cpu time spent up to now is 73.5 secs Computing kpt #: 113 total cpu time spent up to now is 74.2 secs Computing kpt #: 114 total cpu time spent up to now is 74.9 secs Computing kpt #: 115 total cpu time spent up to now is 75.5 secs Computing kpt #: 116 total cpu time spent up to now is 76.3 secs Computing kpt #: 117 total cpu time spent up to now is 76.9 secs Computing kpt #: 118 total cpu time spent up to now is 77.7 secs Computing kpt #: 119 total cpu time spent up to now is 78.3 secs Computing kpt #: 120 total cpu time spent up to now is 79.0 secs Computing kpt #: 121 total cpu time spent up to now is 79.7 secs Computing kpt #: 122 total cpu time spent up to now is 80.4 secs Computing kpt #: 123 total cpu time spent up to now is 81.1 secs Computing kpt #: 124 total cpu time spent up to now is 81.8 secs Computing kpt #: 125 total cpu time spent up to now is 82.5 secs Computing kpt #: 126 total cpu time spent up to now is 83.1 secs Computing kpt #: 127 total cpu time spent up to now is 83.8 secs Computing kpt #: 128 total cpu time spent up to now is 84.4 secs Computing kpt #: 129 total cpu time spent up to now is 85.0 secs Computing kpt #: 130 total cpu time spent up to now is 85.7 secs Computing kpt #: 131 total cpu time spent up to now is 86.3 secs Computing kpt #: 132 total cpu time spent up to now is 86.9 secs Computing kpt #: 133 total cpu time spent up to now is 87.5 secs Computing kpt #: 134 total cpu time spent up to now is 88.1 secs Computing kpt #: 135 total cpu time spent up to now is 88.6 secs Computing kpt #: 136 total cpu time spent up to now is 89.3 secs Computing kpt #: 137 total cpu time spent up to now is 89.9 secs Computing kpt #: 138 total cpu time spent up to now is 90.4 secs Computing kpt #: 139 total cpu time spent up to now is 91.0 secs Computing kpt #: 140 total cpu time spent up to now is 91.6 secs Computing kpt #: 141 total cpu time spent up to now is 92.2 secs Computing kpt #: 142 total cpu time spent up to now is 92.7 secs Computing kpt #: 143 total cpu time spent up to now is 93.3 secs Computing kpt #: 144 total cpu time spent up to now is 93.9 secs Computing kpt #: 145 total cpu time spent up to now is 94.6 secs Computing kpt #: 146 total cpu time spent up to now is 95.1 secs Computing kpt #: 147 total cpu time spent up to now is 95.7 secs Computing kpt #: 148 total cpu time spent up to now is 96.3 secs Computing kpt #: 149 total cpu time spent up to now is 96.9 secs Computing kpt #: 150 total cpu time spent up to now is 97.5 secs Computing kpt #: 151 total cpu time spent up to now is 98.1 secs Computing kpt #: 152 total cpu time spent up to now is 98.6 secs Computing kpt #: 153 total cpu time spent up to now is 99.2 secs Computing kpt #: 154 total cpu time spent up to now is 99.8 secs Computing kpt #: 155 total cpu time spent up to now is 100.4 secs Computing kpt #: 156 total cpu time spent up to now is 101.0 secs Computing kpt #: 157 total cpu time spent up to now is 101.5 secs Computing kpt #: 158 total cpu time spent up to now is 102.1 secs Computing kpt #: 159 total cpu time spent up to now is 102.7 secs Computing kpt #: 160 total cpu time spent up to now is 103.3 secs Computing kpt #: 161 total cpu time spent up to now is 104.0 secs Computing kpt #: 162 total cpu time spent up to now is 104.6 secs Computing kpt #: 163 total cpu time spent up to now is 105.2 secs Computing kpt #: 164 total cpu time spent up to now is 105.9 secs Computing kpt #: 165 total cpu time spent up to now is 106.5 secs Computing kpt #: 166 total cpu time spent up to now is 107.1 secs Computing kpt #: 167 total cpu time spent up to now is 107.6 secs Computing kpt #: 168 total cpu time spent up to now is 108.1 secs Computing kpt #: 169 total cpu time spent up to now is 108.6 secs Computing kpt #: 170 total cpu time spent up to now is 109.1 secs Computing kpt #: 171 total cpu time spent up to now is 109.6 secs Computing kpt #: 172 total cpu time spent up to now is 110.1 secs Computing kpt #: 173 total cpu time spent up to now is 110.6 secs Computing kpt #: 174 total cpu time spent up to now is 111.1 secs Computing kpt #: 175 total cpu time spent up to now is 111.5 secs Computing kpt #: 176 total cpu time spent up to now is 112.0 secs Computing kpt #: 177 total cpu time spent up to now is 112.5 secs Computing kpt #: 178 total cpu time spent up to now is 113.0 secs Computing kpt #: 179 total cpu time spent up to now is 113.4 secs Computing kpt #: 180 total cpu time spent up to now is 113.9 secs Computing kpt #: 181 total cpu time spent up to now is 114.4 secs Computing kpt #: 182 total cpu time spent up to now is 114.9 secs Computing kpt #: 183 total cpu time spent up to now is 115.3 secs Computing kpt #: 184 total cpu time spent up to now is 115.8 secs Computing kpt #: 185 total cpu time spent up to now is 116.2 secs Computing kpt #: 186 total cpu time spent up to now is 116.7 secs Computing kpt #: 187 total cpu time spent up to now is 117.1 secs Computing kpt #: 188 total cpu time spent up to now is 117.5 secs Computing kpt #: 189 total cpu time spent up to now is 118.0 secs Computing kpt #: 190 total cpu time spent up to now is 118.5 secs Computing kpt #: 191 total cpu time spent up to now is 119.0 secs Computing kpt #: 192 total cpu time spent up to now is 119.4 secs Computing kpt #: 193 total cpu time spent up to now is 119.9 secs Computing kpt #: 194 total cpu time spent up to now is 120.4 secs Computing kpt #: 195 total cpu time spent up to now is 120.9 secs Computing kpt #: 196 total cpu time spent up to now is 121.4 secs Computing kpt #: 197 total cpu time spent up to now is 121.9 secs Computing kpt #: 198 total cpu time spent up to now is 122.4 secs Computing kpt #: 199 total cpu time spent up to now is 122.9 secs Computing kpt #: 200 total cpu time spent up to now is 123.4 secs Computing kpt #: 201 total cpu time spent up to now is 124.1 secs Computing kpt #: 202 total cpu time spent up to now is 124.7 secs Computing kpt #: 203 total cpu time spent up to now is 125.4 secs Computing kpt #: 204 total cpu time spent up to now is 126.1 secs Computing kpt #: 205 total cpu time spent up to now is 126.7 secs Computing kpt #: 206 total cpu time spent up to now is 127.3 secs Computing kpt #: 207 total cpu time spent up to now is 127.9 secs Computing kpt #: 208 total cpu time spent up to now is 128.5 secs Computing kpt #: 209 total cpu time spent up to now is 129.2 secs Computing kpt #: 210 total cpu time spent up to now is 129.9 secs Computing kpt #: 211 total cpu time spent up to now is 130.6 secs Computing kpt #: 212 total cpu time spent up to now is 131.5 secs Computing kpt #: 213 total cpu time spent up to now is 132.3 secs Computing kpt #: 214 total cpu time spent up to now is 133.2 secs Computing kpt #: 215 total cpu time spent up to now is 133.9 secs Computing kpt #: 216 total cpu time spent up to now is 134.6 secs Computing kpt #: 217 total cpu time spent up to now is 135.3 secs Computing kpt #: 218 total cpu time spent up to now is 136.0 secs Computing kpt #: 219 total cpu time spent up to now is 136.7 secs Computing kpt #: 220 total cpu time spent up to now is 137.4 secs Computing kpt #: 221 total cpu time spent up to now is 138.1 secs Computing kpt #: 222 total cpu time spent up to now is 138.7 secs Computing kpt #: 223 total cpu time spent up to now is 139.3 secs Computing kpt #: 224 total cpu time spent up to now is 140.0 secs Computing kpt #: 225 total cpu time spent up to now is 140.5 secs Computing kpt #: 226 total cpu time spent up to now is 141.1 secs Computing kpt #: 227 total cpu time spent up to now is 141.6 secs Computing kpt #: 228 total cpu time spent up to now is 142.1 secs Computing kpt #: 229 total cpu time spent up to now is 142.6 secs Computing kpt #: 230 total cpu time spent up to now is 143.2 secs Computing kpt #: 231 total cpu time spent up to now is 143.7 secs Computing kpt #: 232 total cpu time spent up to now is 144.2 secs Computing kpt #: 233 total cpu time spent up to now is 144.6 secs Computing kpt #: 234 total cpu time spent up to now is 145.1 secs Computing kpt #: 235 total cpu time spent up to now is 145.6 secs Computing kpt #: 236 total cpu time spent up to now is 146.1 secs Computing kpt #: 237 total cpu time spent up to now is 146.6 secs Computing kpt #: 238 total cpu time spent up to now is 147.1 secs Computing kpt #: 239 total cpu time spent up to now is 147.6 secs Computing kpt #: 240 total cpu time spent up to now is 148.1 secs Computing kpt #: 241 total cpu time spent up to now is 148.7 secs Computing kpt #: 242 total cpu time spent up to now is 149.2 secs Computing kpt #: 243 total cpu time spent up to now is 149.7 secs Computing kpt #: 244 total cpu time spent up to now is 150.3 secs Computing kpt #: 245 total cpu time spent up to now is 151.0 secs Computing kpt #: 246 total cpu time spent up to now is 151.6 secs Computing kpt #: 247 total cpu time spent up to now is 152.2 secs Computing kpt #: 248 total cpu time spent up to now is 152.9 secs Computing kpt #: 249 total cpu time spent up to now is 153.6 secs Computing kpt #: 250 total cpu time spent up to now is 154.4 secs Computing kpt #: 251 total cpu time spent up to now is 155.1 secs Computing kpt #: 252 total cpu time spent up to now is 155.8 secs Computing kpt #: 253 total cpu time spent up to now is 156.4 secs Computing kpt #: 254 total cpu time spent up to now is 157.0 secs Computing kpt #: 255 total cpu time spent up to now is 157.6 secs Computing kpt #: 256 total cpu time spent up to now is 158.1 secs Computing kpt #: 257 total cpu time spent up to now is 158.6 secs Computing kpt #: 258 total cpu time spent up to now is 159.1 secs Computing kpt #: 259 total cpu time spent up to now is 159.6 secs Computing kpt #: 260 total cpu time spent up to now is 160.1 secs Computing kpt #: 261 total cpu time spent up to now is 160.6 secs Computing kpt #: 262 total cpu time spent up to now is 161.1 secs Computing kpt #: 263 total cpu time spent up to now is 161.5 secs Computing kpt #: 264 total cpu time spent up to now is 162.0 secs Computing kpt #: 265 total cpu time spent up to now is 162.5 secs Computing kpt #: 266 total cpu time spent up to now is 162.9 secs Computing kpt #: 267 total cpu time spent up to now is 163.4 secs Computing kpt #: 268 total cpu time spent up to now is 163.8 secs Computing kpt #: 269 total cpu time spent up to now is 164.3 secs Computing kpt #: 270 total cpu time spent up to now is 164.7 secs Computing kpt #: 271 total cpu time spent up to now is 165.2 secs Computing kpt #: 272 total cpu time spent up to now is 165.6 secs Computing kpt #: 273 total cpu time spent up to now is 166.1 secs Computing kpt #: 274 total cpu time spent up to now is 166.6 secs Computing kpt #: 275 total cpu time spent up to now is 167.1 secs Computing kpt #: 276 total cpu time spent up to now is 167.5 secs Computing kpt #: 277 total cpu time spent up to now is 168.0 secs Computing kpt #: 278 total cpu time spent up to now is 168.5 secs Computing kpt #: 279 total cpu time spent up to now is 169.0 secs Computing kpt #: 280 total cpu time spent up to now is 169.5 secs Computing kpt #: 281 total cpu time spent up to now is 170.0 secs Computing kpt #: 282 total cpu time spent up to now is 170.5 secs Computing kpt #: 283 total cpu time spent up to now is 171.1 secs Computing kpt #: 284 total cpu time spent up to now is 171.7 secs Computing kpt #: 285 total cpu time spent up to now is 172.4 secs Computing kpt #: 286 total cpu time spent up to now is 173.0 secs Computing kpt #: 287 total cpu time spent up to now is 173.7 secs Computing kpt #: 288 total cpu time spent up to now is 174.3 secs Computing kpt #: 289 total cpu time spent up to now is 174.9 secs Computing kpt #: 290 total cpu time spent up to now is 175.5 secs Computing kpt #: 291 total cpu time spent up to now is 176.2 secs Computing kpt #: 292 total cpu time spent up to now is 176.8 secs Computing kpt #: 293 total cpu time spent up to now is 177.5 secs Computing kpt #: 294 total cpu time spent up to now is 178.2 secs Computing kpt #: 295 total cpu time spent up to now is 179.1 secs Computing kpt #: 296 total cpu time spent up to now is 180.1 secs Computing kpt #: 297 total cpu time spent up to now is 180.9 secs Computing kpt #: 298 total cpu time spent up to now is 181.7 secs Computing kpt #: 299 total cpu time spent up to now is 182.5 secs Computing kpt #: 300 total cpu time spent up to now is 183.3 secs Computing kpt #: 301 total cpu time spent up to now is 184.1 secs Computing kpt #: 302 total cpu time spent up to now is 184.8 secs Computing kpt #: 303 total cpu time spent up to now is 185.5 secs Computing kpt #: 304 total cpu time spent up to now is 186.2 secs Computing kpt #: 305 total cpu time spent up to now is 187.0 secs Computing kpt #: 306 total cpu time spent up to now is 187.7 secs Computing kpt #: 307 total cpu time spent up to now is 188.5 secs Computing kpt #: 308 total cpu time spent up to now is 189.3 secs Computing kpt #: 309 total cpu time spent up to now is 190.0 secs Computing kpt #: 310 total cpu time spent up to now is 190.7 secs Computing kpt #: 311 total cpu time spent up to now is 191.5 secs Computing kpt #: 312 total cpu time spent up to now is 192.3 secs Computing kpt #: 313 total cpu time spent up to now is 193.0 secs Computing kpt #: 314 total cpu time spent up to now is 193.8 secs Computing kpt #: 315 total cpu time spent up to now is 194.5 secs Computing kpt #: 316 total cpu time spent up to now is 195.2 secs Computing kpt #: 317 total cpu time spent up to now is 195.8 secs ethr = 2.17E-08, avg # of iterations = 24.0 total cpu time spent up to now is 195.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): 4.1787 4.1787 4.1787 4.1787 4.3435 4.3435 4.3435 4.3435 4.4605 4.4605 4.7714 4.7714 5.0058 5.0058 5.0058 5.0058 5.3235 5.3235 5.5640 5.5640 5.5640 5.5640 7.7007 7.7007 7.7007 7.7007 8.1923 8.1923 8.4830 8.4830 8.4830 8.4830 9.5448 9.5448 9.5448 9.5448 10.2187 10.2187 10.3503 10.3503 10.3503 10.3503 16.2128 16.2128 16.8960 16.8960 17.0730 17.0730 18.0916 18.0916 18.0916 18.0916 18.1856 18.1856 18.5823 18.5823 k = 0.0104-0.0060 0.0085 ( 2653 PWs) bands (ev): 4.1787 4.1787 4.1789 4.1789 4.3432 4.3432 4.3436 4.3436 4.4623 4.4623 4.7714 4.7714 5.0054 5.0054 5.0057 5.0057 5.3232 5.3232 5.5630 5.5630 5.5640 5.5640 7.7009 7.7009 7.7016 7.7016 8.1929 8.1929 8.4826 8.4826 8.4831 8.4831 9.5438 9.5438 9.5444 9.5444 10.2180 10.2180 10.3490 10.3490 10.3502 10.3502 16.2111 16.2111 16.8590 16.8590 17.0890 17.0890 18.0392 18.0392 18.0873 18.0873 18.1817 18.1817 18.6160 18.6160 k = 0.0208-0.0120 0.0170 ( 2653 PWs) bands (ev): 4.1793 4.1793 4.1804 4.1804 4.3422 4.3422 4.3438 4.3438 4.4679 4.4679 4.7713 4.7713 5.0054 5.0054 5.0061 5.0061 5.3231 5.3231 5.5598 5.5598 5.5639 5.5639 7.7017 7.7017 7.7046 7.7046 8.1947 8.1947 8.4816 8.4816 8.4838 8.4838 9.5411 9.5411 9.5434 9.5434 10.2156 10.2156 10.3452 10.3452 10.3497 10.3497 16.2061 16.2061 16.7782 16.7782 17.1045 17.1045 17.9188 17.9188 18.0805 18.0805 18.1763 18.1763 18.6638 18.6638 k = 0.0312-0.0180 0.0255 ( 2661 PWs) bands (ev): 4.1802 4.1802 4.1827 4.1827 4.3407 4.3407 4.3442 4.3442 4.4770 4.4770 4.7713 4.7713 5.0054 5.0054 5.0065 5.0065 5.3228 5.3228 5.5546 5.5546 5.5637 5.5637 7.7030 7.7030 7.7095 7.7095 8.1977 8.1977 8.4800 8.4800 8.4849 8.4849 9.5366 9.5366 9.5417 9.5417 10.2118 10.2118 10.3389 10.3389 10.3489 10.3489 16.1980 16.1980 16.6813 16.6813 17.0887 17.0887 17.7715 17.7715 18.0795 18.0795 18.1808 18.1808 18.7039 18.7039 k = 0.0417-0.0241 0.0340 ( 2661 PWs) bands (ev): 4.1817 4.1817 4.1861 4.1861 4.3388 4.3388 4.3447 4.3447 4.4897 4.4897 4.7712 4.7712 5.0054 5.0054 5.0073 5.0073 5.3225 5.3225 5.5474 5.5474 5.5634 5.5634 7.7047 7.7047 7.7165 7.7165 8.2021 8.2021 8.4778 8.4778 8.4866 8.4866 9.5303 9.5303 9.5394 9.5394 10.2065 10.2065 10.3302 10.3302 10.3479 10.3479 16.1870 16.1870 16.5777 16.5777 17.0346 17.0346 17.6138 17.6138 18.0721 18.0721 18.2127 18.2127 18.7495 18.7495 k = 0.0521-0.0301 0.0425 ( 2661 PWs) bands (ev): 4.1835 4.1835 4.1903 4.1903 4.3365 4.3365 4.3453 4.3453 4.5059 4.5059 4.7712 4.7712 5.0055 5.0055 5.0083 5.0083 5.3222 5.3222 5.5381 5.5381 5.5631 5.5631 7.7069 7.7069 7.7254 7.7254 8.2077 8.2077 8.4750 8.4750 8.4887 8.4887 9.5223 9.5223 9.5365 9.5365 10.1997 10.1997 10.3190 10.3190 10.3466 10.3466 16.1735 16.1735 16.4714 16.4714 16.9482 16.9482 17.4518 17.4518 18.0402 18.0402 18.2800 18.2800 18.8045 18.8045 k = 0.0625-0.0361 0.0510 ( 2665 PWs) bands (ev): 4.1858 4.1858 4.1954 4.1954 4.3338 4.3338 4.3460 4.3460 4.5254 4.5254 4.7711 4.7711 5.0056 5.0056 5.0096 5.0096 5.3218 5.3218 5.5267 5.5267 5.5627 5.5627 7.7094 7.7094 7.7363 7.7363 8.2148 8.2148 8.4717 8.4717 8.4911 8.4911 9.5127 9.5127 9.5328 9.5328 10.1915 10.1915 10.3056 10.3056 10.3451 10.3451 16.1579 16.1579 16.3642 16.3642 16.8390 16.8390 17.2878 17.2878 17.9794 17.9794 18.3698 18.3698 18.8697 18.8697 k = 0.0729-0.0421 0.0595 ( 2665 PWs) bands (ev): 4.1885 4.1885 4.2013 4.2013 4.3309 4.3309 4.3469 4.3469 4.5482 4.5482 4.7712 4.7712 5.0058 5.0058 5.0111 5.0111 5.3214 5.3214 5.5137 5.5137 5.5622 5.5622 7.7121 7.7121 7.7491 7.7491 8.2234 8.2234 8.4677 8.4677 8.4940 8.4940 9.5015 9.5015 9.5286 9.5286 10.1821 10.1821 10.2900 10.2900 10.3433 10.3433 16.1405 16.1405 16.2569 16.2569 16.7154 16.7154 17.1233 17.1233 17.8891 17.8891 18.4666 18.4666 18.9144 18.9144 k = 0.0833-0.0481 0.0680 ( 2661 PWs) bands (ev): 4.1916 4.1916 4.2081 4.2081 4.3276 4.3276 4.3479 4.3479 4.5743 4.5743 4.7715 4.7715 5.0061 5.0061 5.0128 5.0128 5.3209 5.3209 5.4989 5.4989 5.5617 5.5617 7.7150 7.7150 7.7638 7.7638 8.2335 8.2335 8.4632 8.4632 8.4972 8.4972 9.4889 9.4889 9.5236 9.5236 10.1714 10.1714 10.2724 10.2724 10.3413 10.3413 16.1217 16.1217 16.1498 16.1498 16.5833 16.5833 16.9590 16.9590 17.7715 17.7715 18.5577 18.5577 18.9678 18.9678 k = 0.0938-0.0541 0.0765 ( 2661 PWs) bands (ev): 4.1950 4.1950 4.2155 4.2155 4.3239 4.3239 4.3488 4.3488 4.6035 4.6035 4.7718 4.7718 5.0065 5.0065 5.0147 5.0147 5.3204 5.3204 5.4830 5.4830 5.5610 5.5610 7.7179 7.7179 7.7804 7.7804 8.2452 8.2452 8.4582 8.4582 8.5009 8.5009 9.4749 9.4749 9.5180 9.5180 10.1596 10.1596 10.2529 10.2529 10.3391 10.3391 16.0426 16.0426 16.1019 16.1019 16.4467 16.4467 16.7953 16.7953 17.6314 17.6314 18.6369 18.6369 19.0630 19.0630 k = 0.1042-0.0601 0.0851 ( 2653 PWs) bands (ev): 4.1989 4.1989 4.2235 4.2235 4.3201 4.3201 4.3499 4.3499 4.6356 4.6356 4.7728 4.7728 5.0072 5.0072 5.0169 5.0169 5.3201 5.3201 5.4650 5.4650 5.5604 5.5604 7.7207 7.7207 7.7989 7.7989 8.2587 8.2587 8.4528 8.4528 8.5048 8.5048 9.4596 9.4596 9.5117 9.5117 10.1469 10.1469 10.2316 10.2316 10.3368 10.3368 15.9346 15.9346 16.0813 16.0813 16.3085 16.3085 16.6326 16.6326 17.4747 17.4747 18.7074 18.7074 19.1915 19.1915 k = 0.1146-0.0662 0.0936 ( 2645 PWs) bands (ev): 4.2030 4.2030 4.2319 4.2319 4.3161 4.3161 4.3514 4.3514 4.6701 4.6701 4.7749 4.7749 5.0080 5.0080 5.0192 5.0192 5.3196 5.3196 5.4458 5.4458 5.5597 5.5597 7.7234 7.7234 7.8191 7.8191 8.2739 8.2739 8.4469 8.4469 8.5090 8.5090 9.4432 9.4432 9.5048 9.5048 10.1333 10.1333 10.2088 10.2088 10.3344 10.3344 15.8248 15.8248 16.0598 16.0598 16.1710 16.1710 16.4716 16.4716 17.3066 17.3066 18.7755 18.7755 19.3338 19.3338 k = 0.1250-0.0722 0.1021 ( 2637 PWs) bands (ev): 4.2076 4.2076 4.2408 4.2408 4.3118 4.3118 4.3526 4.3526 4.7052 4.7052 4.7795 4.7795 5.0093 5.0093 5.0217 5.0217 5.3192 5.3192 5.4250 5.4250 5.5590 5.5590 7.7259 7.7259 7.8412 7.8412 8.2908 8.2908 8.4407 8.4407 8.5133 8.5133 9.4257 9.4257 9.4972 9.4972 10.1189 10.1189 10.1846 10.1846 10.3318 10.3318 15.7118 15.7118 16.0358 16.0358 16.0370 16.0370 16.3132 16.3132 17.1314 17.1314 18.8457 18.8457 19.4487 19.4487 k = 0.1354-0.0782 0.1106 ( 2633 PWs) bands (ev): 4.2123 4.2123 4.2499 4.2499 4.3074 4.3074 4.3539 4.3539 4.7358 4.7358 4.7919 4.7919 5.0108 5.0108 5.0242 5.0242 5.3187 5.3187 5.4032 5.4032 5.5582 5.5582 7.7280 7.7280 7.8649 7.8649 8.3092 8.3092 8.4345 8.4345 8.5177 8.5177 9.4073 9.4073 9.4890 9.4890 10.1039 10.1039 10.1593 10.1593 10.3291 10.3291 15.5941 15.5941 15.9041 15.9041 16.0089 16.0089 16.1615 16.1615 16.9530 16.9530 18.9199 18.9199 19.5640 19.5640 k = 0.1458-0.0842 0.1191 ( 2633 PWs) bands (ev): 4.2173 4.2173 4.2590 4.2590 4.3029 4.3029 4.3551 4.3551 4.7527 4.7527 4.8207 4.8207 5.0132 5.0132 5.0268 5.0268 5.3182 5.3182 5.3803 5.3803 5.5574 5.5574 7.7298 7.7298 7.8903 7.8903 8.3289 8.3289 8.4285 8.4285 8.5223 8.5223 9.3882 9.3882 9.4801 9.4801 10.0884 10.0884 10.1329 10.1329 10.3263 10.3263 15.4707 15.4707 15.7763 15.7763 15.9465 15.9465 16.0459 16.0459 16.7747 16.7747 18.9991 18.9991 19.6684 19.6684 k = 0.1562-0.0902 0.1276 ( 2629 PWs) bands (ev): 4.2228 4.2228 4.2674 4.2674 4.2991 4.2991 4.3562 4.3562 4.7594 4.7594 4.8619 4.8619 5.0170 5.0170 5.0295 5.0295 5.3177 5.3177 5.3565 5.3565 5.5566 5.5566 7.7311 7.7311 7.9173 7.9173 8.3490 8.3490 8.4238 8.4238 8.5268 8.5268 9.3684 9.3684 9.4706 9.4706 10.0726 10.0726 10.1059 10.1059 10.3235 10.3235 15.3414 15.3414 15.6511 15.6511 15.8143 15.8143 16.0022 16.0022 16.6000 16.6000 19.0835 19.0835 19.7641 19.7641 k = 0.1667-0.0962 0.1361 ( 2629 PWs) bands (ev): 4.2283 4.2283 4.2732 4.2732 4.2978 4.2978 4.3572 4.3572 4.7624 4.7624 4.9070 4.9070 5.0241 5.0241 5.0323 5.0323 5.3170 5.3170 5.3324 5.3324 5.5557 5.5557 7.7320 7.7320 7.9459 7.9459 8.3664 8.3664 8.4232 8.4232 8.5315 8.5315 9.3481 9.3481 9.4604 9.4604 10.0566 10.0566 10.0783 10.0783 10.3207 10.3207 15.2065 15.2065 15.5263 15.5263 15.6640 15.6640 15.9787 15.9787 16.4320 16.4320 19.1732 19.1732 19.8606 19.8606 k = 0.1771-0.1022 0.1446 ( 2613 PWs) bands (ev): 4.2340 4.2340 4.2738 4.2738 4.3019 4.3019 4.3586 4.3586 4.7648 4.7648 4.9489 4.9489 5.0352 5.0352 5.0391 5.0391 5.3056 5.3056 5.3185 5.3185 5.5551 5.5551 7.7324 7.7324 7.9758 7.9758 8.3753 8.3753 8.4329 8.4329 8.5360 8.5360 9.3275 9.3275 9.4498 9.4498 10.0406 10.0406 10.0504 10.0504 10.3179 10.3179 15.0671 15.0671 15.3988 15.3988 15.5119 15.5119 15.9596 15.9596 16.2742 16.2742 19.2681 19.2681 19.9606 19.9606 k = 0.1875-0.1083 0.1531 ( 2613 PWs) bands (ev): 4.2399 4.2399 4.2698 4.2698 4.3100 4.3100 4.3594 4.3594 4.7664 4.7664 4.9776 4.9776 5.0380 5.0380 5.0712 5.0712 5.2807 5.2807 5.3177 5.3177 5.5543 5.5543 7.7323 7.7323 8.0071 8.0071 8.3743 8.3743 8.4541 8.4541 8.5403 8.5403 9.3066 9.3066 9.4385 9.4385 10.0225 10.0225 10.0246 10.0246 10.3151 10.3151 14.9240 14.9240 15.2656 15.2656 15.3603 15.3603 15.9425 15.9425 16.1295 16.1295 19.3681 19.3681 20.0650 20.0650 k = 0.1979-0.1143 0.1616 ( 2613 PWs) bands (ev): 4.2460 4.2460 4.2639 4.2639 4.3198 4.3198 4.3600 4.3600 4.7679 4.7679 4.9917 4.9917 5.0408 5.0408 5.1215 5.1215 5.2550 5.2550 5.3176 5.3176 5.5535 5.5535 7.7318 7.7318 8.0396 8.0396 8.3683 8.3683 8.4818 8.4818 8.5445 8.5445 9.2857 9.2857 9.4268 9.4268 9.9947 9.9947 10.0089 10.0089 10.3123 10.3123 14.7779 14.7779 15.1246 15.1246 15.2100 15.2100 15.9269 15.9269 15.9999 15.9999 19.4729 19.4729 20.1737 20.1737 k = 0.2083-0.1203 0.1701 ( 2613 PWs) bands (ev): 4.2522 4.2522 4.2571 4.2571 4.3302 4.3302 4.3604 4.3604 4.7694 4.7694 4.9992 4.9992 5.0435 5.0435 5.1820 5.1820 5.2292 5.2292 5.3176 5.3176 5.5528 5.5528 7.7308 7.7308 8.0731 8.0731 8.3602 8.3602 8.5132 8.5132 8.5486 8.5486 9.2649 9.2649 9.4146 9.4146 9.9673 9.9673 9.9935 9.9935 10.3096 10.3096 14.6293 14.6293 14.9754 14.9754 15.0611 15.0611 15.8861 15.8861 15.9124 15.9124 19.5825 19.5825 20.2870 20.2870 k = 0.2188-0.1263 0.1786 ( 2613 PWs) bands (ev): 4.2496 4.2496 4.2585 4.2585 4.3409 4.3409 4.3606 4.3606 4.7709 4.7709 5.0042 5.0042 5.0462 5.0462 5.2036 5.2036 5.2481 5.2481 5.3178 5.3178 5.5523 5.5523 7.7294 7.7294 8.1075 8.1075 8.3510 8.3510 8.5470 8.5470 8.5524 8.5524 9.2443 9.2443 9.4020 9.4020 9.9405 9.9405 9.9786 9.9786 10.3070 10.3070 14.4779 14.4779 14.8194 14.8194 14.9139 14.9139 15.7874 15.7874 15.8991 15.8991 19.6966 19.6966 20.4046 20.4046 k = 0.2292-0.1323 0.1871 ( 2614 PWs) bands (ev): 4.2418 4.2418 4.2650 4.2650 4.3516 4.3516 4.3602 4.3602 4.7724 4.7724 5.0083 5.0083 5.0488 5.0488 5.1778 5.1778 5.3182 5.3182 5.3184 5.3184 5.5521 5.5521 7.7277 7.7277 8.1426 8.1426 8.3414 8.3414 8.5560 8.5560 8.5828 8.5828 9.2240 9.2240 9.3892 9.3892 9.9144 9.9144 9.9643 9.9643 10.3045 10.3045 14.3236 14.3236 14.6589 14.6589 14.7686 14.7686 15.7020 15.7020 15.8869 15.8869 19.8152 19.8152 20.5265 20.5265 k = 0.2396-0.1383 0.1956 ( 2614 PWs) bands (ev): 4.2336 4.2336 4.2714 4.2714 4.3598 4.3598 4.3621 4.3621 4.7741 4.7741 5.0120 5.0120 5.0509 5.0509 5.1531 5.1531 5.3190 5.3190 5.3909 5.3909 5.5527 5.5527 7.7255 7.7255 8.1782 8.1782 8.3313 8.3313 8.5594 8.5594 8.6201 8.6201 9.2043 9.2043 9.3761 9.3761 9.8894 9.8894 9.9506 9.9506 10.3022 10.3022 14.1658 14.1658 14.4968 14.4968 14.6252 14.6252 15.6281 15.6281 15.8757 15.8757 19.9380 19.9380 20.6525 20.6525 k = 0.2500-0.1443 0.2041 ( 2610 PWs) bands (ev): 4.2252 4.2252 4.2779 4.2779 4.3591 4.3591 4.3725 4.3725 4.7759 4.7759 5.0157 5.0157 5.0525 5.0525 5.1295 5.1295 5.3197 5.3197 5.4640 5.4640 5.5561 5.5561 7.7231 7.7231 8.2139 8.2139 8.3209 8.3209 8.5629 8.5629 8.6588 8.6588 9.1853 9.1853 9.3629 9.3629 9.8656 9.8656 9.9378 9.9378 10.3001 10.3001 14.0040 14.0040 14.3358 14.3358 14.4838 14.4838 15.5637 15.5637 15.8654 15.8654 20.0649 20.0649 20.7826 20.7826 k = 0.2604-0.1504 0.2126 ( 2618 PWs) bands (ev): 4.2166 4.2166 4.2843 4.2843 4.3579 4.3579 4.3824 4.3824 4.7778 4.7778 5.0193 5.0193 5.0526 5.0526 5.1076 5.1076 5.3204 5.3204 5.5216 5.5216 5.5779 5.5779 7.7204 7.7204 8.2494 8.2494 8.3104 8.3104 8.5664 8.5664 8.6984 8.6984 9.1670 9.1670 9.3497 9.3497 9.8431 9.8431 9.9258 9.9258 10.2982 10.2982 13.8378 13.8378 14.1783 14.1783 14.3445 14.3445 15.5071 15.5071 15.8561 15.8561 20.1957 20.1957 20.9166 20.9166 k = 0.2708-0.1564 0.2211 ( 2630 PWs) bands (ev): 4.2078 4.2078 4.2907 4.2907 4.3561 4.3561 4.3922 4.3922 4.7796 4.7796 5.0231 5.0231 5.0495 5.0495 5.0894 5.0894 5.3213 5.3213 5.5370 5.5370 5.6445 5.6445 7.7175 7.7175 8.2841 8.2841 8.2998 8.2998 8.5701 8.5701 8.7388 8.7388 9.1497 9.1497 9.3368 9.3368 9.8220 9.8220 9.9149 9.9149 10.2966 10.2966 13.6676 13.6676 14.0256 14.0256 14.2075 14.2075 15.4572 15.4572 15.8476 15.8476 20.3304 20.3304 21.0545 21.0545 k = 0.2812-0.1624 0.2296 ( 2630 PWs) bands (ev): 4.1990 4.1990 4.2971 4.2971 4.3540 4.3540 4.4016 4.4016 4.7816 4.7816 5.0272 5.0272 5.0397 5.0397 5.0789 5.0789 5.3225 5.3225 5.5396 5.5396 5.7265 5.7265 7.7144 7.7144 8.2892 8.2892 8.3177 8.3177 8.5746 8.5746 8.7797 8.7797 9.1335 9.1335 9.3242 9.3242 9.8026 9.8026 9.9051 9.9051 10.2953 10.2953 13.4940 13.4940 13.8783 13.8783 14.0729 14.0729 15.4128 15.4128 15.8400 15.8400 20.4687 20.4687 21.1960 21.1960 k = 0.2917-0.1684 0.2381 ( 2614 PWs) bands (ev): 4.1902 4.1902 4.3033 4.3033 4.3519 4.3519 4.4107 4.4107 4.7840 4.7840 5.0240 5.0240 5.0316 5.0316 5.0757 5.0757 5.3239 5.3239 5.5401 5.5401 5.8129 5.8129 7.7112 7.7112 8.2787 8.2787 8.3493 8.3493 8.5802 8.5802 8.8207 8.8207 9.1187 9.1187 9.3123 9.3123 9.7849 9.7849 9.8965 9.8965 10.2943 10.2943 13.3182 13.3182 13.7366 13.7366 13.9408 13.9408 15.3732 15.3732 15.8332 15.8332 20.6105 20.6105 21.3411 21.3411 k = 0.3021-0.1744 0.2467 ( 2626 PWs) bands (ev): 4.1813 4.1813 4.3094 4.3094 4.3489 4.3489 4.4191 4.4191 4.7862 4.7862 5.0057 5.0057 5.0359 5.0359 5.0754 5.0754 5.3254 5.3254 5.5396 5.5396 5.9020 5.9020 7.7078 7.7078 8.2682 8.2682 8.3782 8.3782 8.5872 8.5872 8.8611 8.8611 9.1052 9.1052 9.3012 9.3012 9.7690 9.7690 9.8892 9.8892 10.2937 10.2937 13.1415 13.1415 13.6001 13.6001 13.8113 13.8113 15.3376 15.3376 15.8271 15.8271 20.7557 20.7557 21.4896 21.4896 k = 0.3125-0.1804 0.2552 ( 2626 PWs) bands (ev): 4.1725 4.1725 4.3154 4.3154 4.3456 4.3456 4.4272 4.4272 4.7884 4.7884 4.9873 4.9873 5.0406 5.0406 5.0763 5.0763 5.3270 5.3270 5.5391 5.5391 5.9931 5.9931 7.7044 7.7044 8.2579 8.2579 8.4034 8.4034 8.5965 8.5965 8.9004 8.9004 9.0934 9.0934 9.2915 9.2915 9.7548 9.7548 9.8834 9.8834 10.2936 10.2936 12.9652 12.9652 13.4684 13.4684 13.6846 13.6846 15.3057 15.3057 15.8217 15.8217 20.9042 20.9042 21.6415 21.6415 k = 0.3229-0.1864 0.2637 ( 2626 PWs) bands (ev): 4.1639 4.1639 4.3212 4.3212 4.3418 4.3418 4.4349 4.4349 4.7906 4.7906 4.9697 4.9697 5.0454 5.0454 5.0776 5.0776 5.3287 5.3287 5.5386 5.5386 6.0859 6.0859 7.7010 7.7010 8.2478 8.2478 8.4244 8.4244 8.6081 8.6081 8.9379 8.9379 9.0834 9.0834 9.2836 9.2836 9.7425 9.7425 9.8790 9.8790 10.2941 10.2941 12.7905 12.7905 13.3414 13.3414 13.5609 13.5609 15.2770 15.2770 15.8168 15.8168 21.0557 21.0557 21.7967 21.7967 k = 0.3333-0.1925 0.2722 ( 2626 PWs) bands (ev): 4.1554 4.1554 4.3268 4.3268 4.3376 4.3376 4.4420 4.4420 4.7928 4.7928 4.9530 4.9530 5.0503 5.0503 5.0790 5.0790 5.3305 5.3305 5.5381 5.5381 6.1800 6.1800 7.6975 7.6975 8.2380 8.2380 8.4410 8.4410 8.6220 8.6220 8.9726 8.9726 9.0754 9.0754 9.2781 9.2781 9.7319 9.7319 9.8764 9.8764 10.2951 10.2951 12.6184 12.6184 13.2189 13.2189 13.4403 13.4403 15.2511 15.2511 15.8126 15.8126 21.2102 21.2102 21.9549 21.9549 k = 0.3438-0.1985 0.2807 ( 2618 PWs) bands (ev): 4.1472 4.1472 4.3321 4.3321 4.3334 4.3334 4.4485 4.4485 4.7953 4.7953 4.9376 4.9376 5.0552 5.0552 5.0805 5.0805 5.3323 5.3323 5.5376 5.5376 6.2750 6.2750 7.6941 7.6941 8.2285 8.2285 8.4536 8.4536 8.6376 8.6376 9.0035 9.0035 9.0695 9.0695 9.2759 9.2759 9.7230 9.7230 9.8754 9.8754 10.2969 10.2969 12.4500 12.4500 13.1009 13.1009 13.3231 13.3231 15.2278 15.2278 15.8089 15.8089 21.3676 21.3676 22.1162 22.1162 k = 0.3542-0.2045 0.2892 ( 2618 PWs) bands (ev): 4.1392 4.1392 4.3284 4.3284 4.3374 4.3374 4.4546 4.4546 4.7974 4.7974 4.9233 4.9233 5.0602 5.0602 5.0819 5.0819 5.3342 5.3342 5.5370 5.5370 6.3704 6.3704 7.6908 7.6908 8.2194 8.2194 8.4630 8.4630 8.6537 8.6537 9.0292 9.0292 9.0657 9.0657 9.2778 9.2778 9.7158 9.7158 9.8763 9.8763 10.2994 10.2994 12.2861 12.2861 12.9873 12.9873 13.2096 13.2096 15.2069 15.2069 15.8057 15.8057 21.5276 21.5276 22.2804 22.2804 k = 0.3646-0.2105 0.2977 ( 2602 PWs) bands (ev): 4.1318 4.1318 4.3236 4.3236 4.3423 4.3423 4.4602 4.4602 4.7997 4.7997 4.9104 4.9104 5.0652 5.0652 5.0832 5.0832 5.3361 5.3361 5.5370 5.5370 6.4658 6.4658 7.6875 7.6875 8.2107 8.2107 8.4703 8.4703 8.6693 8.6693 9.0490 9.0490 9.0638 9.0638 9.2844 9.2844 9.7100 9.7100 9.8792 9.8792 10.3027 10.3027 12.1279 12.1279 12.8784 12.8784 13.1001 13.1001 15.1882 15.1882 15.8030 15.8030 21.6902 21.6902 22.4474 22.4474 k = 0.3750-0.2165 0.3062 ( 2606 PWs) bands (ev): 4.1245 4.1245 4.3184 4.3184 4.3468 4.3468 4.4651 4.4651 4.8017 4.8017 4.8985 4.8985 5.0700 5.0700 5.0845 5.0845 5.3381 5.3381 5.5365 5.5365 6.5605 6.5605 7.6844 7.6844 8.2024 8.2024 8.4762 8.4762 8.6836 8.6836 9.0625 9.0625 9.0636 9.0636 9.2954 9.2954 9.7054 9.7054 9.8839 9.8839 10.3071 10.3071 11.9761 11.9761 12.7743 12.7743 12.9948 12.9948 15.1713 15.1713 15.8006 15.8006 21.8551 21.8551 22.6171 22.6171 k = 0.3854-0.2225 0.3147 ( 2606 PWs) bands (ev): 4.1176 4.1176 4.3130 4.3130 4.3512 4.3512 4.4699 4.4699 4.8035 4.8035 4.8876 4.8876 5.0749 5.0749 5.0858 5.0858 5.3400 5.3400 5.5360 5.5360 6.6539 6.6539 7.6814 7.6814 8.1946 8.1946 8.4816 8.4816 8.6961 8.6961 9.0644 9.0644 9.0705 9.0705 9.3099 9.3099 9.7019 9.7019 9.8903 9.8903 10.3124 10.3124 11.8319 11.8319 12.6754 12.6754 12.8943 12.8943 15.1563 15.1563 15.7985 15.7985 22.0223 22.0223 22.7894 22.7894 k = 0.3958-0.2285 0.3232 ( 2606 PWs) bands (ev): 4.1111 4.1111 4.3078 4.3078 4.3552 4.3552 4.4740 4.4740 4.8053 4.8053 4.8781 4.8781 5.0795 5.0795 5.0869 5.0869 5.3418 5.3418 5.5355 5.5355 6.7451 6.7451 7.6786 7.6786 8.1874 8.1874 8.4871 8.4871 8.7067 8.7067 9.0654 9.0654 9.0741 9.0741 9.3265 9.3265 9.6992 9.6992 9.8984 9.8984 10.3189 10.3189 11.6964 11.6964 12.5820 12.5820 12.7989 12.7989 15.1429 15.1429 15.7968 15.7968 22.1915 22.1915 22.9643 22.9643 k = 0.4062-0.2345 0.3317 ( 2598 PWs) bands (ev): 4.1052 4.1052 4.3027 4.3027 4.3588 4.3588 4.4779 4.4779 4.8070 4.8070 4.8697 4.8697 5.0841 5.0841 5.0880 5.0880 5.3436 5.3436 5.5351 5.5351 6.8333 6.8333 7.6760 7.6760 8.1807 8.1807 8.4932 8.4932 8.7157 8.7157 9.0657 9.0657 9.0748 9.0748 9.3435 9.3435 9.6971 9.6971 9.9077 9.9077 10.3264 10.3264 11.5707 11.5707 12.4946 12.4946 12.7093 12.7093 15.1311 15.1311 15.7953 15.7953 22.3625 22.3625 23.1415 23.1415 k = 0.4167-0.2406 0.3402 ( 2598 PWs) bands (ev): 4.0997 4.0997 4.2979 4.2979 4.3621 4.3621 4.4811 4.4811 4.8086 4.8086 4.8624 4.8624 5.0881 5.0881 5.0888 5.0888 5.3452 5.3452 5.5347 5.5347 6.9174 6.9174 7.6736 7.6736 8.1746 8.1746 8.5002 8.5002 8.7236 8.7236 9.0644 9.0644 9.0735 9.0735 9.3599 9.3599 9.6951 9.6951 9.9179 9.9179 10.3350 10.3350 11.4558 11.4558 12.4136 12.4136 12.6259 12.6259 15.1208 15.1208 15.7941 15.7941 22.5351 22.5351 23.3211 23.3211 k = 0.4271-0.2466 0.3487 ( 2618 PWs) bands (ev): 4.0947 4.0947 4.2933 4.2933 4.3649 4.3649 4.4836 4.4836 4.8098 4.8098 4.8560 4.8560 5.0893 5.0893 5.0916 5.0916 5.3465 5.3465 5.5342 5.5342 6.9961 6.9961 7.6714 7.6714 8.1691 8.1691 8.5082 8.5082 8.7308 8.7308 9.0605 9.0605 9.0711 9.0711 9.3748 9.3748 9.6931 9.6931 9.9284 9.9284 10.3444 10.3444 11.3529 11.3529 12.3398 12.3398 12.5495 12.5495 15.1119 15.1119 15.7930 15.7930 22.7089 22.7089 23.5030 23.5030 k = 0.4375-0.2526 0.3572 ( 2610 PWs) bands (ev): 4.0905 4.0905 4.2894 4.2894 4.3675 4.3675 4.4860 4.4860 4.8112 4.8112 4.8508 4.8508 5.0899 5.0899 5.0949 5.0949 5.3479 5.3479 5.5341 5.5341 7.0683 7.0683 7.6695 7.6695 8.1644 8.1644 8.5173 8.5173 8.7381 8.7381 9.0535 9.0535 9.0684 9.0684 9.3878 9.3878 9.6909 9.6909 9.9388 9.9388 10.3544 10.3544 11.2629 11.2629 12.2737 12.2737 12.4809 12.4809 15.1043 15.1043 15.7922 15.7922 22.8836 22.8836 23.6869 23.6869 k = 0.4479-0.2586 0.3657 ( 2602 PWs) bands (ev): 4.0868 4.0868 4.2858 4.2858 4.3699 4.3699 4.4881 4.4881 4.8123 4.8123 4.8465 4.8465 5.0907 5.0907 5.0978 5.0978 5.3492 5.3492 5.5339 5.5339 7.1325 7.1325 7.6679 7.6679 8.1603 8.1603 8.5269 8.5269 8.7460 8.7460 9.0431 9.0431 9.0656 9.0656 9.3988 9.3988 9.6884 9.6884 9.9484 9.9484 10.3645 10.3645 11.1865 11.1865 12.2161 12.2161 12.4209 12.4209 15.0980 15.0980 15.7916 15.7916 23.0584 23.0584 23.8729 23.8729 k = 0.4583-0.2646 0.3742 ( 2602 PWs) bands (ev): 4.0837 4.0837 4.2825 4.2825 4.3718 4.3718 4.4898 4.4898 4.8130 4.8130 4.8428 4.8428 5.0913 5.0913 5.1003 5.1003 5.3504 5.3504 5.5335 5.5335 7.1874 7.1874 7.6666 7.6666 8.1569 8.1569 8.5366 8.5366 8.7548 8.7548 9.0297 9.0297 9.0630 9.0630 9.4077 9.4077 9.6858 9.6858 9.9569 9.9569 10.3740 10.3740 11.1242 11.1242 12.1676 12.1676 12.3702 12.3702 15.0929 15.0929 15.7911 15.7911 23.2324 23.2324 24.0609 24.0609 k = 0.4688-0.2706 0.3827 ( 2594 PWs) bands (ev): 4.0813 4.0813 4.2801 4.2801 4.3733 4.3733 4.4911 4.4911 4.8137 4.8137 4.8401 4.8401 5.0919 5.0919 5.1024 5.1024 5.3512 5.3512 5.5334 5.5334 7.2316 7.2316 7.6655 7.6655 8.1543 8.1543 8.5456 8.5456 8.7646 8.7646 9.0145 9.0145 9.0608 9.0608 9.4144 9.4144 9.6834 9.6834 9.9638 9.9638 10.3825 10.3825 11.0760 11.0760 12.1291 12.1291 12.3297 12.3297 15.0889 15.0889 15.7907 15.7907 23.4035 23.4035 24.2505 24.2505 k = 0.4792-0.2766 0.3912 ( 2586 PWs) bands (ev): 4.0796 4.0796 4.2783 4.2783 4.3744 4.3744 4.4923 4.4923 4.8142 4.8142 4.8382 4.8382 5.0922 5.0922 5.1040 5.1040 5.3519 5.3519 5.5332 5.5332 7.2641 7.2641 7.6648 7.6648 8.1524 8.1524 8.5528 8.5528 8.7744 8.7744 8.9998 8.9998 9.0592 9.0592 9.4192 9.4192 9.6813 9.6813 9.9690 9.9690 10.3891 10.3891 11.0419 11.0419 12.1010 12.1010 12.3002 12.3002 15.0861 15.0861 15.7904 15.7904 23.5669 23.5669 24.3881 24.3881 k = 0.4896-0.2827 0.3997 ( 2586 PWs) bands (ev): 4.0786 4.0786 4.2773 4.2773 4.3750 4.3750 4.4928 4.4928 4.8145 4.8145 4.8370 4.8370 5.0924 5.0924 5.1048 5.1048 5.3522 5.3522 5.5332 5.5332 7.2839 7.2839 7.6643 7.6643 8.1513 8.1513 8.5575 8.5575 8.7820 8.7820 8.9886 8.9886 9.0581 9.0581 9.4220 9.4220 9.6800 9.6800 9.9721 9.9721 10.3933 10.3933 11.0216 11.0216 12.0839 12.0839 12.2822 12.2822 15.0845 15.0845 15.7903 15.7903 23.7076 23.7076 24.2569 24.2569 k = 0.5000-0.2887 0.4082 ( 2586 PWs) bands (ev): 4.0783 4.0783 4.2769 4.2769 4.3752 4.3752 4.4930 4.4930 4.8146 4.8146 4.8366 4.8366 5.0924 5.0924 5.1051 5.1051 5.3523 5.3523 5.5331 5.5331 7.2906 7.2906 7.6642 7.6642 8.1509 8.1509 8.5591 8.5591 8.7850 8.7850 8.9843 8.9843 9.0578 9.0578 9.4229 9.4229 9.6795 9.6795 9.9732 9.9732 10.3948 10.3948 11.0148 11.0148 12.0782 12.0782 12.2762 12.2762 15.0839 15.0839 15.7902 15.7902 23.7742 23.7742 24.1929 24.1929 k = 0.5000-0.2887 0.4082 ( 2586 PWs) bands (ev): 4.0783 4.0783 4.2769 4.2769 4.3752 4.3752 4.4930 4.4930 4.8146 4.8146 4.8366 4.8366 5.0924 5.0924 5.1051 5.1051 5.3523 5.3523 5.5331 5.5331 7.2906 7.2906 7.6642 7.6642 8.1509 8.1509 8.5591 8.5591 8.7850 8.7850 8.9843 8.9843 9.0578 9.0578 9.4229 9.4229 9.6795 9.6795 9.9732 9.9732 10.3948 10.3948 11.0148 11.0148 12.0782 12.0782 12.2762 12.2762 15.0839 15.0839 15.7902 15.7902 23.7742 23.7742 24.1929 24.1929 k = 0.5000-0.2766 0.4168 ( 2586 PWs) bands (ev): 4.0788 4.0788 4.2771 4.2771 4.3753 4.3753 4.4928 4.4928 4.8149 4.8149 4.8369 4.8369 5.0919 5.0919 5.1050 5.1050 5.3516 5.3516 5.5325 5.5325 7.2929 7.2929 7.6643 7.6643 8.1514 8.1514 8.5569 8.5569 8.7822 8.7822 8.9765 8.9765 9.0717 9.0717 9.4224 9.4224 9.6792 9.6792 9.9730 9.9730 10.3926 10.3926 11.0141 11.0141 12.0747 12.0747 12.2706 12.2706 15.0948 15.0948 15.7983 15.7983 23.7537 23.7537 24.1585 24.1585 k = 0.5000-0.2646 0.4253 ( 2586 PWs) bands (ev): 4.0802 4.0802 4.2776 4.2776 4.3756 4.3756 4.4923 4.4923 4.8160 4.8160 4.8378 4.8378 5.0904 5.0904 5.1046 5.1046 5.3495 5.3495 5.5306 5.5306 7.2999 7.2999 7.6649 7.6649 8.1531 8.1531 8.5503 8.5503 8.7743 8.7743 8.9629 8.9629 9.1030 9.1030 9.4209 9.4209 9.6784 9.6784 9.9725 9.9725 10.3860 10.3860 11.0120 11.0120 12.0644 12.0644 12.2543 12.2543 15.1271 15.1271 15.8223 15.8223 23.6906 23.6906 24.0535 24.0535 k = 0.5000-0.2526 0.4338 ( 2598 PWs) bands (ev): 4.0827 4.0827 4.2785 4.2785 4.3758 4.3758 4.4913 4.4913 4.8178 4.8178 4.8392 4.8392 5.0875 5.0875 5.1040 5.1040 5.3457 5.3457 5.5275 5.5275 7.3116 7.3116 7.6658 7.6658 8.1558 8.1558 8.5392 8.5392 8.7624 8.7624 8.9521 8.9521 9.1419 9.1419 9.4182 9.4182 9.6770 9.6770 9.9717 9.9717 10.3750 10.3750 11.0085 11.0085 12.0477 12.0477 12.2279 12.2279 15.1800 15.1800 15.8618 15.8618 23.5829 23.5829 23.8881 23.8881 k = 0.5000-0.2406 0.4423 ( 2592 PWs) bands (ev): 4.0863 4.0863 4.2798 4.2798 4.3764 4.3764 4.4901 4.4901 4.8204 4.8204 4.8412 4.8412 5.0840 5.0840 5.1032 5.1032 5.3409 5.3409 5.5235 5.5235 7.3277 7.3277 7.6672 7.6672 8.1595 8.1595 8.5241 8.5241 8.7481 8.7481 8.9459 8.9459 9.1850 9.1850 9.4144 9.4144 9.6752 9.6752 9.9706 9.9706 10.3599 10.3599 11.0040 11.0040 12.0253 12.0253 12.1927 12.1927 15.2521 15.2521 15.9164 15.9164 23.4334 23.4334 23.6855 23.6855 k = 0.5000-0.2285 0.4508 ( 2604 PWs) bands (ev): 4.0906 4.0906 4.2812 4.2812 4.3770 4.3770 4.4885 4.4885 4.8234 4.8234 4.8438 4.8438 5.0795 5.0795 5.1024 5.1024 5.3348 5.3348 5.5176 5.5176 7.3483 7.3483 7.6689 7.6689 8.1639 8.1639 8.5052 8.5052 8.7329 8.7329 8.9436 8.9436 9.2305 9.2305 9.4092 9.4092 9.6728 9.6728 9.9691 9.9691 10.3408 10.3408 10.9983 10.9983 11.9978 11.9978 12.1503 12.1503 15.3417 15.3417 15.9852 15.9852 23.2502 23.2502 23.4636 23.4636 k = 0.5000-0.2165 0.4593 ( 2600 PWs) bands (ev): 4.0960 4.0960 4.2831 4.2831 4.3778 4.3778 4.4865 4.4865 4.8272 4.8272 4.8470 4.8470 5.0743 5.0743 5.1016 5.1016 5.3277 5.3277 5.5108 5.5108 7.3730 7.3730 7.6711 7.6711 8.1688 8.1688 8.4836 8.4836 8.7178 8.7178 8.9447 8.9447 9.2775 9.2775 9.4026 9.4026 9.6702 9.6702 9.9670 9.9670 10.3183 10.3183 10.9919 10.9919 11.9658 11.9658 12.1025 12.1025 15.4472 15.4472 16.0673 16.0673 23.0433 23.0433 23.2318 23.2318 k = 0.5000-0.2045 0.4678 ( 2598 PWs) bands (ev): 4.1023 4.1023 4.2853 4.2853 4.3785 4.3785 4.4841 4.4841 4.8314 4.8314 4.8509 4.8509 5.0685 5.0685 5.1008 5.1008 5.3195 5.3195 5.5029 5.5029 7.4018 7.4018 7.6738 7.6738 8.1739 8.1739 8.4604 8.4604 8.7031 8.7031 8.9483 8.9483 9.3250 9.3250 9.3944 9.3944 9.6673 9.6673 9.9642 9.9642 10.2931 10.2931 10.9850 10.9850 11.9291 11.9291 12.0519 12.0519 15.5669 15.5669 16.1619 16.1619 22.8213 22.8213 22.9944 22.9944 k = 0.5000-0.1925 0.4763 ( 2608 PWs) bands (ev): 4.1093 4.1093 4.2877 4.2877 4.3790 4.3790 4.4811 4.4811 4.8360 4.8360 4.8556 4.8556 5.0620 5.0620 5.0999 5.0999 5.3104 5.3104 5.4938 5.4938 7.4343 7.4343 7.6770 7.6770 8.1785 8.1785 8.4370 8.4370 8.6887 8.6887 8.9539 8.9539 9.3717 9.3717 9.3846 9.3846 9.6644 9.6644 9.9603 9.9603 10.2663 10.2663 10.9776 10.9776 11.8868 11.8868 12.0016 12.0016 15.6991 15.6991 16.2680 16.2680 22.5898 22.5898 22.7536 22.7536 k = 0.5000-0.1804 0.4848 ( 2600 PWs) bands (ev): 4.1175 4.1175 4.2905 4.2905 4.3796 4.3796 4.4776 4.4776 4.8410 4.8410 4.8611 4.8611 5.0553 5.0553 5.0992 5.0992 5.3006 5.3006 5.4837 5.4837 7.4703 7.4703 7.6808 7.6808 8.1818 8.1818 8.4150 8.4150 8.6747 8.6747 8.9613 8.9613 9.3714 9.3714 9.4181 9.4181 9.6619 9.6619 9.9547 9.9547 10.2398 10.2398 10.9702 10.9702 11.8372 11.8372 11.9550 11.9550 15.8426 15.8426 16.3847 16.3847 22.3530 22.3530 22.5108 22.5108 k = 0.5000-0.1684 0.4933 ( 2600 PWs) bands (ev): 4.1265 4.1265 4.2935 4.2935 4.3799 4.3799 4.4735 4.4735 4.8463 4.8463 4.8675 4.8675 5.0482 5.0482 5.0986 5.0986 5.2903 5.2903 5.4726 5.4726 7.5095 7.5095 7.6852 7.6852 8.1827 8.1827 8.3964 8.3964 8.6606 8.6606 8.9698 8.9698 9.3562 9.3562 9.4607 9.4607 9.6606 9.6606 9.9464 9.9464 10.2157 10.2157 10.9627 10.9627 11.7799 11.7799 11.9144 11.9144 15.9958 15.9958 16.5112 16.5112 22.1130 22.1130 22.2669 22.2669 k = 0.5000-0.1564 0.5018 ( 2594 PWs) bands (ev): 4.1363 4.1363 4.2968 4.2968 4.3800 4.3800 4.4686 4.4686 4.8517 4.8517 4.8748 4.8748 5.0409 5.0409 5.0982 5.0982 5.2796 5.2796 5.4606 5.4606 7.5514 7.5514 7.6903 7.6903 8.1798 8.1798 8.3828 8.3828 8.6464 8.6464 8.9794 8.9794 9.3379 9.3379 9.4984 9.4984 9.6617 9.6617 9.9346 9.9346 10.1969 10.1969 10.9554 10.9554 11.7160 11.7160 11.8796 11.8796 16.1579 16.1579 16.6467 16.6467 21.8717 21.8717 22.0226 22.0226 k = 0.5000-0.1443 0.5103 ( 2594 PWs) bands (ev): 4.1468 4.1468 4.3002 4.3002 4.3798 4.3798 4.4630 4.4630 4.8572 4.8572 4.8829 4.8829 5.0335 5.0335 5.0979 5.0979 5.2687 5.2687 5.4476 5.4476 7.5957 7.5957 7.6961 7.6961 8.1723 8.1723 8.3756 8.3756 8.6318 8.6318 8.9897 8.9897 9.3159 9.3159 9.5280 9.5280 9.6672 9.6672 9.9185 9.9185 10.1860 10.1860 10.9482 10.9482 11.6477 11.6477 11.8497 11.8497 16.3276 16.3276 16.7905 16.7905 21.6298 21.6298 21.7785 21.7785 k = 0.5000-0.1323 0.5188 ( 2598 PWs) bands (ev): 4.1580 4.1580 4.3039 4.3039 4.3792 4.3792 4.4564 4.4564 4.8629 4.8629 4.8918 4.8918 5.0261 5.0261 5.0976 5.0976 5.2578 5.2578 5.4338 5.4338 7.6414 7.6414 7.7031 7.7031 8.1604 8.1604 8.3752 8.3752 8.6170 8.6170 9.0003 9.0003 9.2899 9.2899 9.5469 9.5469 9.6789 9.6789 9.8985 9.8985 10.1849 10.1849 10.9413 10.9413 11.5766 11.5766 11.8238 11.8238 16.5044 16.5044 16.9420 16.9420 21.3882 21.3882 21.5351 21.5351 k = 0.5000-0.1203 0.5273 ( 2594 PWs) bands (ev): 4.1700 4.1700 4.3078 4.3078 4.3783 4.3783 4.4491 4.4491 4.8687 4.8687 4.9015 4.9015 5.0188 5.0188 5.0973 5.0973 5.2477 5.2477 5.4195 5.4195 7.6859 7.6859 7.7131 7.7131 8.1453 8.1453 8.3805 8.3805 8.6020 8.6020 9.0108 9.0108 9.2597 9.2597 9.5551 9.5551 9.6959 9.6959 9.8762 9.8762 10.1943 10.1943 10.9345 10.9345 11.5040 11.5040 11.8012 11.8012 16.6873 16.6873 17.1007 17.1007 21.1472 21.1472 21.2930 21.2930 k = 0.5000-0.1083 0.5358 ( 2594 PWs) bands (ev): 4.1824 4.1824 4.3117 4.3117 4.3770 4.3770 4.4409 4.4409 4.8746 4.8746 4.9119 4.9119 5.0115 5.0115 5.0967 5.0967 5.2384 5.2384 5.4044 5.4044 7.7119 7.7119 7.7425 7.7425 8.1290 8.1290 8.3900 8.3900 8.5873 8.5873 9.0203 9.0203 9.2256 9.2256 9.5553 9.5553 9.7146 9.7146 9.8538 9.8538 10.2137 10.2137 10.9278 10.9278 11.4310 11.4310 11.7815 11.7815 16.8757 16.8757 17.2659 17.2659 20.9074 20.9074 21.0524 21.0524 k = 0.5000-0.0962 0.5443 ( 2602 PWs) bands (ev): 4.1956 4.1956 4.3158 4.3158 4.3752 4.3752 4.4315 4.4315 4.8806 4.8806 4.9229 4.9229 5.0042 5.0042 5.0952 5.0952 5.2306 5.2306 5.3887 5.3887 7.7226 7.7226 7.7866 7.7866 8.1136 8.1136 8.4017 8.4017 8.5737 8.5737 9.0273 9.0273 9.1887 9.1887 9.5508 9.5508 9.7313 9.7313 9.8335 9.8335 10.2423 10.2423 10.9209 10.9209 11.3584 11.3584 11.7646 11.7646 17.0691 17.0691 17.4372 17.4372 20.6689 20.6689 20.8138 20.8138 k = 0.5000-0.0842 0.5528 ( 2606 PWs) bands (ev): 4.2089 4.2089 4.3199 4.3199 4.3732 4.3732 4.4216 4.4216 4.8866 4.8866 4.9342 4.9342 4.9972 4.9972 5.0927 5.0927 5.2251 5.2251 5.3727 5.3727 7.7323 7.7323 7.8289 7.8289 8.1020 8.1020 8.4133 8.4133 8.5630 8.5630 9.0285 9.0285 9.1528 9.1528 9.5437 9.5437 9.7434 9.7434 9.8175 9.8175 10.2787 10.2787 10.9134 10.9134 11.2872 11.2872 11.7500 11.7500 17.2667 17.2667 17.6143 17.6143 20.4322 20.4322 20.5775 20.5775 k = 0.5000-0.0722 0.5613 ( 2602 PWs) bands (ev): 4.2226 4.2226 4.3241 4.3241 4.3709 4.3709 4.4111 4.4111 4.8927 4.8927 4.9462 4.9462 4.9904 4.9904 5.0886 5.0886 5.2223 5.2223 5.3567 5.3567 7.7422 7.7422 7.8645 7.8645 8.0976 8.0976 8.4212 8.4212 8.5585 8.5585 9.0163 9.0163 9.1257 9.1257 9.5353 9.5353 9.7491 9.7491 9.8080 9.8080 10.3217 10.3217 10.9044 10.9044 11.2188 11.2188 11.7378 11.7378 17.4680 17.4680 17.7967 17.7967 20.1975 20.1975 20.3440 20.3440 k = 0.5000-0.0601 0.5698 ( 2604 PWs) bands (ev): 4.2363 4.2363 4.3283 4.3283 4.3682 4.3682 4.3999 4.3999 4.8987 4.8987 4.9584 4.9584 4.9839 4.9839 5.0828 5.0828 5.2226 5.2226 5.3404 5.3404 7.7523 7.7523 7.8891 7.8891 8.1043 8.1043 8.4212 8.4212 8.5640 8.5640 8.9847 8.9847 9.1141 9.1141 9.5267 9.5267 9.7483 9.7483 9.8051 9.8051 10.3696 10.3696 10.8927 10.8927 11.1550 11.1550 11.7276 11.7276 17.6721 17.6721 17.9841 17.9841 19.9653 19.9653 20.1134 20.1134 k = 0.5000-0.0481 0.5784 ( 2606 PWs) bands (ev): 4.2497 4.2497 4.3323 4.3323 4.3653 4.3653 4.3888 4.3888 4.9044 4.9044 4.9708 4.9708 4.9778 4.9778 5.0752 5.0752 5.2260 5.2260 5.3240 5.3240 7.7625 7.7625 7.9010 7.9010 8.1232 8.1232 8.4122 8.4122 8.5810 8.5810 8.9394 8.9394 9.1131 9.1131 9.5186 9.5186 9.7440 9.7440 9.8062 9.8062 10.4209 10.4209 10.8761 10.8761 11.0988 11.0988 11.7195 11.7195 17.8780 17.8780 18.1760 18.1760 19.7367 19.7367 19.8864 19.8864 k = 0.5000-0.0361 0.5869 ( 2602 PWs) bands (ev): 4.2628 4.2628 4.3362 4.3362 4.3620 4.3620 4.3779 4.3779 4.9097 4.9097 4.9722 4.9722 4.9833 4.9833 5.0662 5.0662 5.2322 5.2322 5.3081 5.3081 7.7721 7.7721 7.9029 7.9029 8.1507 8.1507 8.3964 8.3964 8.6079 8.6079 8.8883 8.8883 9.1159 9.1159 9.5117 9.5117 9.7391 9.7391 9.8085 9.8085 10.4737 10.4737 10.8518 10.8518 11.0544 11.0544 11.7133 11.7133 18.0835 18.0835 18.3718 18.3718 19.5133 19.5133 19.6636 19.6636 k = 0.5000-0.0241 0.5954 ( 2602 PWs) bands (ev): 4.2743 4.2743 4.3396 4.3396 4.3584 4.3584 4.3685 4.3685 4.9142 4.9142 4.9675 4.9675 4.9951 4.9951 5.0565 5.0565 5.2409 5.2409 5.2927 5.2927 7.7805 7.7805 7.8997 7.8997 8.1804 8.1804 8.3776 8.3776 8.6420 8.6420 8.8360 8.8360 9.1192 9.1192 9.5063 9.5063 9.7352 9.7352 9.8106 9.8106 10.5246 10.5246 10.8198 10.8198 11.0243 11.0243 11.7089 11.7089 18.2835 18.2835 18.5705 18.5705 19.2995 19.2995 19.4468 19.4468 k = 0.5000-0.0120 0.6039 ( 2606 PWs) bands (ev): 4.2829 4.2829 4.3418 4.3418 4.3550 4.3550 4.3622 4.3622 4.9174 4.9174 4.9643 4.9643 5.0050 5.0050 5.0476 5.0476 5.2515 5.2515 5.2781 5.2781 7.7864 7.7864 7.8958 7.8958 8.2048 8.2048 8.3606 8.3606 8.6808 8.6808 8.7860 8.7860 9.1216 9.1216 9.5030 9.5030 9.7328 9.7328 9.8119 9.8119 10.5668 10.5668 10.7873 10.7873 11.0081 11.0081 11.7062 11.7062 18.4609 18.4609 18.7684 18.7684 19.1083 19.1083 19.2437 19.2437 k = 0.5000-0.0000 0.6124 ( 2608 PWs) bands (ev): 4.2862 4.2862 4.3423 4.3423 4.3536 4.3536 4.3600 4.3600 4.9185 4.9185 4.9631 4.9631 5.0095 5.0095 5.0434 5.0434 5.2612 5.2612 5.2670 5.2670 7.7885 7.7885 7.8942 7.8942 8.2148 8.2148 8.3532 8.3532 8.7097 8.7097 8.7532 8.7532 9.1225 9.1225 9.5018 9.5018 9.7319 9.7319 9.8123 9.8123 10.5851 10.5851 10.7718 10.7718 11.0031 11.0031 11.7054 11.7054 18.5487 18.5487 18.9286 18.9286 18.9745 18.9745 19.1230 19.1230 k = 0.5000-0.0000 0.6124 ( 2608 PWs) bands (ev): 4.2862 4.2862 4.3423 4.3423 4.3536 4.3536 4.3600 4.3600 4.9185 4.9185 4.9631 4.9631 5.0095 5.0095 5.0434 5.0434 5.2612 5.2612 5.2670 5.2670 7.7885 7.7885 7.8942 7.8942 8.2148 8.2148 8.3532 8.3532 8.7097 8.7097 8.7532 8.7532 9.1225 9.1225 9.5018 9.5018 9.7319 9.7319 9.8123 9.8123 10.5851 10.5851 10.7718 10.7718 11.0031 11.0031 11.7054 11.7054 18.5487 18.5487 18.9286 18.9286 18.9745 18.9745 19.1230 19.1230 k = 0.4926 0.0127 0.6124 ( 2608 PWs) bands (ev): 4.2846 4.2846 4.3421 4.3421 4.3540 4.3540 4.3616 4.3616 4.9179 4.9179 4.9636 4.9636 5.0072 5.0072 5.0457 5.0457 5.2547 5.2547 5.2739 5.2739 7.7867 7.7867 7.8945 7.8945 8.2101 8.2101 8.3568 8.3568 8.6921 8.6921 8.7727 8.7727 9.1215 9.1215 9.5010 9.5010 9.7323 9.7323 9.8117 9.8117 10.5732 10.5732 10.7707 10.7707 11.0174 11.0174 11.7126 11.7126 18.4765 18.4765 18.8383 18.8383 19.0682 19.0682 19.1973 19.1973 k = 0.4853 0.0255 0.6124 ( 2600 PWs) bands (ev): 4.2801 4.2801 4.3412 4.3412 4.3553 4.3553 4.3662 4.3662 4.9163 4.9163 4.9651 4.9651 5.0017 5.0017 5.0511 5.0511 5.2468 5.2468 5.2833 5.2833 7.7813 7.7813 7.8960 7.8960 8.1973 8.1973 8.3660 8.3660 8.6650 8.6650 8.8053 8.8053 9.1186 9.1186 9.4991 9.4991 9.7328 9.7328 9.8107 9.8107 10.5488 10.5488 10.7567 10.7567 11.0564 11.0564 11.7366 11.7366 18.2885 18.2885 18.7828 18.7828 19.1941 19.1941 19.3310 19.3310 k = 0.4779 0.0382 0.6124 ( 2602 PWs) bands (ev): 4.2738 4.2738 4.3395 4.3395 4.3571 4.3571 4.3727 4.3727 4.9139 4.9139 4.9672 4.9672 4.9949 4.9949 5.0577 5.0577 5.2393 5.2393 5.2927 5.2927 7.7726 7.7726 7.8988 7.8988 8.1797 8.1797 8.3775 8.3775 8.6396 8.6396 8.8398 8.8398 9.1136 9.1136 9.4965 9.4965 9.7323 9.7323 9.8103 9.8103 10.5217 10.5217 10.7299 10.7299 11.1051 11.1051 11.7810 11.7810 18.0591 18.0591 18.7476 18.7476 19.3369 19.3369 19.4799 19.4799 k = 0.4706 0.0509 0.6124 ( 2606 PWs) bands (ev): 4.2665 4.2665 4.3373 4.3373 4.3593 4.3593 4.3804 4.3804 4.9108 4.9108 4.9695 4.9695 4.9877 4.9877 5.0648 5.0648 5.2325 5.2325 5.3019 5.3019 7.7616 7.7616 7.9020 7.9020 8.1605 8.1605 8.3890 8.3890 8.6174 8.6174 8.8740 8.8740 9.1065 9.1065 9.4937 9.4937 9.7300 9.7300 9.8119 9.8119 10.4955 10.4955 10.6964 10.6964 11.1506 11.1506 11.8480 11.8480 17.8195 17.8195 18.7171 18.7171 19.4899 19.4899 19.6352 19.6352 k = 0.4632 0.0637 0.6124 ( 2607 PWs) bands (ev): 4.2589 4.2589 4.3349 4.3349 4.3617 4.3617 4.3887 4.3887 4.9074 4.9074 4.9717 4.9717 4.9809 4.9809 5.0717 5.0717 5.2266 5.2266 5.3109 5.3109 7.7492 7.7492 7.9045 7.9045 8.1419 8.1419 8.3990 8.3990 8.5992 8.5992 8.9069 8.9069 9.0979 9.0979 9.4912 9.4912 9.7254 9.7254 9.8161 9.8161 10.4709 10.4709 10.6600 10.6600 11.1868 11.1868 11.9373 11.9373 17.5788 17.5788 18.6886 18.6886 19.6490 19.6490 19.7946 19.7946 k = 0.4559 0.0764 0.6124 ( 2605 PWs) bands (ev): 4.2513 4.2513 4.3324 4.3324 4.3643 4.3643 4.3971 4.3971 4.9039 4.9039 4.9711 4.9711 4.9771 4.9771 5.0783 5.0783 5.2216 5.2216 5.3197 5.3197 7.7359 7.7359 7.9050 7.9050 8.1262 8.1262 8.4064 8.4064 8.5852 8.5852 8.9369 8.9369 9.0889 9.0889 9.4893 9.4893 9.7190 9.7190 9.8228 9.8228 10.4477 10.4477 10.6233 10.6233 11.2132 11.2132 12.0456 12.0456 17.3406 17.3406 18.6620 18.6620 19.8120 19.8120 19.9569 19.9569 k = 0.4485 0.0891 0.6124 ( 2609 PWs) bands (ev): 4.2437 4.2437 4.3300 4.3300 4.3669 4.3669 4.4052 4.4052 4.9003 4.9003 4.9657 4.9657 4.9783 4.9783 5.0844 5.0844 5.2174 5.2174 5.3280 5.3280 7.7225 7.7225 7.9024 7.9024 8.1149 8.1149 8.4109 8.4109 8.5753 8.5753 8.9614 8.9614 9.0818 9.0818 9.4883 9.4883 9.7115 9.7115 9.8316 9.8316 10.4250 10.4250 10.5880 10.5880 11.2316 11.2316 12.1688 12.1688 17.1067 17.1067 18.6375 18.6375 19.9777 19.9777 20.1216 20.1216 k = 0.4412 0.1019 0.6124 ( 2607 PWs) bands (ev): 4.2366 4.2366 4.3277 4.3277 4.3695 4.3695 4.4131 4.4131 4.8967 4.8967 4.9600 4.9600 4.9802 4.9802 5.0900 5.0900 5.2142 5.2142 5.3358 5.3358 7.7092 7.7092 7.8962 7.8962 8.1089 8.1089 8.4124 8.4124 8.5695 8.5695 8.9764 8.9764 9.0808 9.0808 9.4882 9.4882 9.7037 9.7037 9.8421 9.8421 10.4017 10.4017 10.5557 10.5557 11.2442 11.2442 12.3023 12.3023 16.8788 16.8788 18.6150 18.6150 20.1451 20.1451 20.2882 20.2882 k = 0.4338 0.1146 0.6124 ( 2600 PWs) bands (ev): 4.2301 4.2301 4.3255 4.3255 4.3720 4.3720 4.4205 4.4205 4.8934 4.8934 4.9548 4.9548 4.9821 4.9821 5.0950 5.0950 5.2119 5.2119 5.3429 5.3429 7.6964 7.6964 7.8869 7.8869 8.1080 8.1080 8.4112 8.4112 8.5669 8.5669 8.9787 8.9787 9.0894 9.0894 9.4890 9.4890 9.6962 9.6962 9.8537 9.8537 10.3767 10.3767 10.5279 10.5279 11.2527 11.2527 12.4422 12.4422 16.6585 16.6585 18.5948 18.5948 20.3135 20.3135 20.4558 20.4558 k = 0.4265 0.1274 0.6124 ( 2602 PWs) bands (ev): 4.2241 4.2241 4.3235 4.3235 4.3743 4.3743 4.4271 4.4271 4.8902 4.8902 4.9500 4.9500 4.9835 4.9835 5.0993 5.0993 5.2102 5.2102 5.3493 5.3493 7.6844 7.6844 7.8755 7.8755 8.1113 8.1113 8.4080 8.4080 8.5667 8.5667 8.9709 8.9709 9.1051 9.1051 9.4905 9.4905 9.6894 9.6894 9.8663 9.8663 10.3494 10.3494 10.5055 10.5055 11.2586 11.2586 12.5849 12.5849 16.4476 16.4476 18.5768 18.5768 20.4821 20.4821 20.6238 20.6238 k = 0.4191 0.1401 0.6124 ( 2602 PWs) bands (ev): 4.2188 4.2188 4.3217 4.3217 4.3765 4.3765 4.4330 4.4330 4.8873 4.8873 4.9459 4.9459 4.9847 4.9847 5.1031 5.1031 5.2092 5.2092 5.3550 5.3550 7.6733 7.6733 7.8633 7.8633 8.1174 8.1174 8.4037 8.4037 8.5681 8.5681 8.9582 8.9582 9.1232 9.1232 9.4927 9.4927 9.6836 9.6836 9.8796 9.8796 10.3203 10.3203 10.4882 10.4882 11.2627 11.2627 12.7265 12.7265 16.2485 16.2485 18.5612 18.5612 20.6498 20.6498 20.7909 20.7909 k = 0.4118 0.1528 0.6124 ( 2607 PWs) bands (ev): 4.2141 4.2141 4.3201 4.3201 4.3783 4.3783 4.4381 4.4381 4.8847 4.8847 4.9424 4.9424 4.9856 4.9856 5.1061 5.1061 5.2085 5.2085 5.3599 5.3599 7.6635 7.6635 7.8516 7.8516 8.1251 8.1251 8.3989 8.3989 8.5703 8.5703 8.9440 8.9440 9.1406 9.1406 9.4952 9.4952 9.6788 9.6788 9.8933 9.8933 10.2905 10.2905 10.4754 10.4754 11.2655 11.2655 12.8632 12.8632 16.0645 16.0645 18.5480 18.5480 20.8149 20.8149 20.9554 20.9554 k = 0.4044 0.1656 0.6124 ( 2607 PWs) bands (ev): 4.2103 4.2103 4.3188 4.3188 4.3799 4.3799 4.4423 4.4423 4.8825 4.8825 4.9396 4.9396 4.9863 4.9863 5.1085 5.1085 5.2084 5.2084 5.3640 5.3640 7.6551 7.6551 7.8410 7.8410 8.1331 8.1331 8.3941 8.3941 8.5726 8.5726 8.9304 8.9304 9.1560 9.1560 9.4978 9.4978 9.6752 9.6752 9.9069 9.9069 10.2618 10.2618 10.4663 10.4663 11.2674 11.2674 12.9898 12.9898 15.8997 15.8997 18.5372 18.5372 20.9746 20.9746 21.1149 21.1149 k = 0.3971 0.1783 0.6124 ( 2607 PWs) bands (ev): 4.2073 4.2073 4.3178 4.3178 4.3812 4.3812 4.4456 4.4456 4.8807 4.8807 4.9374 4.9374 4.9868 4.9868 5.1104 5.1104 5.2083 5.2083 5.3673 5.3673 7.6483 7.6483 7.8324 7.8324 8.1405 8.1405 8.3899 8.3899 8.5748 8.5748 8.9186 8.9186 9.1684 9.1684 9.5002 9.5002 9.6726 9.6726 9.9198 9.9198 10.2360 10.2360 10.4598 10.4598 11.2688 11.2688 13.1004 13.1004 15.7599 15.7599 18.5287 18.5287 21.1234 21.1234 21.2655 21.2655 k = 0.3897 0.1910 0.6124 ( 2605 PWs) bands (ev): 4.2052 4.2052 4.3170 4.3170 4.3822 4.3822 4.4480 4.4480 4.8795 4.8795 4.9358 4.9358 4.9871 4.9871 5.1118 5.1118 5.2084 5.2084 5.3696 5.3696 7.6433 7.6433 7.8260 7.8260 8.1465 8.1465 8.3866 8.3866 8.5766 8.5766 8.9096 8.9096 9.1774 9.1774 9.5021 9.5021 9.6709 9.6709 9.9308 9.9308 10.2150 10.2150 10.4556 10.4556 11.2696 11.2696 13.1878 13.1878 15.6518 15.6518 18.5227 18.5227 21.2512 21.2512 21.4007 21.4007 k = 0.3824 0.2038 0.6124 ( 2604 PWs) bands (ev): 4.2038 4.2038 4.3166 4.3166 4.3828 4.3828 4.4495 4.4495 4.8788 4.8788 4.9349 4.9349 4.9873 4.9873 5.1126 5.1126 5.2085 5.2085 5.3710 5.3710 7.6402 7.6402 7.8220 7.8220 8.1504 8.1504 8.3845 8.3845 8.5777 8.5777 8.9039 8.9039 9.1829 9.1829 9.5033 9.5033 9.6700 9.6700 9.9385 9.9385 10.2012 10.2012 10.4532 10.4532 11.2701 11.2701 13.2444 13.2444 15.5829 15.5829 18.5191 18.5191 21.3412 21.3412 21.5059 21.5059 k = 0.3750 0.2165 0.6124 ( 2600 PWs) bands (ev): 4.2035 4.2035 4.3165 4.3165 4.3830 4.3830 4.4500 4.4500 4.8785 4.8785 4.9346 4.9346 4.9874 4.9874 5.1129 5.1129 5.2086 5.2086 5.3715 5.3715 7.6392 7.6392 7.8207 7.8207 8.1517 8.1517 8.3837 8.3837 8.5781 8.5781 8.9020 8.9020 9.1848 9.1848 9.5037 9.5037 9.6697 9.6697 9.9412 9.9412 10.1963 10.1963 10.4525 10.4525 11.2703 11.2703 13.2640 13.2640 15.5592 15.5592 18.5179 18.5179 21.3741 21.3741 21.5493 21.5493 k = 0.3750 0.2165 0.6124 ( 2600 PWs) bands (ev): 4.2035 4.2035 4.3165 4.3165 4.3830 4.3830 4.4500 4.4500 4.8785 4.8785 4.9346 4.9346 4.9874 4.9874 5.1129 5.1129 5.2086 5.2086 5.3715 5.3715 7.6392 7.6392 7.8207 7.8207 8.1517 8.1517 8.3837 8.3837 8.5781 8.5781 8.9020 8.9020 9.1848 9.1848 9.5037 9.5037 9.6697 9.6697 9.9412 9.9412 10.1963 10.1963 10.4525 10.4525 11.2703 11.2703 13.2640 13.2640 15.5592 15.5592 18.5179 18.5179 21.3741 21.3741 21.5493 21.5493 k = 0.3676 0.2123 0.6004 ( 2604 PWs) bands (ev): 4.2160 4.2160 4.3199 4.3199 4.3805 4.3805 4.4472 4.4472 4.8837 4.8837 4.9455 4.9455 4.9808 4.9808 5.1143 5.1143 5.1987 5.1987 5.3546 5.3546 7.6303 7.6303 7.8576 7.8576 8.1394 8.1394 8.3875 8.3875 8.5755 8.5755 8.8995 8.8995 9.1426 9.1426 9.4873 9.4873 9.6441 9.6441 9.9308 9.9308 10.1401 10.1401 10.5258 10.5258 11.2822 11.2822 13.3701 13.3701 15.5785 15.5785 18.7749 18.7749 21.2185 21.2185 21.3832 21.3832 k = 0.3603 0.2080 0.5884 ( 2604 PWs) bands (ev): 4.2288 4.2288 4.3233 4.3233 4.3772 4.3772 4.4450 4.4450 4.8889 4.8889 4.9565 4.9565 4.9747 4.9747 5.1149 5.1149 5.1905 5.1905 5.3376 5.3376 7.6162 7.6162 7.8919 7.8919 8.1286 8.1286 8.3875 8.3875 8.5793 8.5793 8.8965 8.8965 9.0954 9.0954 9.4663 9.4663 9.6176 9.6176 9.9202 9.9202 10.0979 10.0979 10.6064 10.6064 11.2983 11.2983 13.4788 13.4788 15.5988 15.5988 19.0337 19.0337 21.0663 21.0663 21.2208 21.2208 k = 0.3529 0.2038 0.5764 ( 2604 PWs) bands (ev): 4.2413 4.2413 4.3267 4.3267 4.3731 4.3731 4.4433 4.4433 4.8941 4.8941 4.9670 4.9670 4.9696 4.9696 5.1143 5.1143 5.1847 5.1847 5.3205 5.3205 7.5959 7.5959 7.9215 7.9215 8.1207 8.1207 8.3833 8.3833 8.5898 8.5898 8.8931 8.8931 9.0442 9.0442 9.4415 9.4415 9.5934 9.5934 9.9102 9.9102 10.0675 10.0675 10.6928 10.6928 11.3185 11.3185 13.5899 13.5899 15.6201 15.6201 19.2923 19.2923 20.9176 20.9176 21.0637 21.0637 k = 0.3456 0.1995 0.5643 ( 2604 PWs) bands (ev): 4.2534 4.2534 4.3299 4.3299 4.3686 4.3686 4.4422 4.4422 4.8990 4.8990 4.9639 4.9639 4.9784 4.9784 5.1122 5.1122 5.1817 5.1817 5.3035 5.3035 7.5688 7.5688 7.9446 7.9446 8.1172 8.1172 8.3754 8.3754 8.6064 8.6064 8.8886 8.8886 8.9913 8.9913 9.4150 9.4150 9.5727 9.5727 9.9010 9.9010 10.0460 10.0460 10.7840 10.7840 11.3427 11.3427 13.7032 13.7032 15.6426 15.6426 19.5469 19.5469 20.7725 20.7725 20.9154 20.9154 k = 0.3382 0.1953 0.5523 ( 2604 PWs) bands (ev): 4.2651 4.2651 4.3330 4.3330 4.3639 4.3639 4.4413 4.4413 4.9038 4.9038 4.9594 4.9594 4.9886 4.9886 5.1083 5.1083 5.1818 5.1818 5.2868 5.2868 7.5336 7.5336 7.9592 7.9592 8.1190 8.1190 8.3655 8.3655 8.6275 8.6275 8.8812 8.8812 8.9410 8.9410 9.3889 9.3889 9.5555 9.5555 9.8927 9.8927 10.0314 10.0314 10.8792 10.8792 11.3713 11.3713 13.8186 13.8186 15.6665 15.6665 19.7886 19.7886 20.6305 20.6305 20.7852 20.7852 k = 0.3309 0.1910 0.5403 ( 2612 PWs) bands (ev): 4.2758 4.2758 4.3358 4.3358 4.3592 4.3592 4.4406 4.4406 4.9082 4.9082 4.9554 4.9554 4.9980 4.9980 5.1032 5.1032 5.1845 5.1845 5.2706 5.2706 7.4897 7.4897 7.9654 7.9654 8.1260 8.1260 8.3555 8.3555 8.6508 8.6508 8.8623 8.8623 8.9049 8.9049 9.3648 9.3648 9.5410 9.5410 9.8855 9.8855 10.0218 10.0218 10.9778 10.9778 11.4044 11.4044 13.9358 13.9358 15.6918 15.6918 19.9922 19.9922 20.4900 20.4900 20.6991 20.6991 k = 0.3235 0.1868 0.5283 ( 2604 PWs) bands (ev): 4.2854 4.2854 4.3386 4.3386 4.3556 4.3556 4.4400 4.4400 4.9121 4.9121 4.9520 4.9520 5.0069 5.0069 5.0978 5.0978 5.1894 5.1894 5.2557 5.2557 7.4364 7.4364 7.9647 7.9647 8.1361 8.1361 8.3471 8.3471 8.6730 8.6730 8.8278 8.8278 8.8911 8.8911 9.3436 9.3436 9.5287 9.5287 9.8792 9.8792 10.0162 10.0162 11.0792 11.0792 11.4424 11.4424 14.0550 14.0550 15.7187 15.7187 20.0970 20.0970 20.3493 20.3493 20.7185 20.7185 k = 0.3162 0.1825 0.5163 ( 2604 PWs) bands (ev): 4.2928 4.2928 4.3402 4.3402 4.3541 4.3541 4.4394 4.4394 4.9149 4.9149 4.9495 4.9495 5.0143 5.0143 5.0926 5.0926 5.1958 5.1958 5.2419 5.2419 7.3737 7.3737 7.9594 7.9594 8.1465 8.1465 8.3418 8.3418 8.6870 8.6870 8.7991 8.7991 8.8851 8.8851 9.3257 9.3257 9.5184 9.5184 9.8739 9.8739 10.0136 10.0136 11.1829 11.1829 11.4859 11.4859 14.1757 14.1757 15.7473 15.7473 20.0732 20.0732 20.2086 20.2086 20.8686 20.8686 k = 0.3088 0.1783 0.5043 ( 2602 PWs) bands (ev): 4.2977 4.2977 4.3402 4.3402 4.3561 4.3561 4.4387 4.4387 4.9162 4.9162 4.9483 4.9483 5.0201 5.0201 5.0882 5.0882 5.2035 5.2035 5.2297 5.2297 7.3020 7.3020 7.9514 7.9514 8.1555 8.1555 8.3402 8.3402 8.6823 8.6823 8.7911 8.7911 8.8820 8.8820 9.3111 9.3111 9.5100 9.5100 9.8696 9.8696 10.0136 10.0136 11.2879 11.2879 11.5356 11.5356 14.2980 14.2980 15.7776 15.7776 19.9812 19.9812 20.0704 20.0704 20.9920 20.9920 k = 0.3015 0.1741 0.4923 ( 2600 PWs) bands (ev): 4.2996 4.2996 4.3397 4.3397 4.3608 4.3608 4.4376 4.4376 4.9153 4.9153 4.9486 4.9486 5.0242 5.0242 5.0848 5.0848 5.2121 5.2121 5.2201 5.2201 7.2222 7.2222 7.9420 7.9420 8.1621 8.1621 8.3424 8.3424 8.6613 8.6613 8.7995 8.7995 8.8827 8.8827 9.2999 9.2999 9.5036 9.5036 9.8661 9.8661 10.0157 10.0157 11.3932 11.3932 11.5929 11.5929 14.4216 14.4216 15.8098 15.8098 19.8630 19.8630 19.9383 19.9383 20.8902 20.8902 k = 0.2941 0.1698 0.4803 ( 2606 PWs) bands (ev): 4.2988 4.2988 4.3393 4.3393 4.3668 4.3668 4.4365 4.4365 4.9124 4.9124 4.9506 4.9506 5.0257 5.0257 5.0829 5.0829 5.2124 5.2124 5.2216 5.2216 7.1355 7.1355 7.9318 7.9318 8.1663 8.1663 8.3478 8.3478 8.6357 8.6357 8.8086 8.8086 8.8900 8.8900 9.2919 9.2919 9.4996 9.4996 9.8635 9.8635 10.0196 10.0196 11.4966 11.4966 11.6597 11.6597 14.5465 14.5465 15.8439 15.8439 19.7327 19.7327 19.8137 19.8137 20.7800 20.7800 k = 0.2868 0.1656 0.4683 ( 2606 PWs) bands (ev): 4.2964 4.2964 4.3390 4.3390 4.3736 4.3736 4.4351 4.4351 4.9078 4.9078 4.9537 4.9537 5.0248 5.0248 5.0826 5.0826 5.2078 5.2078 5.2317 5.2317 7.0434 7.0434 7.9214 7.9214 8.1683 8.1683 8.3555 8.3555 8.6109 8.6109 8.8109 8.8109 8.9050 8.9050 9.2870 9.2870 9.4983 9.4983 9.8618 9.8618 10.0252 10.0252 11.5954 11.5954 11.7390 11.7390 14.6725 14.6725 15.8802 15.8802 19.5974 19.5974 19.6953 19.6953 20.6716 20.6716 k = 0.2794 0.1613 0.4563 ( 2608 PWs) bands (ev): 4.2930 4.2930 4.3387 4.3387 4.3804 4.3804 4.4334 4.4334 4.9019 4.9019 4.9575 4.9575 5.0214 5.0214 5.0841 5.0841 5.2057 5.2057 5.2423 5.2423 6.9469 6.9469 7.9110 7.9110 8.1686 8.1686 8.3647 8.3647 8.5884 8.5884 8.8065 8.8065 8.9249 8.9249 9.2850 9.2850 9.5001 9.5001 9.8611 9.8611 10.0320 10.0320 11.6877 11.6877 11.8327 11.8327 14.7995 14.7995 15.9186 15.9186 19.4610 19.4610 19.5816 19.5816 20.5657 20.5657 k = 0.2721 0.1571 0.4443 ( 2604 PWs) bands (ev): 4.2894 4.2894 4.3381 4.3381 4.3867 4.3867 4.4316 4.4316 4.8953 4.8953 4.9617 4.9617 5.0159 5.0159 5.0877 5.0877 5.2059 5.2059 5.2533 5.2533 6.8475 6.8475 7.9009 7.9009 8.1675 8.1675 8.3745 8.3745 8.5686 8.5686 8.7980 8.7980 8.9463 8.9463 9.2854 9.2854 9.5054 9.5054 9.8612 9.8612 10.0400 10.0400 11.7754 11.7754 11.9388 11.9388 14.9274 14.9274 15.9593 15.9593 19.3254 19.3254 19.4719 19.4719 20.4624 20.4624 k = 0.2647 0.1528 0.4323 ( 2618 PWs) bands (ev): 4.2856 4.2856 4.3370 4.3370 4.3922 4.3922 4.4292 4.4292 4.8879 4.8879 4.9659 4.9659 5.0088 5.0088 5.0929 5.0929 5.2079 5.2079 5.2644 5.2644 6.7460 6.7460 7.8910 7.8910 8.1651 8.1651 8.3841 8.3841 8.5516 8.5516 8.7866 8.7866 8.9671 8.9671 9.2877 9.2877 9.5145 9.5145 9.8622 9.8622 10.0490 10.0490 11.8623 11.8623 12.0537 12.0537 15.0559 15.0559 16.0025 16.0025 19.1915 19.1915 19.3660 19.3660 20.3618 20.3618 k = 0.2574 0.1486 0.4203 ( 2610 PWs) bands (ev): 4.2821 4.2821 4.3356 4.3356 4.3970 4.3970 4.4267 4.4267 4.8802 4.8802 4.9700 4.9700 5.0012 5.0012 5.0997 5.0997 5.2114 5.2114 5.2761 5.2761 6.6436 6.6436 7.8815 7.8815 8.1614 8.1614 8.3933 8.3933 8.5374 8.5374 8.7732 8.7732 8.9869 8.9869 9.2915 9.2915 9.5276 9.5276 9.8642 9.8642 10.0588 10.0588 11.9512 11.9512 12.1746 12.1746 15.1850 15.1850 16.0482 16.0482 19.0598 19.0598 19.2637 19.2637 20.2638 20.2638 k = 0.2500 0.1443 0.4082 ( 2622 PWs) bands (ev): 4.2786 4.2786 4.3337 4.3337 4.4004 4.4004 4.4239 4.4239 4.8722 4.8722 4.9733 4.9733 4.9937 4.9937 5.1077 5.1077 5.2155 5.2155 5.2880 5.2880 6.5409 6.5409 7.8724 7.8724 8.1565 8.1565 8.4014 8.4014 8.5258 8.5258 8.7581 8.7581 9.0053 9.0053 9.2963 9.2963 9.5445 9.5445 9.8672 9.8672 10.0693 10.0693 12.0437 12.0437 12.2996 12.2996 15.3145 15.3145 16.0966 16.0966 18.9307 18.9307 19.1651 19.1651 20.1680 20.1680 k = 0.2426 0.1401 0.3962 ( 2610 PWs) bands (ev): 4.2761 4.2761 4.3313 4.3313 4.4024 4.4024 4.4212 4.4212 4.8645 4.8645 4.9741 4.9741 4.9887 4.9887 5.1176 5.1176 5.2200 5.2200 5.3003 5.3003 6.4386 6.4386 7.8638 7.8638 8.1504 8.1504 8.4082 8.4082 8.5171 8.5171 8.7416 8.7416 9.0227 9.0227 9.3018 9.3018 9.5651 9.5651 9.8712 9.8712 10.0804 10.0804 12.1407 12.1407 12.4280 12.4280 15.4440 15.4440 16.1479 16.1479 18.8042 18.8042 19.0701 19.0701 20.0742 20.0742 k = 0.2353 0.1358 0.3842 ( 2612 PWs) bands (ev): 4.2739 4.2739 4.3284 4.3284 4.4031 4.4031 4.4182 4.4182 4.8566 4.8566 4.9699 4.9699 4.9889 4.9889 5.1284 5.1284 5.2246 5.2246 5.3126 5.3126 6.3372 6.3372 7.8555 7.8555 8.1429 8.1429 8.4133 8.4133 8.5109 8.5109 8.7239 8.7239 9.0394 9.0394 9.3079 9.3079 9.5889 9.5889 9.8761 9.8761 10.0919 10.0919 12.2426 12.2426 12.5592 12.5592 15.5735 15.5735 16.2021 16.2021 18.6806 18.6806 18.9789 18.9789 19.9810 19.9810 k = 0.2279 0.1316 0.3722 ( 2614 PWs) bands (ev): 4.2721 4.2721 4.3249 4.3249 4.4023 4.4023 4.4151 4.4151 4.8488 4.8488 4.9634 4.9634 4.9918 4.9918 5.1404 5.1404 5.2293 5.2293 5.3249 5.3249 6.2374 6.2374 7.8477 7.8477 8.1342 8.1342 8.4165 8.4165 8.5071 8.5071 8.7051 8.7051 9.0556 9.0556 9.3144 9.3144 9.6154 9.6154 9.8820 9.8820 10.1037 10.1037 12.3494 12.3494 12.6929 12.6929 15.7024 15.7024 16.2597 16.2597 18.5600 18.5600 18.8912 18.8912 19.8862 19.8862 k = 0.2206 0.1274 0.3602 ( 2612 PWs) bands (ev): 4.2708 4.2708 4.3212 4.3212 4.4001 4.4001 4.4120 4.4120 4.8413 4.8413 4.9568 4.9568 4.9954 4.9954 5.1531 5.1531 5.2336 5.2336 5.3372 5.3372 6.1395 6.1395 7.8403 7.8403 8.1242 8.1242 8.4182 8.4182 8.5054 8.5054 8.6853 8.6853 9.0718 9.0718 9.3214 9.3214 9.6442 9.6442 9.8889 9.8889 10.1157 10.1157 12.4612 12.4612 12.8289 12.8289 15.8306 15.8306 16.3208 16.3208 18.4425 18.4425 18.8073 18.8073 19.7862 19.7862 k = 0.2132 0.1231 0.3482 ( 2620 PWs) bands (ev): 4.2700 4.2700 4.3170 4.3170 4.3964 4.3964 4.4086 4.4086 4.8340 4.8340 4.9505 4.9505 4.9989 4.9989 5.1669 5.1669 5.2375 5.2375 5.3495 5.3495 6.0438 6.0438 7.8332 7.8332 8.1129 8.1129 8.4187 8.4187 8.5052 8.5052 8.6646 8.6646 9.0882 9.0882 9.3290 9.3290 9.6745 9.6745 9.8966 9.8966 10.1278 10.1278 12.5781 12.5781 12.9671 12.9671 15.9573 15.9573 16.3859 16.3859 18.3283 18.3283 18.7270 18.7270 19.6799 19.6799 k = 0.2059 0.1189 0.3362 ( 2615 PWs) bands (ev): 4.2698 4.2698 4.3124 4.3124 4.3916 4.3916 4.4052 4.4052 4.8270 4.8270 4.9449 4.9449 5.0024 5.0024 5.1817 5.1817 5.2409 5.2409 5.3618 5.3618 5.9508 5.9508 7.8265 7.8265 8.1005 8.1005 8.4183 8.4183 8.5060 8.5060 8.6433 8.6433 9.1051 9.1051 9.3372 9.3372 9.7061 9.7061 9.9054 9.9054 10.1401 10.1401 12.6998 12.6998 13.1073 13.1073 16.0818 16.0818 16.4555 16.4555 18.2174 18.2174 18.6503 18.6503 19.5710 19.5710 k = 0.1985 0.1146 0.3242 ( 2615 PWs) bands (ev): 4.2700 4.2700 4.3075 4.3075 4.3855 4.3855 4.4016 4.4016 4.8203 4.8203 4.9400 4.9400 5.0057 5.0057 5.1968 5.1968 5.2437 5.2437 5.3739 5.3739 5.8610 5.8610 7.8202 7.8202 8.0869 8.0869 8.4175 8.4175 8.5071 8.5071 8.6215 8.6215 9.1226 9.1226 9.3460 9.3460 9.7386 9.7386 9.9151 9.9151 10.1522 10.1522 12.8263 12.8263 13.2495 13.2495 16.2034 16.2034 16.5302 16.5302 18.1100 18.1100 18.5773 18.5773 19.4621 19.4621 k = 0.1912 0.1104 0.3122 ( 2615 PWs) bands (ev): 4.2706 4.2706 4.3023 4.3023 4.3786 4.3786 4.3979 4.3979 4.8139 4.8139 4.9357 4.9357 5.0088 5.0088 5.2120 5.2120 5.2460 5.2460 5.3858 5.3858 5.7748 5.7748 7.8141 7.8141 8.0723 8.0723 8.4166 8.4166 8.5083 8.5083 8.5994 8.5994 9.1407 9.1407 9.3553 9.3553 9.7716 9.7716 9.9257 9.9257 10.1643 10.1643 12.9574 12.9574 13.3935 13.3935 16.3207 16.3207 16.6110 16.6110 18.0062 18.0062 18.5080 18.5080 19.3549 19.3549 k = 0.1838 0.1061 0.3002 ( 2615 PWs) bands (ev): 4.2717 4.2717 4.2969 4.2969 4.3705 4.3705 4.3943 4.3943 4.8079 4.8079 4.9317 4.9317 5.0115 5.0115 5.2263 5.2263 5.2485 5.2485 5.3974 5.3974 5.6929 5.6929 7.8083 7.8083 8.0567 8.0567 8.4155 8.4155 8.5091 8.5091 8.5773 8.5773 9.1594 9.1594 9.3652 9.3652 9.8049 9.8049 9.9372 9.9372 10.1763 10.1763 13.0929 13.0929 13.5394 13.5394 16.4326 16.4326 16.6987 16.6987 17.9063 17.9063 18.4424 18.4424 19.2502 19.2502 k = 0.1765 0.1019 0.2882 ( 2615 PWs) bands (ev): 4.2732 4.2732 4.2912 4.2912 4.3616 4.3616 4.3907 4.3907 4.8024 4.8024 4.9278 4.9278 5.0138 5.0138 5.2347 5.2347 5.2555 5.2555 5.4086 5.4086 5.6160 5.6160 7.8027 7.8027 8.0402 8.0402 8.4144 8.4144 8.5094 8.5094 8.5555 8.5555 9.1789 9.1789 9.3755 9.3755 9.8382 9.8382 9.9496 9.9496 10.1881 10.1881 13.2327 13.2327 13.6869 13.6869 16.5383 16.5383 16.7936 16.7936 17.8105 17.8105 18.3807 18.3807 19.1482 19.1482 k = 0.1691 0.0976 0.2762 ( 2617 PWs) bands (ev): 4.2745 4.2745 4.2858 4.2858 4.3521 4.3521 4.3870 4.3870 4.7970 4.7970 4.9240 4.9240 5.0158 5.0158 5.2338 5.2338 5.2695 5.2695 5.4190 5.4190 5.5458 5.5458 7.7973 7.7973 8.0229 8.0229 8.4131 8.4131 8.5086 8.5086 8.5349 8.5349 9.1988 9.1988 9.3861 9.3861 9.8712 9.8712 9.9629 9.9629 10.1997 10.1997 13.3766 13.3766 13.8360 13.8360 16.6378 16.6378 16.8948 16.8948 17.7191 17.7191 18.3229 18.3229 19.0494 19.0494 k = 0.1618 0.0934 0.2642 ( 2617 PWs) bands (ev): 4.2744 4.2744 4.2821 4.2821 4.3420 4.3420 4.3835 4.3835 4.7922 4.7922 4.9197 4.9197 5.0174 5.0174 5.2262 5.2262 5.2863 5.2863 5.4270 5.4270 5.4858 5.4858 7.7920 7.7920 8.0050 8.0050 8.4111 8.4111 8.5039 8.5039 8.5189 8.5189 9.2193 9.2193 9.3970 9.3970 9.9037 9.9037 9.9772 9.9772 10.2110 10.2110 13.5244 13.5244 13.9866 13.9866 16.7320 16.7320 17.0004 17.0004 17.6328 17.6328 18.2692 18.2692 18.9540 18.9540 k = 0.1544 0.0891 0.2522 ( 2609 PWs) bands (ev): 4.2703 4.2703 4.2825 4.2825 4.3315 4.3315 4.3803 4.3803 4.7879 4.7879 4.9144 4.9144 5.0186 5.0186 5.2117 5.2117 5.3042 5.3042 5.4171 5.4171 5.4541 5.4541 7.7870 7.7870 7.9865 7.9865 8.4077 8.4077 8.4905 8.4905 8.5131 8.5131 9.2403 9.2403 9.4082 9.4082 9.9352 9.9352 9.9927 9.9927 10.2220 10.2220 13.6759 13.6759 14.1385 14.1385 16.8219 16.8219 17.1076 17.1076 17.5528 17.5528 18.2202 18.2202 18.8622 18.8622 k = 0.1471 0.0849 0.2401 ( 2619 PWs) bands (ev): 4.2642 4.2642 4.2848 4.2848 4.3208 4.3208 4.3770 4.3770 4.7837 4.7837 4.9074 4.9074 5.0191 5.0191 5.1890 5.1890 5.3221 5.3221 5.3844 5.3844 5.4576 5.4576 7.7819 7.7819 7.9676 7.9676 8.4019 8.4019 8.4762 8.4762 8.5110 8.5110 9.2614 9.2614 9.4192 9.4192 9.9652 9.9652 10.0096 10.0096 10.2327 10.2327 13.8309 13.8309 14.2916 14.2916 16.9078 16.9078 17.2114 17.2114 17.4826 17.4826 18.1764 18.1764 18.7742 18.7742 k = 0.1397 0.0807 0.2281 ( 2621 PWs) bands (ev): 4.2579 4.2579 4.2873 4.2873 4.3102 4.3102 4.3737 4.3737 4.7798 4.7798 4.8980 4.8980 5.0195 5.0195 5.1593 5.1593 5.3398 5.3398 5.3598 5.3598 5.4664 5.4664 7.7769 7.7769 7.9483 7.9483 8.3925 8.3925 8.4655 8.4655 8.5093 8.5093 9.2828 9.2828 9.4302 9.4302 9.9926 9.9926 10.0290 10.0290 10.2431 10.2431 13.9892 13.9892 14.4456 14.4456 16.9887 16.9887 17.2956 17.2956 17.4379 17.4379 18.1390 18.1390 18.6902 18.6902 k = 0.1324 0.0764 0.2161 ( 2621 PWs) bands (ev): 4.2514 4.2514 4.2889 4.2889 4.3010 4.3010 4.3707 4.3707 4.7761 4.7761 4.8849 4.8849 5.0195 5.0195 5.1267 5.1267 5.3428 5.3428 5.3593 5.3593 5.4755 5.4755 7.7719 7.7719 7.9289 7.9289 8.3794 8.3794 8.4592 8.4592 8.5076 8.5076 9.3042 9.3042 9.4410 9.4410 10.0163 10.0163 10.0515 10.0515 10.2531 10.2531 14.1505 14.1505 14.6003 14.6003 17.0594 17.0594 17.3114 17.3114 17.4703 17.4703 18.1101 18.1101 18.6106 18.6106 k = 0.1250 0.0722 0.2041 ( 2619 PWs) bands (ev): 4.2450 4.2450 4.2846 4.2846 4.2979 4.2979 4.3678 4.3678 4.7724 4.7724 4.8671 4.8671 5.0191 5.0191 5.0962 5.0962 5.3339 5.3339 5.3770 5.3770 5.4844 5.4844 7.7669 7.7669 7.9095 7.9095 8.3638 8.3638 8.4563 8.4563 8.5059 8.5059 9.3255 9.3255 9.4515 9.4515 10.0367 10.0367 10.0767 10.0767 10.2627 10.2627 14.3147 14.3147 14.7553 14.7553 17.1033 17.1033 17.3027 17.3027 17.5483 17.5483 18.0931 18.0931 18.5356 18.5356 k = 0.1176 0.0679 0.1921 ( 2623 PWs) bands (ev): 4.2386 4.2386 4.2751 4.2751 4.3003 4.3003 4.3651 4.3651 4.7680 4.7680 4.8445 4.8445 5.0182 5.0182 5.0709 5.0709 5.3283 5.3283 5.3947 5.3947 5.4931 5.4931 7.7618 7.7618 7.8901 7.8901 8.3469 8.3469 8.4557 8.4557 8.5039 8.5039 9.3465 9.3465 9.4617 9.4617 10.0550 10.0550 10.1032 10.1032 10.2720 10.2720 14.4815 14.4815 14.9102 14.9102 17.1008 17.1008 17.3342 17.3342 17.6208 17.6208 18.0937 18.0937 18.4655 18.4655 k = 0.1103 0.0637 0.1801 ( 2631 PWs) bands (ev): 4.2323 4.2323 4.2650 4.2650 4.3035 4.3035 4.3624 4.3624 4.7614 4.7614 4.8192 4.8192 5.0170 5.0170 5.0521 5.0521 5.3250 5.3250 5.4120 5.4120 5.5012 5.5012 7.7567 7.7567 7.8710 7.8710 8.3297 8.3297 8.4564 8.4564 8.5019 8.5019 9.3671 9.3671 9.4714 9.4714 10.0720 10.0720 10.1297 10.1297 10.2808 10.2808 14.6505 14.6505 15.0644 15.0644 17.0691 17.0691 17.3962 17.3962 17.6732 17.6732 18.1182 18.1182 18.4007 18.4007 k = 0.1029 0.0594 0.1681 ( 2631 PWs) bands (ev): 4.2262 4.2262 4.2550 4.2550 4.3071 4.3071 4.3600 4.3600 4.7485 4.7485 4.7969 4.7969 5.0153 5.0153 5.0391 5.0391 5.3230 5.3230 5.4290 5.4290 5.5090 5.5090 7.7516 7.7516 7.8522 7.8522 8.3128 8.3128 8.4580 8.4580 8.5000 8.5000 9.3872 9.3872 9.4806 9.4806 10.0884 10.0884 10.1555 10.1555 10.2892 10.2892 14.8215 14.8215 15.2170 15.2170 17.0309 17.0309 17.4676 17.4676 17.7016 17.7016 18.1683 18.1683 18.3419 18.3419 k = 0.0956 0.0552 0.1561 ( 2635 PWs) bands (ev): 4.2203 4.2203 4.2454 4.2454 4.3107 4.3107 4.3577 4.3577 4.7247 4.7247 4.7841 4.7841 5.0133 5.0133 5.0305 5.0305 5.3218 5.3218 5.4453 5.4453 5.5163 5.5163 7.7464 7.7464 7.8340 7.8340 8.2966 8.2966 8.4601 8.4601 8.4979 8.4979 9.4066 9.4066 9.4893 9.4893 10.1041 10.1041 10.1803 10.1803 10.2971 10.2971 14.9940 14.9940 15.3668 15.3668 16.9952 16.9952 17.5394 17.5394 17.7110 17.7110 18.2370 18.2370 18.2913 18.2913 k = 0.0882 0.0509 0.1441 ( 2635 PWs) bands (ev): 4.2147 4.2147 4.2362 4.2362 4.3144 4.3144 4.3556 4.3556 4.6939 4.6939 4.7782 4.7782 5.0113 5.0113 5.0249 5.0249 5.3213 5.3213 5.4611 5.4611 5.5232 5.5232 7.7412 7.7412 7.8164 7.8164 8.2813 8.2813 8.4625 8.4625 8.4960 8.4960 9.4252 9.4252 9.4974 9.4974 10.1192 10.1192 10.2039 10.2039 10.3045 10.3045 15.1675 15.1675 15.5125 15.5125 16.9660 16.9660 17.6063 17.6063 17.7106 17.7106 18.2400 18.2400 18.3254 18.3254 k = 0.0809 0.0467 0.1321 ( 2641 PWs) bands (ev): 4.2093 4.2093 4.2276 4.2276 4.3178 4.3178 4.3536 4.3536 4.6614 4.6614 4.7752 4.7752 5.0094 5.0094 5.0210 5.0210 5.3211 5.3211 5.4760 5.4760 5.5296 5.5296 7.7361 7.7361 7.7996 7.7996 8.2671 8.2671 8.4651 8.4651 8.4941 8.4941 9.4429 9.4429 9.5049 9.5049 10.1336 10.1336 10.2261 10.2261 10.3115 10.3115 15.3413 15.3413 15.6518 15.6518 16.9461 16.9461 17.6559 17.6559 17.7167 17.7167 18.2028 18.2028 18.4128 18.4128 k = 0.0735 0.0425 0.1201 ( 2657 PWs) bands (ev): 4.2042 4.2042 4.2193 4.2193 4.3211 4.3211 4.3518 4.3518 4.6296 4.6296 4.7734 4.7734 5.0079 5.0079 5.0179 5.0179 5.3209 5.3209 5.4900 5.4900 5.5354 5.5354 7.7309 7.7309 7.7837 7.7837 8.2539 8.2539 8.4676 8.4676 8.4922 8.4922 9.4594 9.4594 9.5118 9.5118 10.1472 10.1472 10.2467 10.2467 10.3179 10.3179 15.5145 15.5145 15.7821 15.7821 16.9380 16.9380 17.6660 17.6660 17.7540 17.7540 18.1731 18.1731 18.5021 18.5021 k = 0.0662 0.0382 0.1081 ( 2661 PWs) bands (ev): 4.1995 4.1995 4.2118 4.2118 4.3245 4.3245 4.3502 4.3502 4.5995 4.5995 4.7723 4.7723 5.0068 5.0068 5.0154 5.0154 5.3210 5.3210 5.5032 5.5032 5.5408 5.5408 7.7260 7.7260 7.7689 7.7689 8.2421 8.2421 8.4701 8.4701 8.4905 8.4905 9.4748 9.4748 9.5180 9.5180 10.1599 10.1599 10.2657 10.2657 10.3239 10.3239 15.6852 15.6852 15.9007 15.9007 16.9441 16.9441 17.6597 17.6597 17.8009 17.8009 18.1525 18.1525 18.5888 18.5888 k = 0.0588 0.0340 0.0961 ( 2665 PWs) bands (ev): 4.1953 4.1953 4.2050 4.2050 4.3277 4.3277 4.3487 4.3487 4.5717 4.5717 4.7716 4.7716 5.0062 5.0062 5.0134 5.0134 5.3213 5.3213 5.5153 5.5153 5.5455 5.5455 7.7213 7.7213 7.7553 7.7553 8.2315 8.2315 8.4725 8.4725 8.4890 8.4890 9.4889 9.4889 9.5236 9.5236 10.1716 10.1716 10.2830 10.2830 10.3292 10.3292 15.8495 15.8495 16.0070 16.0070 16.9661 16.9661 17.6539 17.6539 17.8428 17.8428 18.1412 18.1412 18.6659 18.6659 k = 0.0515 0.0297 0.0841 ( 2667 PWs) bands (ev): 4.1914 4.1914 4.1988 4.1988 4.3309 4.3309 4.3475 4.3475 4.5466 4.5466 4.7714 4.7714 5.0056 5.0056 5.0115 5.0115 5.3215 5.3215 5.5263 5.5263 5.5498 5.5498 7.7169 7.7169 7.7429 7.7429 8.2222 8.2222 8.4747 8.4747 8.4876 8.4876 9.5016 9.5016 9.5285 9.5285 10.1822 10.1822 10.2985 10.2985 10.3340 10.3340 15.9941 15.9941 16.1102 16.1102 17.0026 17.0026 17.6548 17.6548 17.8783 17.8783 18.1384 18.1384 18.7012 18.7012 k = 0.0441 0.0255 0.0720 ( 2661 PWs) bands (ev): 4.1880 4.1880 4.1935 4.1935 4.3338 4.3338 4.3465 4.3465 4.5245 4.5245 4.7713 4.7713 5.0054 5.0054 5.0099 5.0099 5.3219 5.3219 5.5362 5.5362 5.5536 5.5536 7.7129 7.7129 7.7320 7.7320 8.2141 8.2141 8.4768 8.4768 8.4864 8.4864 9.5128 9.5128 9.5328 9.5328 10.1917 10.1917 10.3120 10.3120 10.3383 10.3383 16.0905 16.0905 16.2367 16.2367 17.0479 17.0479 17.6685 17.6685 17.9096 17.9096 18.1419 18.1419 18.6951 18.6951 k = 0.0368 0.0212 0.0600 ( 2661 PWs) bands (ev): 4.1851 4.1851 4.1889 4.1889 4.3364 4.3364 4.3456 4.3456 4.5054 4.5054 4.7712 4.7712 5.0053 5.0053 5.0086 5.0086 5.3222 5.3222 5.5445 5.5445 5.5568 5.5568 7.7093 7.7093 7.7226 7.7226 8.2074 8.2074 8.4786 8.4786 8.4853 8.4853 9.5224 9.5224 9.5365 9.5365 10.1998 10.1998 10.3236 10.3236 10.3419 10.3419 16.1441 16.1441 16.3814 16.3814 17.0913 17.0913 17.7023 17.7023 17.9400 17.9400 18.1490 18.1490 18.6835 18.6835 k = 0.0294 0.0170 0.0480 ( 2661 PWs) bands (ev): 4.1826 4.1826 4.1851 4.1851 4.3387 4.3387 4.3448 4.3448 4.4895 4.4895 4.7712 4.7712 5.0053 5.0053 5.0074 5.0074 5.3225 5.3225 5.5515 5.5515 5.5594 5.5594 7.7063 7.7063 7.7148 7.7148 8.2019 8.2019 8.4801 8.4801 8.4844 8.4844 9.5303 9.5303 9.5394 9.5394 10.2065 10.2065 10.3331 10.3331 10.3449 10.3449 16.1756 16.1756 16.5241 16.5241 17.1208 17.1208 17.7623 17.7623 17.9730 17.9730 18.1574 18.1574 18.6722 18.6722 k = 0.0221 0.0127 0.0360 ( 2661 PWs) bands (ev): 4.1807 4.1807 4.1821 4.1821 4.3407 4.3407 4.3442 4.3442 4.4769 4.4769 4.7713 4.7713 5.0053 5.0053 5.0065 5.0065 5.3228 5.3228 5.5569 5.5569 5.5614 5.5614 7.7038 7.7038 7.7086 7.7086 8.1977 8.1977 8.4812 8.4812 8.4837 8.4837 9.5366 9.5366 9.5417 9.5417 10.2118 10.2118 10.3406 10.3406 10.3472 10.3472 16.1946 16.1946 16.6559 16.6559 17.1290 17.1290 17.8484 17.8484 18.0099 18.0099 18.1657 18.1657 18.6613 18.6613 k = 0.0147 0.0085 0.0240 ( 2661 PWs) bands (ev): 4.1794 4.1794 4.1800 4.1800 4.3422 4.3422 4.3438 4.3438 4.4678 4.4678 4.7713 4.7713 5.0053 5.0053 5.0059 5.0059 5.3229 5.3229 5.5609 5.5609 5.5629 5.5629 7.7020 7.7020 7.7042 7.7042 8.1947 8.1947 8.4821 8.4821 8.4832 8.4832 9.5411 9.5411 9.5434 9.5434 10.2157 10.2157 10.3460 10.3460 10.3489 10.3489 16.2055 16.2055 16.7704 16.7704 17.1163 17.1163 17.9509 17.9509 18.0483 18.0483 18.1738 18.1738 18.6471 18.6471 k = 0.0074 0.0042 0.0120 ( 2653 PWs) bands (ev): 4.1788 4.1788 4.1788 4.1788 4.3432 4.3432 4.3436 4.3436 4.4623 4.4623 4.7714 4.7714 5.0055 5.0055 5.0056 5.0056 5.3232 5.3232 5.5633 5.5633 5.5638 5.5638 7.7010 7.7010 7.7015 7.7015 8.1929 8.1929 8.4827 8.4827 8.4829 8.4829 9.5438 9.5438 9.5444 9.5444 10.2180 10.2180 10.3492 10.3492 10.3500 10.3500 16.2111 16.2111 16.8583 16.8583 17.0901 17.0901 18.0471 18.0471 18.0794 18.0794 18.1816 18.1816 18.6143 18.6143 k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): 4.1787 4.1787 4.1787 4.1787 4.3435 4.3435 4.3435 4.3435 4.4605 4.4605 4.7714 4.7714 5.0058 5.0058 5.0058 5.0058 5.3235 5.3235 5.5640 5.5640 5.5640 5.5640 7.7007 7.7007 7.7007 7.7007 8.1923 8.1923 8.4830 8.4830 8.4830 8.4830 9.5448 9.5448 9.5448 9.5448 10.2187 10.2187 10.3503 10.3503 10.3503 10.3503 16.2128 16.2128 16.8960 16.8960 17.0730 17.0730 18.0916 18.0916 18.0916 18.0916 18.1856 18.1856 18.5823 18.5823 k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): 4.1787 4.1787 4.1787 4.1787 4.3435 4.3435 4.3435 4.3435 4.4605 4.4605 4.7714 4.7714 5.0058 5.0058 5.0058 5.0058 5.3235 5.3235 5.5640 5.5640 5.5640 5.5640 7.7007 7.7007 7.7007 7.7007 8.1923 8.1923 8.4830 8.4830 8.4830 8.4830 9.5448 9.5448 9.5448 9.5448 10.2187 10.2187 10.3503 10.3503 10.3503 10.3503 16.2128 16.2128 16.8960 16.8960 17.0730 17.0730 18.0916 18.0916 18.0916 18.0916 18.1856 18.1856 18.5823 18.5823 k = 0.0122 0.0070 0.0050 ( 2649 PWs) bands (ev): 4.1788 4.1788 4.1789 4.1789 4.3431 4.3431 4.3436 4.3436 4.4624 4.4624 4.7714 4.7714 5.0055 5.0055 5.0057 5.0057 5.3233 5.3233 5.5635 5.5635 5.5635 5.5635 7.7010 7.7010 7.7015 7.7015 8.1929 8.1929 8.4828 8.4828 8.4829 8.4829 9.5438 9.5438 9.5444 9.5444 10.2179 10.2179 10.3493 10.3493 10.3499 10.3499 16.2110 16.2110 16.8569 16.8569 17.0909 17.0909 18.0493 18.0493 18.0756 18.0756 18.1813 18.1813 18.6156 18.6156 k = 0.0244 0.0141 0.0100 ( 2655 PWs) bands (ev): 4.1797 4.1797 4.1799 4.1799 4.3422 4.3422 4.3438 4.3438 4.4680 4.4680 4.7713 4.7713 5.0054 5.0054 5.0061 5.0061 5.3230 5.3230 5.5618 5.5618 5.5618 5.5618 7.7023 7.7023 7.7041 7.7041 8.1948 8.1948 8.4826 8.4826 8.4827 8.4827 9.5410 9.5410 9.5434 9.5434 10.2156 10.2156 10.3462 10.3462 10.3485 10.3485 16.2049 16.2049 16.7646 16.7646 17.1213 17.1213 17.9618 17.9618 18.0324 18.0324 18.1703 18.1703 18.6653 18.6653 k = 0.0366 0.0211 0.0149 ( 2661 PWs) bands (ev): 4.1812 4.1812 4.1819 4.1819 4.3406 4.3406 4.3443 4.3443 4.4774 4.4774 4.7713 4.7713 5.0052 5.0052 5.0066 5.0066 5.3228 5.3228 5.5590 5.5590 5.5591 5.5591 7.7043 7.7043 7.7085 7.7085 8.1978 8.1978 8.4824 8.4824 8.4826 8.4826 9.5363 9.5363 9.5417 9.5417 10.2116 10.2116 10.3412 10.3412 10.3463 10.3463 16.1914 16.1914 16.6441 16.6441 17.1448 17.1448 17.8745 17.8745 17.9719 17.9719 18.1543 18.1543 18.7174 18.7174 k = 0.0488 0.0282 0.0199 ( 2661 PWs) bands (ev): 4.1835 4.1835 4.1846 4.1846 4.3386 4.3386 4.3449 4.3449 4.4903 4.4903 4.7712 4.7712 5.0051 5.0051 5.0076 5.0076 5.3225 5.3225 5.5551 5.5551 5.5553 5.5553 7.7070 7.7070 7.7146 7.7146 8.2022 8.2022 8.4821 8.4821 8.4824 8.4824 9.5299 9.5299 9.5393 9.5393 10.2061 10.2061 10.3341 10.3341 10.3432 10.3432 16.1618 16.1618 16.5132 16.5132 17.1565 17.1565 17.8055 17.8055 17.9019 17.9019 18.1341 18.1341 18.7776 18.7776 k = 0.0610 0.0352 0.0249 ( 2661 PWs) bands (ev): 4.1864 4.1864 4.1881 4.1881 4.3362 4.3362 4.3457 4.3457 4.5066 4.5066 4.7712 4.7712 5.0050 5.0050 5.0090 5.0090 5.3222 5.3222 5.5501 5.5501 5.5504 5.5504 7.7104 7.7104 7.7224 7.7224 8.2078 8.2078 8.4817 8.4817 8.4822 8.4822 9.5217 9.5217 9.5362 9.5362 10.1992 10.1992 10.3251 10.3251 10.3392 10.3392 16.0936 16.0936 16.4006 16.4006 17.1543 17.1543 17.7603 17.7603 17.8276 17.8276 18.1107 18.1107 18.8411 18.8411 k = 0.0732 0.0422 0.0299 ( 2664 PWs) bands (ev): 4.1899 4.1899 4.1924 4.1924 4.3335 4.3335 4.3467 4.3467 4.5262 4.5262 4.7713 4.7713 5.0049 5.0049 5.0106 5.0106 5.3219 5.3219 5.5441 5.5441 5.5445 5.5445 7.7142 7.7142 7.7317 7.7317 8.2147 8.2147 8.4812 8.4812 8.4820 8.4820 9.5117 9.5117 9.5325 9.5325 10.1908 10.1908 10.3141 10.3141 10.3344 10.3344 15.9645 15.9645 16.3341 16.3341 17.1380 17.1380 17.7397 17.7397 17.7517 17.7517 18.0847 18.0847 18.8748 18.8748 k = 0.0854 0.0493 0.0349 ( 2667 PWs) bands (ev): 4.1940 4.1940 4.1973 4.1973 4.3306 4.3306 4.3478 4.3478 4.5488 4.5488 4.7715 4.7715 5.0047 5.0047 5.0126 5.0126 5.3216 5.3216 5.5370 5.5370 5.5376 5.5376 7.7184 7.7184 7.7426 7.7426 8.2228 8.2228 8.4807 8.4807 8.4817 8.4817 9.5001 9.5001 9.5282 9.5282 10.1811 10.1811 10.3013 10.3013 10.3288 10.3288 15.7895 15.7895 16.3034 16.3034 17.1092 17.1092 17.6759 17.6759 17.7410 17.7410 18.0567 18.0567 18.8484 18.8484 k = 0.0976 0.0563 0.0398 ( 2661 PWs) bands (ev): 4.1987 4.1987 4.2031 4.2031 4.3276 4.3276 4.3491 4.3491 4.5744 4.5744 4.7719 4.7719 5.0046 5.0046 5.0152 5.0152 5.3215 5.3215 5.5291 5.5291 5.5298 5.5298 7.7228 7.7228 7.7550 7.7550 8.2323 8.2323 8.4802 8.4802 8.4815 8.4815 9.4870 9.4870 9.5232 9.5232 10.1701 10.1701 10.2867 10.2867 10.3223 10.3223 15.5919 15.5919 16.2885 16.2885 17.0707 17.0707 17.6014 17.6014 17.7595 17.7595 18.0277 18.0277 18.8026 18.8026 k = 0.1098 0.0634 0.0448 ( 2652 PWs) bands (ev): 4.2041 4.2041 4.2095 4.2095 4.3247 4.3247 4.3506 4.3506 4.6026 4.6026 4.7727 4.7727 5.0045 5.0045 5.0182 5.0182 5.3214 5.3214 5.5203 5.5203 5.5212 5.5212 7.7273 7.7273 7.7688 7.7688 8.2430 8.2430 8.4798 8.4798 8.4813 8.4813 9.4724 9.4724 9.5176 9.5176 10.1580 10.1580 10.2704 10.2704 10.3150 10.3150 15.3833 15.3833 16.2805 16.2805 17.0259 17.0259 17.5287 17.5287 17.7891 17.7891 17.9997 17.9997 18.7519 18.7519 k = 0.1220 0.0704 0.0498 ( 2646 PWs) bands (ev): 4.2099 4.2099 4.2164 4.2164 4.3218 4.3218 4.3523 4.3523 4.6330 4.6330 4.7740 4.7740 5.0043 5.0043 5.0218 5.0218 5.3215 5.3215 5.5108 5.5108 5.5118 5.5118 7.7316 7.7316 7.7839 7.7839 8.2551 8.2551 8.4795 8.4795 8.4812 8.4812 9.4565 9.4565 9.5114 9.5114 10.1447 10.1447 10.2525 10.2525 10.3069 10.3069 15.1691 15.1691 16.2757 16.2757 16.9775 16.9775 17.4584 17.4584 17.8200 17.8200 17.9788 17.9788 18.7007 18.7007 k = 0.1341 0.0774 0.0548 ( 2649 PWs) bands (ev): 4.2162 4.2162 4.2239 4.2239 4.3186 4.3186 4.3539 4.3539 4.6651 4.6651 4.7758 4.7758 5.0043 5.0043 5.0261 5.0261 5.3220 5.3220 5.5002 5.5002 5.5014 5.5014 7.7355 7.7355 7.8002 7.8002 8.2683 8.2683 8.4792 8.4792 8.4811 8.4811 9.4394 9.4394 9.5045 9.5045 10.1304 10.1304 10.2329 10.2329 10.2981 10.2981 14.9518 14.9518 16.2730 16.2730 16.9273 16.9273 17.3907 17.3907 17.8346 17.8346 17.9788 17.9788 18.6519 18.6519 k = 0.1463 0.0845 0.0597 ( 2643 PWs) bands (ev): 4.2229 4.2229 4.2319 4.2319 4.3155 4.3155 4.3559 4.3559 4.6978 4.6978 4.7792 4.7792 5.0042 5.0042 5.0315 5.0315 5.3228 5.3228 5.4894 5.4894 5.4906 5.4906 7.7389 7.7389 7.8176 7.8176 8.2828 8.2828 8.4792 8.4792 8.4811 8.4811 9.4214 9.4214 9.4971 9.4971 10.1152 10.1152 10.2118 10.2118 10.2886 10.2886 14.7333 14.7333 16.2715 16.2715 16.8768 16.8768 17.3259 17.3259 17.8209 17.8209 18.0078 18.0078 18.6097 18.6097 k = 0.1585 0.0915 0.0647 ( 2631 PWs) bands (ev): 4.2301 4.2301 4.2403 4.2403 4.3127 4.3127 4.3582 4.3582 4.7284 4.7284 4.7859 4.7859 5.0040 5.0040 5.0383 5.0383 5.3245 5.3245 5.4780 5.4780 5.4793 5.4793 7.7415 7.7415 7.8360 7.8360 8.2985 8.2985 8.4796 8.4796 8.4813 8.4813 9.4024 9.4024 9.4892 9.4892 10.0991 10.0991 10.1894 10.1894 10.2784 10.2784 14.5147 14.5147 16.2709 16.2709 16.8269 16.8269 17.2642 17.2642 17.7899 17.7899 18.0487 18.0487 18.5801 18.5801 k = 0.1707 0.0986 0.0697 ( 2631 PWs) bands (ev): 4.2377 4.2377 4.2492 4.2492 4.3098 4.3098 4.3605 4.3605 4.7515 4.7515 4.8003 4.8003 5.0039 5.0039 5.0469 5.0469 5.3272 5.3272 5.4657 5.4657 5.4671 5.4671 7.7433 7.7433 7.8553 7.8553 8.3151 8.3151 8.4804 8.4804 8.4815 8.4815 9.3829 9.3829 9.4807 9.4807 10.0822 10.0822 10.1656 10.1656 10.2676 10.2676 14.2967 14.2967 16.2711 16.2711 16.7780 16.7780 17.2058 17.2058 17.7515 17.7515 18.0826 18.0826 18.5720 18.5720 k = 0.1829 0.1056 0.0747 ( 2632 PWs) bands (ev): 4.2457 4.2457 4.2583 4.2583 4.3073 4.3073 4.3629 4.3629 4.7638 4.7638 4.8246 4.8246 5.0038 5.0038 5.0580 5.0580 5.3317 5.3317 5.4529 5.4529 5.4545 5.4545 7.7440 7.7440 7.8754 7.8754 8.3325 8.3325 8.4819 8.4819 8.4819 8.4819 9.3629 9.3629 9.4716 9.4716 10.0646 10.0646 10.1406 10.1406 10.2561 10.2561 14.0800 14.0800 16.2719 16.2719 16.7307 16.7307 17.1506 17.1506 17.7097 17.7097 18.0967 18.0967 18.5647 18.5647 k = 0.1951 0.1127 0.0797 ( 2629 PWs) bands (ev): 4.2540 4.2540 4.2678 4.2678 4.3050 4.3050 4.3655 4.3655 4.7704 4.7704 4.8523 4.8523 5.0038 5.0038 5.0721 5.0721 5.3388 5.3388 5.4396 5.4396 5.4414 5.4414 7.7435 7.7435 7.8961 7.8961 8.3504 8.3504 8.4824 8.4824 8.4844 8.4844 9.3428 9.3428 9.4621 9.4621 10.0462 10.0462 10.1146 10.1146 10.2442 10.2442 13.8650 13.8650 16.2734 16.2734 16.6852 16.6852 17.0989 17.0989 17.6662 17.6662 18.0871 18.0871 18.5042 18.5042 k = 0.2073 0.1197 0.0846 ( 2629 PWs) bands (ev): 4.2626 4.2626 4.2771 4.2771 4.3034 4.3034 4.3681 4.3681 4.7751 4.7751 4.8780 4.8780 5.0038 5.0038 5.0890 5.0890 5.3497 5.3497 5.4260 5.4260 5.4280 5.4280 7.7417 7.7417 7.9175 7.9175 8.3684 8.3684 8.4831 8.4831 8.4883 8.4883 9.3226 9.3226 9.4521 9.4521 10.0271 10.0271 10.0877 10.0877 10.2317 10.2317 13.6521 13.6521 16.2753 16.2753 16.6418 16.6418 17.0507 17.0507 17.6218 17.6218 18.0587 18.0587 18.4422 18.4422 k = 0.2195 0.1267 0.0896 ( 2623 PWs) bands (ev): 4.2713 4.2713 4.2858 4.2858 4.3031 4.3031 4.3710 4.3710 4.7793 4.7793 4.8995 4.8995 5.0039 5.0039 5.1078 5.1078 5.3656 5.3656 5.4122 5.4122 5.4153 5.4153 7.7384 7.7384 7.9393 7.9393 8.3857 8.3857 8.4840 8.4840 8.4945 8.4945 9.3028 9.3028 9.4416 9.4416 10.0073 10.0073 10.0600 10.0600 10.2188 10.2188 13.4416 13.4416 16.2778 16.2778 16.6006 16.6006 17.0061 17.0061 17.5770 17.5770 18.0185 18.0185 18.3790 18.3790 k = 0.2317 0.1338 0.0946 ( 2623 PWs) bands (ev): 4.2803 4.2803 4.2919 4.2919 4.3060 4.3060 4.3739 4.3739 4.7836 4.7836 4.9164 4.9164 5.0041 5.0041 5.1264 5.1264 5.3834 5.3834 5.3979 5.3979 5.4078 5.4078 7.7335 7.7335 7.9614 7.9614 8.4016 8.4016 8.4851 8.4851 8.5035 8.5035 9.2834 9.2834 9.4308 9.4308 9.9864 9.9864 10.0321 10.0321 10.2056 10.2056 13.2339 13.2339 16.2807 16.2807 16.5616 16.5616 16.9651 16.9651 17.5323 17.5323 17.9718 17.9718 18.3148 18.3148 k = 0.2439 0.1408 0.0996 ( 2626 PWs) bands (ev): 4.2894 4.2894 4.2940 4.2940 4.3132 4.3132 4.3769 4.3769 4.7881 4.7881 4.9292 4.9292 5.0045 5.0045 5.1422 5.1422 5.3797 5.3797 5.3833 5.3833 5.4308 5.4308 7.7271 7.7271 7.9838 7.9838 8.4152 8.4152 8.4863 8.4863 8.5163 8.5163 9.2646 9.2646 9.4196 9.4196 9.9644 9.9644 10.0042 10.0042 10.1920 10.1920 13.0293 13.0293 16.2841 16.2841 16.5250 16.5250 16.9278 16.9278 17.4880 17.4880 17.9215 17.9215 18.2499 18.2499 k = 0.2561 0.1479 0.1046 ( 2620 PWs) bands (ev): 4.2945 4.2945 4.2985 4.2985 4.3225 4.3225 4.3803 4.3803 4.7930 4.7930 4.9387 4.9387 5.0050 5.0050 5.1539 5.1539 5.3664 5.3664 5.3688 5.3688 5.4732 5.4732 7.7189 7.7189 8.0063 8.0063 8.4265 8.4265 8.4878 8.4878 8.5329 8.5329 9.2468 9.2468 9.4081 9.4081 9.9407 9.9407 9.9770 9.9770 10.1783 10.1783 12.8278 12.8278 16.2879 16.2879 16.4908 16.4908 16.8941 16.8941 17.4444 17.4444 17.8696 17.8696 18.1845 18.1845 k = 0.2683 0.1549 0.1095 ( 2617 PWs) bands (ev): 4.2951 4.2951 4.3077 4.3077 4.3324 4.3324 4.3834 4.3834 4.7982 4.7982 4.9461 4.9461 5.0058 5.0058 5.1612 5.1612 5.3516 5.3516 5.3540 5.3540 5.5256 5.5256 7.7090 7.7090 8.0288 8.0288 8.4358 8.4358 8.4893 8.4893 8.5531 8.5531 9.2299 9.2299 9.3964 9.3964 9.9148 9.9148 9.9512 9.9512 10.1644 10.1644 12.6301 12.6301 16.2921 16.2921 16.4591 16.4591 16.8641 16.8641 17.4017 17.4017 17.8171 17.8171 18.1190 18.1190 k = 0.2805 0.1619 0.1145 ( 2617 PWs) bands (ev): 4.2959 4.2959 4.3169 4.3169 4.3423 4.3423 4.3867 4.3867 4.8039 4.8039 4.9517 4.9517 5.0067 5.0067 5.1645 5.1645 5.3363 5.3363 5.3391 5.3391 5.5857 5.5857 7.6972 7.6972 8.0513 8.0513 8.4437 8.4437 8.4911 8.4911 8.5761 8.5761 9.2141 9.2141 9.3844 9.3844 9.8867 9.8867 9.9270 9.9270 10.1504 10.1504 12.4362 12.4362 16.2967 16.2967 16.4298 16.4298 16.8378 16.8378 17.3601 17.3601 17.7648 17.7648 18.0534 18.0534 k = 0.2927 0.1690 0.1195 ( 2623 PWs) bands (ev): 4.2972 4.2972 4.3259 4.3259 4.3519 4.3519 4.3900 4.3900 4.8101 4.8101 4.9560 4.9560 5.0077 5.0077 5.1646 5.1646 5.3207 5.3207 5.3242 5.3242 5.6519 5.6519 7.6836 7.6836 8.0736 8.0736 8.4512 8.4512 8.4929 8.4929 8.6012 8.6012 9.1995 9.1995 9.3723 9.3723 9.8570 9.8570 9.9041 9.9041 10.1365 10.1365 12.2465 12.2465 16.3015 16.3015 16.4031 16.4031 16.8151 16.8151 17.3197 17.3197 17.7132 17.7132 17.9881 17.9881 k = 0.3049 0.1760 0.1245 ( 2611 PWs) bands (ev): 4.2992 4.2992 4.3350 4.3350 4.3615 4.3615 4.3932 4.3932 4.8167 4.8167 4.9600 4.9600 5.0093 5.0093 5.1625 5.1625 5.3049 5.3049 5.3092 5.3092 5.7230 5.7230 7.6681 7.6681 8.0957 8.0957 8.4589 8.4589 8.4949 8.4949 8.6277 8.6277 9.1860 9.1860 9.3602 9.3602 9.8263 9.8263 9.8822 9.8822 10.1227 10.1227 12.0614 12.0614 16.3064 16.3064 16.3790 16.3790 16.7961 16.7961 17.2808 17.2808 17.6627 17.6627 17.9233 17.9233 k = 0.3171 0.1831 0.1294 ( 2605 PWs) bands (ev): 4.3017 4.3017 4.3438 4.3438 4.3706 4.3706 4.3965 4.3965 4.8238 4.8238 4.9634 4.9634 5.0112 5.0112 5.1583 5.1583 5.2891 5.2891 5.2944 5.2944 5.7979 5.7979 7.6505 7.6505 8.1173 8.1173 8.4674 8.4674 8.4970 8.4970 8.6551 8.6551 9.1737 9.1737 9.3480 9.3480 9.7951 9.7951 9.8610 9.8610 10.1091 10.1091 11.8811 11.8811 16.3108 16.3108 16.3580 16.3580 16.7808 16.7808 17.2435 17.2435 17.6135 17.6135 17.8591 17.8591 k = 0.3293 0.1901 0.1344 ( 2593 PWs) bands (ev): 4.3049 4.3049 4.3522 4.3522 4.3791 4.3791 4.4000 4.4000 4.8316 4.8316 4.9667 4.9667 5.0133 5.0133 5.1524 5.1524 5.2734 5.2734 5.2798 5.2798 5.8757 5.8757 7.6310 7.6310 8.1385 8.1385 8.4770 8.4770 8.4991 8.4991 8.6831 8.6831 9.1623 9.1623 9.3360 9.3360 9.7640 9.7640 9.8404 9.8404 10.0957 10.0957 11.7060 11.7060 16.3126 16.3126 16.3422 16.3422 16.7690 16.7690 17.2079 17.2079 17.5659 17.5659 17.7958 17.7958 k = 0.3415 0.1971 0.1394 ( 2599 PWs) bands (ev): 4.3084 4.3084 4.3603 4.3603 4.3870 4.3870 4.4032 4.4032 4.8396 4.8396 4.9699 4.9699 5.0157 5.0157 5.1451 5.1451 5.2573 5.2573 5.2650 5.2650 5.9558 5.9558 7.6094 7.6094 8.1590 8.1590 8.4881 8.4881 8.5012 8.5012 8.7112 8.7112 9.1515 9.1515 9.3241 9.3241 9.7333 9.7333 9.8203 9.8203 10.0828 10.0828 11.5366 11.5366 16.3064 16.3064 16.3367 16.3367 16.7607 16.7607 17.1742 17.1742 17.5202 17.5202 17.7336 17.7336 k = 0.3537 0.2042 0.1444 ( 2605 PWs) bands (ev): 4.3124 4.3124 4.3680 4.3680 4.3940 4.3940 4.4064 4.4064 4.8481 4.8481 4.9732 4.9732 5.0184 5.0184 5.1367 5.1367 5.2414 5.2414 5.2505 5.2505 6.0374 6.0374 7.5857 7.5857 8.1788 8.1788 8.5011 8.5011 8.5032 8.5032 8.7393 8.7393 9.1411 9.1411 9.3125 9.3125 9.7034 9.7034 9.8009 9.8009 10.0703 10.0703 11.3734 11.3734 16.2941 16.2941 16.3396 16.3396 16.7558 16.7558 17.1423 17.1423 17.4765 17.4765 17.6728 17.6728 k = 0.3659 0.2112 0.1494 ( 2605 PWs) bands (ev): 4.3170 4.3170 4.3752 4.3752 4.4004 4.4004 4.4094 4.4094 4.8570 4.8570 4.9770 4.9770 5.0217 5.0217 5.1275 5.1275 5.2255 5.2255 5.2364 5.2364 6.1200 6.1200 7.5598 7.5598 8.1978 8.1978 8.5050 8.5050 8.5163 8.5163 8.7670 8.7670 9.1306 9.1306 9.3012 9.3012 9.6748 9.6748 9.7823 9.7823 10.0585 10.0585 11.2169 11.2169 16.2812 16.2812 16.3451 16.3451 16.7542 16.7542 17.1124 17.1124 17.4351 17.4351 17.6134 17.6134 k = 0.3780 0.2183 0.1543 ( 2605 PWs) bands (ev): 4.3219 4.3219 4.3820 4.3820 4.4059 4.4059 4.4124 4.4124 4.8664 4.8664 4.9813 4.9813 5.0253 5.0253 5.1175 5.1175 5.2098 5.2098 5.2225 5.2225 6.2031 6.2031 7.5318 7.5318 8.2159 8.2159 8.5068 8.5068 8.5339 8.5339 8.7940 8.7940 9.1194 9.1194 9.2905 9.2905 9.6481 9.6481 9.7649 9.7649 10.0472 10.0472 11.0677 11.0677 16.2694 16.2694 16.3515 16.3515 16.7558 16.7558 17.0847 17.0847 17.3963 17.3963 17.5559 17.5559 k = 0.3902 0.2253 0.1593 ( 2599 PWs) bands (ev): 4.3271 4.3271 4.3882 4.3882 4.4106 4.4106 4.4152 4.4152 4.8761 4.8761 4.9863 4.9863 5.0296 5.0296 5.1069 5.1069 5.1941 5.1941 5.2088 5.2088 6.2859 6.2859 7.5016 7.5016 8.2329 8.2329 8.5084 8.5084 8.5541 8.5541 8.8202 8.8202 9.1069 9.1069 9.2803 9.2803 9.6236 9.6236 9.7488 9.7488 10.0368 10.0368 10.9265 10.9265 16.2590 16.2590 16.3581 16.3581 16.7604 16.7604 17.0592 17.0592 17.3601 17.3601 17.5004 17.5004 k = 0.4024 0.2323 0.1643 ( 2599 PWs) bands (ev): 4.3326 4.3326 4.3939 4.3939 4.4142 4.4142 4.4179 4.4179 4.8862 4.8862 4.9918 4.9918 5.0342 5.0342 5.0958 5.0958 5.1787 5.1787 5.1955 5.1955 6.3677 6.3677 7.4692 7.4692 8.2487 8.2487 8.5097 8.5097 8.5771 8.5771 8.8451 8.8451 9.0922 9.0922 9.2707 9.2707 9.6020 9.6020 9.7344 9.7344 10.0272 10.0272 10.7941 10.7941 16.2500 16.2500 16.3648 16.3648 16.7678 16.7678 17.0361 17.0361 17.3269 17.3269 17.4474 17.4474 k = 0.4146 0.2394 0.1693 ( 2593 PWs) bands (ev): 4.3382 4.3382 4.3989 4.3989 4.4170 4.4170 4.4204 4.4204 4.8967 4.8967 4.9981 4.9981 5.0392 5.0392 5.0842 5.0842 5.1635 5.1635 5.1828 5.1828 6.4478 6.4478 7.4348 7.4348 8.2632 8.2632 8.5108 8.5108 8.6030 8.6030 8.8684 8.8684 9.0748 9.0748 9.2621 9.2621 9.5836 9.5836 9.7222 9.7222 10.0185 10.0185 10.6714 10.6714 16.2425 16.2425 16.3713 16.3713 16.7776 16.7776 17.0153 17.0153 17.2968 17.2968 17.3970 17.3970 k = 0.4268 0.2464 0.1743 ( 2593 PWs) bands (ev): 4.3438 4.3438 4.4032 4.4032 4.4188 4.4188 4.4227 4.4227 4.9074 4.9074 5.0051 5.0051 5.0446 5.0446 5.0724 5.0724 5.1486 5.1486 5.1705 5.1705 6.5254 6.5254 7.3985 7.3985 8.2763 8.2763 8.5117 8.5117 8.6318 8.6318 8.8897 8.8897 9.0538 9.0538 9.2543 9.2543 9.5686 9.5686 9.7126 9.7126 10.0108 10.0108 10.5594 10.5594 16.2362 16.2362 16.3773 16.3773 16.7895 16.7895 16.9970 16.9970 17.2701 17.2701 17.3499 17.3499 k = 0.4390 0.2535 0.1792 ( 2590 PWs) bands (ev): 4.3491 4.3491 4.4070 4.4070 4.4200 4.4200 4.4247 4.4247 4.9182 4.9182 5.0129 5.0129 5.0505 5.0505 5.0607 5.0607 5.1340 5.1340 5.1587 5.1587 6.5992 6.5992 7.3610 7.3610 8.2876 8.2876 8.5124 8.5124 8.6634 8.6634 8.9087 8.9087 9.0291 9.0291 9.2474 9.2474 9.5570 9.5570 9.7061 9.7061 10.0041 10.0041 10.4595 10.4595 16.2311 16.2311 16.3829 16.3829 16.8029 16.8029 16.9814 16.9814 17.2471 17.2471 17.3066 17.3066 k = 0.4512 0.2605 0.1842 ( 2590 PWs) bands (ev): 4.3540 4.3540 4.4100 4.4100 4.4204 4.4204 4.4264 4.4264 4.9288 4.9288 5.0214 5.0214 5.0491 5.0491 5.0567 5.0567 5.1198 5.1198 5.1477 5.1477 6.6679 6.6679 7.3230 7.3230 8.2972 8.2972 8.5128 8.5128 8.6975 8.6975 8.9250 8.9250 9.0006 9.0006 9.2417 9.2417 9.5484 9.5484 9.7027 9.7027 9.9986 9.9986 10.3730 10.3730 16.2270 16.2270 16.3877 16.3877 16.8170 16.8170 16.9684 16.9684 17.2279 17.2279 17.2681 17.2681 k = 0.4634 0.2676 0.1892 ( 2605 PWs) bands (ev): 4.3582 4.3582 4.4122 4.4122 4.4202 4.4202 4.4276 4.4276 4.9388 4.9388 5.0304 5.0304 5.0381 5.0381 5.0627 5.0627 5.1061 5.1061 5.1376 5.1376 6.7291 6.7291 7.2862 7.2862 8.3049 8.3049 8.5130 8.5130 8.7337 8.7337 8.9380 8.9380 8.9686 8.9686 9.2370 9.2370 9.5424 9.5424 9.7023 9.7023 9.9943 9.9943 10.3019 10.3019 16.2240 16.2240 16.3917 16.3917 16.8306 16.8306 16.9582 16.9582 17.2127 17.2127 17.2353 17.2353 k = 0.4756 0.2746 0.1942 ( 2608 PWs) bands (ev): 4.3614 4.3614 4.4139 4.4139 4.4199 4.4199 4.4286 4.4286 4.9478 4.9478 5.0283 5.0283 5.0403 5.0403 5.0685 5.0685 5.0932 5.0932 5.1290 5.1290 6.7795 6.7795 7.2536 7.2536 8.3104 8.3104 8.5132 8.5132 8.7712 8.7712 8.9339 8.9339 8.9476 8.9476 9.2337 9.2337 9.5384 9.5384 9.7038 9.7038 9.9911 9.9911 10.2483 10.2483 16.2219 16.2219 16.3946 16.3946 16.8423 16.8423 16.9509 16.9509 17.2017 17.2017 17.2099 17.2099 k = 0.4878 0.2816 0.1991 ( 2608 PWs) bands (ev): 4.3635 4.3635 4.4149 4.4149 4.4196 4.4196 4.4293 4.4293 4.9546 4.9546 5.0211 5.0211 5.0495 5.0495 5.0730 5.0730 5.0820 5.0820 5.1229 5.1229 6.8138 6.8138 7.2301 7.2301 8.3138 8.3138 8.5132 8.5132 8.8081 8.8081 8.8987 8.8987 8.9535 8.9535 9.2317 9.2317 9.5362 9.5362 9.7058 9.7058 9.9892 9.9892 10.2147 10.2147 16.2206 16.2206 16.3964 16.3964 16.8504 16.8504 16.9465 16.9465 17.1936 17.1936 17.1950 17.1950 k = 0.5000 0.2887 0.2041 ( 2608 PWs) bands (ev): 4.3643 4.3643 4.4152 4.4152 4.4194 4.4194 4.4295 4.4295 4.9572 4.9572 5.0184 5.0184 5.0547 5.0547 5.0747 5.0747 5.0762 5.0762 5.1206 5.1206 6.8263 6.8263 7.2213 7.2213 8.3150 8.3150 8.5133 8.5133 8.8318 8.8318 8.8756 8.8756 8.9555 8.9555 9.2310 9.2310 9.5354 9.5354 9.7067 9.7067 9.9886 9.9886 10.2033 10.2033 16.2202 16.2202 16.3970 16.3970 16.8533 16.8533 16.9450 16.9450 17.1879 17.1879 17.1928 17.1928 k = 0.5000 0.2887 0.2041 ( 2608 PWs) bands (ev): 4.3643 4.3643 4.4152 4.4152 4.4194 4.4194 4.4295 4.4295 4.9572 4.9572 5.0184 5.0184 5.0547 5.0547 5.0747 5.0747 5.0762 5.0762 5.1206 5.1206 6.8263 6.8263 7.2213 7.2213 8.3150 8.3150 8.5133 8.5133 8.8318 8.8318 8.8756 8.8756 8.9555 8.9555 9.2310 9.2310 9.5354 9.5354 9.7067 9.7067 9.9886 9.9886 10.2033 10.2033 16.2202 16.2202 16.3970 16.3970 16.8533 16.8533 16.9450 16.9450 17.1879 17.1879 17.1928 17.1928 k = 0.5043 0.2762 0.2112 ( 2608 PWs) bands (ev): 4.3639 4.3639 4.4138 4.4138 4.4205 4.4205 4.4295 4.4295 4.9571 4.9571 5.0173 5.0173 5.0548 5.0548 5.0699 5.0699 5.0820 5.0820 5.1210 5.1210 6.8283 6.8283 7.2229 7.2229 8.3146 8.3146 8.5129 8.5129 8.8300 8.8300 8.8759 8.8759 8.9556 8.9556 9.2318 9.2318 9.5348 9.5348 9.7075 9.7075 9.9893 9.9893 10.2036 10.2036 16.1451 16.1451 16.4137 16.4137 16.8022 16.8022 16.9072 16.9072 17.2365 17.2365 17.3006 17.3006 k = 0.5086 0.2638 0.2182 ( 2607 PWs) bands (ev): 4.3628 4.3628 4.4111 4.4111 4.4222 4.4222 4.4294 4.4294 4.9566 4.9566 5.0145 5.0145 5.0541 5.0541 5.0663 5.0663 5.0890 5.0890 5.1224 5.1224 6.8344 6.8344 7.2279 7.2279 8.3135 8.3135 8.5118 8.5118 8.8248 8.8248 8.8767 8.8767 8.9558 8.9558 9.2342 9.2342 9.5330 9.5330 9.7097 9.7097 9.9915 9.9915 10.2046 10.2046 15.9912 15.9912 16.3867 16.3867 16.6884 16.6884 16.9186 16.9186 17.3468 17.3468 17.5008 17.5008 k = 0.5129 0.2513 0.2252 ( 2602 PWs) bands (ev): 4.3610 4.3610 4.4080 4.4080 4.4238 4.4238 4.4294 4.4294 4.9560 4.9560 5.0106 5.0106 5.0514 5.0514 5.0658 5.0658 5.0963 5.0963 5.1248 5.1248 6.8446 6.8446 7.2362 7.2362 8.3117 8.3117 8.5101 8.5101 8.8171 8.8171 8.8774 8.8774 8.9562 8.9562 9.2380 9.2380 9.5304 9.5304 9.7131 9.7131 9.9952 9.9952 10.2062 10.2062 15.8049 15.8049 16.2924 16.2924 16.5807 16.5807 16.9872 16.9872 17.4854 17.4854 17.7268 17.7268 k = 0.5172 0.2389 0.2323 ( 2601 PWs) bands (ev): 4.3587 4.3587 4.4045 4.4045 4.4248 4.4248 4.4294 4.4294 4.9550 4.9550 5.0059 5.0059 5.0470 5.0470 5.0673 5.0673 5.1035 5.1035 5.1282 5.1282 6.8587 6.8587 7.2477 7.2477 8.3092 8.3092 8.5075 8.5075 8.8075 8.8075 8.8774 8.8774 8.9566 8.9566 9.2429 9.2429 9.5271 9.5271 9.7176 9.7176 10.0002 10.0002 10.2086 10.2086 15.6006 15.6006 16.1637 16.1637 16.4869 16.4869 17.0853 17.0853 17.6381 17.6381 17.9659 17.9659 k = 0.5216 0.2265 0.2393 ( 2599 PWs) bands (ev): 4.3558 4.3558 4.4009 4.4009 4.4249 4.4249 4.4298 4.4298 4.9536 4.9536 5.0010 5.0010 5.0423 5.0423 5.0695 5.0695 5.1102 5.1102 5.1332 5.1332 6.8766 6.8766 7.2623 7.2623 8.3062 8.3062 8.5043 8.5043 8.7966 8.7966 8.8768 8.8768 8.9571 8.9571 9.2488 9.2488 9.5236 9.5236 9.7228 9.7228 10.0066 10.0066 10.2116 10.2116 15.3859 15.3859 16.0226 16.0226 16.4031 16.4031 17.1973 17.1973 17.7992 17.7992 18.2133 18.2133 k = 0.5259 0.2140 0.2464 ( 2596 PWs) bands (ev): 4.3525 4.3525 4.3972 4.3972 4.4240 4.4240 4.4306 4.4306 4.9520 4.9520 4.9961 4.9961 5.0375 5.0375 5.0719 5.0719 5.1162 5.1162 5.1396 5.1396 6.8983 6.8983 7.2799 7.2799 8.3026 8.3026 8.5003 8.5003 8.7847 8.7847 8.8753 8.8753 8.9577 8.9577 9.2551 9.2551 9.5205 9.5205 9.7284 9.7284 10.0143 10.0143 10.2154 10.2154 15.1652 15.1652 15.8777 15.8777 16.3269 16.3269 17.3175 17.3175 17.9659 17.9659 18.4665 18.4665 k = 0.5302 0.2016 0.2534 ( 2600 PWs) bands (ev): 4.3487 4.3487 4.3933 4.3933 4.4222 4.4222 4.4314 4.4314 4.9500 4.9500 4.9913 4.9913 5.0330 5.0330 5.0743 5.0743 5.1212 5.1212 5.1473 5.1473 6.9236 6.9236 7.3003 7.3003 8.2986 8.2986 8.4955 8.4955 8.7722 8.7722 8.8731 8.8731 8.9584 8.9584 9.2616 9.2616 9.5180 9.5180 9.7341 9.7341 10.0232 10.0232 10.2200 10.2200 14.9417 14.9417 15.7322 15.7322 16.2571 16.2571 17.4438 17.4438 18.1369 18.1369 18.7240 18.7240 k = 0.5345 0.1891 0.2604 ( 2602 PWs) bands (ev): 4.3447 4.3447 4.3894 4.3894 4.4196 4.4196 4.4323 4.4323 4.9478 4.9478 4.9867 4.9867 5.0287 5.0287 5.0767 5.0767 5.1256 5.1256 5.1561 5.1561 6.9521 6.9521 7.3233 7.3233 8.2943 8.2943 8.4900 8.4900 8.7592 8.7592 8.8704 8.8704 8.9591 8.9591 9.2680 9.2680 9.5167 9.5167 9.7398 9.7398 10.0330 10.0330 10.2255 10.2255 14.7173 14.7173 15.5875 15.5875 16.1928 16.1928 17.5755 17.5755 18.3113 18.3113 18.9847 18.9847 k = 0.5388 0.1767 0.2675 ( 2601 PWs) bands (ev): 4.3404 4.3404 4.3856 4.3856 4.4165 4.4165 4.4331 4.4331 4.9453 4.9453 4.9824 4.9824 5.0247 5.0247 5.0791 5.0791 5.1296 5.1296 5.1656 5.1656 6.9839 6.9839 7.3487 7.3487 8.2898 8.2898 8.4838 8.4838 8.7460 8.7460 8.8673 8.8673 8.9599 8.9599 9.2740 9.2740 9.5170 9.5170 9.7453 9.7453 10.0437 10.0437 10.2320 10.2320 14.4933 14.4933 15.4444 15.4444 16.1334 16.1334 17.7123 17.7123 18.4885 18.4885 19.2479 19.2479 k = 0.5431 0.1642 0.2745 ( 2601 PWs) bands (ev): 4.3359 4.3359 4.3820 4.3820 4.4126 4.4126 4.4339 4.4339 4.9427 4.9427 4.9784 4.9784 5.0210 5.0210 5.0814 5.0814 5.1333 5.1333 5.1756 5.1756 7.0185 7.0185 7.3762 7.3762 8.2853 8.2853 8.4768 8.4768 8.7327 8.7327 8.8641 8.8641 8.9606 8.9606 9.2793 9.2793 9.5190 9.5190 9.7505 9.7505 10.0549 10.0549 10.2398 10.2398 14.2708 14.2708 15.3032 15.3032 16.0784 16.0784 17.8539 17.8539 18.6682 18.6682 19.5128 19.5128 k = 0.5474 0.1518 0.2816 ( 2599 PWs) bands (ev): 4.3312 4.3312 4.3785 4.3785 4.4083 4.4083 4.4346 4.4346 4.9399 4.9399 4.9746 4.9746 5.0176 5.0176 5.0838 5.0838 5.1368 5.1368 5.1858 5.1858 7.0558 7.0558 7.4055 7.4055 8.2810 8.2810 8.4692 8.4692 8.7194 8.7194 8.8610 8.8610 8.9613 8.9613 9.2839 9.2839 9.5231 9.5231 9.7553 9.7553 10.0663 10.0663 10.2490 10.2490 14.0503 14.0503 15.1643 15.1643 16.0276 16.0276 18.0004 18.0004 18.8501 18.8501 19.7788 19.7788 k = 0.5517 0.1394 0.2886 ( 2599 PWs) bands (ev): 4.3261 4.3261 4.3753 4.3753 4.4034 4.4034 4.4353 4.4353 4.9371 4.9371 4.9712 4.9712 5.0144 5.0144 5.0862 5.0862 5.1403 5.1403 5.1961 5.1961 7.0954 7.0954 7.4363 7.4363 8.2769 8.2769 8.4610 8.4610 8.7062 8.7062 8.8585 8.8585 8.9618 8.9618 9.2879 9.2879 9.5291 9.5291 9.7597 9.7597 10.0775 10.0775 10.2598 10.2598 13.8324 13.8324 15.0278 15.0278 15.9805 15.9805 18.1517 18.1517 19.0339 19.0339 20.0449 20.0449 k = 0.5560 0.1269 0.2956 ( 2603 PWs) bands (ev): 4.3208 4.3208 4.3725 4.3725 4.3979 4.3979 4.4359 4.4359 4.9340 4.9340 4.9680 4.9680 5.0113 5.0113 5.0886 5.0886 5.1436 5.1436 5.2065 5.2065 7.1369 7.1369 7.4682 7.4682 8.2733 8.2733 8.4523 8.4523 8.6931 8.6931 8.8567 8.8567 8.9620 8.9620 9.2916 9.2916 9.5371 9.5371 9.7639 9.7639 10.0881 10.0881 10.2725 10.2725 13.6177 13.6177 14.8939 14.8939 15.9369 15.9369 18.3076 18.3076 19.2195 19.2195 20.3098 20.3098 k = 0.5603 0.1145 0.3027 ( 2599 PWs) bands (ev): 4.3153 4.3153 4.3701 4.3701 4.3922 4.3922 4.4365 4.4365 4.9310 4.9310 4.9654 4.9654 5.0083 5.0083 5.0911 5.0911 5.1469 5.1469 5.2171 5.2171 7.1801 7.1801 7.5007 7.5007 8.2702 8.2702 8.4432 8.4432 8.6802 8.6802 8.8561 8.8561 8.9621 8.9621 9.2953 9.2953 9.5467 9.5467 9.7678 9.7678 10.0979 10.0979 10.2873 10.2873 13.4065 13.4065 14.7628 14.7628 15.8965 15.8965 18.4681 18.4681 19.4067 19.4067 20.5690 20.5690 k = 0.5647 0.1020 0.3097 ( 2603 PWs) bands (ev): 4.3093 4.3093 4.3682 4.3682 4.3862 4.3862 4.4370 4.4370 4.9278 4.9278 4.9632 4.9632 5.0052 5.0052 5.0936 5.0936 5.1500 5.1500 5.2275 5.2275 7.2243 7.2243 7.5334 7.5334 8.2675 8.2675 8.4338 8.4338 8.6675 8.6675 8.8570 8.8570 8.9617 8.9617 9.2993 9.2993 9.5576 9.5576 9.7717 9.7717 10.1064 10.1064 10.3043 10.3043 13.1994 13.1994 14.6347 14.6347 15.8592 15.8592 18.6328 18.6328 19.5951 19.5951 20.7804 20.7804 k = 0.5690 0.0896 0.3167 ( 2601 PWs) bands (ev): 4.3031 4.3031 4.3669 4.3669 4.3800 4.3800 4.4376 4.4376 4.9245 4.9245 4.9617 4.9617 5.0020 5.0020 5.0962 5.0962 5.1532 5.1532 5.2380 5.2380 7.2693 7.2693 7.5660 7.5660 8.2652 8.2652 8.4246 8.4246 8.6552 8.6552 8.8597 8.8597 8.9612 8.9612 9.3041 9.3041 9.5694 9.5694 9.7757 9.7757 10.1136 10.1136 10.3234 10.3234 12.9968 12.9968 14.5098 14.5098 15.8247 15.8247 18.8014 18.8014 19.7843 19.7843 20.7136 20.7136 k = 0.5733 0.0771 0.3238 ( 2602 PWs) bands (ev): 4.2965 4.2965 4.3661 4.3661 4.3737 4.3737 4.4382 4.4382 4.9210 4.9210 4.9607 4.9607 4.9985 4.9985 5.0987 5.0987 5.1564 5.1564 5.2485 5.2485 7.3144 7.3144 7.5980 7.5980 8.2628 8.2628 8.4157 8.4157 8.6431 8.6431 8.8645 8.8645 8.9608 8.9608 9.3101 9.3101 9.5817 9.5817 9.7801 9.7801 10.1194 10.1194 10.3445 10.3445 12.7992 12.7992 14.3881 14.3881 15.7927 15.7927 18.9733 18.9733 19.9726 19.9726 20.5551 20.5551 k = 0.5776 0.0647 0.3308 ( 2598 PWs) bands (ev): 4.2895 4.2895 4.3651 4.3651 4.3683 4.3683 4.4388 4.4388 4.9175 4.9175 4.9603 4.9603 4.9949 4.9949 5.1012 5.1012 5.1596 5.1596 5.2590 5.2590 7.3589 7.3589 7.6292 7.6292 8.2597 8.2597 8.4077 8.4077 8.6315 8.6315 8.8712 8.8712 8.9609 8.9609 9.3176 9.3176 9.5940 9.5940 9.7854 9.7854 10.1239 10.1239 10.3673 10.3673 12.6072 12.6072 14.2700 14.2700 15.7633 15.7633 19.1471 19.1471 20.1502 20.1502 20.4046 20.4046 k = 0.5819 0.0523 0.3379 ( 2603 PWs) bands (ev): 4.2823 4.2823 4.3603 4.3603 4.3669 4.3669 4.4393 4.4393 4.9138 4.9138 4.9605 4.9605 4.9909 4.9909 5.1036 5.1036 5.1628 5.1628 5.2694 5.2694 7.4023 7.4023 7.6594 7.6594 8.2552 8.2552 8.4012 8.4012 8.6205 8.6205 8.8795 8.8795 8.9624 8.9624 9.3268 9.3268 9.6058 9.6058 9.7918 9.7918 10.1270 10.1270 10.3914 10.3914 12.4213 12.4213 14.1555 14.1555 15.7360 15.7360 19.3194 19.3194 20.1846 20.1846 20.4041 20.4041 k = 0.5862 0.0398 0.3449 ( 2598 PWs) bands (ev): 4.2747 4.2747 4.3544 4.3544 4.3676 4.3676 4.4400 4.4400 4.9101 4.9101 4.9613 4.9613 4.9866 4.9866 5.1060 5.1060 5.1663 5.1663 5.2799 5.2799 7.4437 7.4437 7.6885 7.6885 8.2483 8.2483 8.3965 8.3965 8.6102 8.6102 8.8883 8.8883 8.9670 8.9670 9.3379 9.3379 9.6166 9.6166 9.8001 9.8001 10.1291 10.1291 10.4164 10.4164 12.2426 12.2426 14.0450 14.0450 15.7110 15.7110 19.4797 19.4797 20.0618 20.0618 20.5792 20.5792 k = 0.5905 0.0274 0.3519 ( 2603 PWs) bands (ev): 4.2670 4.2670 4.3485 4.3485 4.3687 4.3687 4.4407 4.4407 4.9063 4.9063 4.9625 4.9625 4.9820 4.9820 5.1081 5.1081 5.1698 5.1698 5.2902 5.2902 7.4823 7.4823 7.7168 7.7168 8.2386 8.2386 8.3938 8.3938 8.6008 8.6008 8.8957 8.8957 8.9766 8.9766 9.3510 9.3510 9.6258 9.6258 9.8104 9.8104 10.1302 10.1302 10.4416 10.4416 12.0719 12.0719 13.9385 13.9385 15.6878 15.6878 19.5853 19.5853 19.9835 19.9835 20.7709 20.7709 k = 0.5948 0.0149 0.3590 ( 2601 PWs) bands (ev): 4.2590 4.2590 4.3430 4.3430 4.3702 4.3702 4.4414 4.4414 4.9026 4.9026 4.9642 4.9642 4.9772 4.9772 5.1099 5.1099 5.1736 5.1736 5.3006 5.3006 7.5173 7.5173 7.7441 7.7441 8.2258 8.2258 8.3927 8.3927 8.5926 8.5926 8.9004 8.9004 8.9928 8.9928 9.3664 9.3664 9.6332 9.6332 9.8233 9.8233 10.1306 10.1306 10.4659 10.4659 11.9108 11.9108 13.8364 13.8364 15.6666 15.6666 19.5541 19.5541 20.0455 20.0455 20.9656 20.9656 k = 0.5991 0.0025 0.3660 ( 2601 PWs) bands (ev): 4.2510 4.2510 4.3379 4.3379 4.3720 4.3720 4.4423 4.4423 4.8989 4.8989 4.9660 4.9660 4.9724 4.9724 5.1114 5.1114 5.1776 5.1776 5.3110 5.3110 7.5479 7.5479 7.7705 7.7705 8.2105 8.2105 8.3925 8.3925 8.5857 8.5857 8.9024 8.9024 9.0153 9.0153 9.3841 9.3841 9.6387 9.6387 9.8389 9.8389 10.1308 10.1308 10.4882 10.4882 11.7609 11.7609 13.7388 13.7388 15.6470 15.6470 19.4317 19.4317 20.2037 20.2037 21.1608 21.1608 k = 0.6034-0.0100 0.3731 ( 2598 PWs) bands (ev): 4.2428 4.2428 4.3331 4.3331 4.3740 4.3740 4.4432 4.4432 4.8953 4.8953 4.9647 4.9647 4.9707 4.9707 5.1127 5.1127 5.1820 5.1820 5.3213 5.3213 7.5739 7.5739 7.7952 7.7952 8.1936 8.1936 8.3926 8.3926 8.5804 8.5804 8.9026 8.9026 9.0424 9.0424 9.4042 9.4042 9.6425 9.6425 9.8569 9.8569 10.1312 10.1312 10.5067 10.5067 11.6248 11.6248 13.6461 13.6461 15.6290 15.6290 19.2846 19.2846 20.3920 20.3920 21.3550 21.3550 k = 0.6078-0.0224 0.3801 ( 2592 PWs) bands (ev): 4.2348 4.2348 4.3289 4.3289 4.3761 4.3761 4.4443 4.4443 4.8917 4.8917 4.9596 4.9596 4.9731 4.9731 5.1136 5.1136 5.1866 5.1866 5.3316 5.3316 7.5951 7.5951 7.8169 7.8169 8.1767 8.1767 8.3923 8.3923 8.5767 8.5767 8.9020 8.9020 9.0721 9.0721 9.4262 9.4262 9.6452 9.6452 9.8767 9.8767 10.1329 10.1329 10.5188 10.5188 11.5057 11.5057 13.5584 13.5584 15.6125 15.6125 19.1311 19.1311 20.5922 20.5922 21.5442 21.5442 k = 0.6121-0.0348 0.3871 ( 2598 PWs) bands (ev): 4.2267 4.2267 4.3250 4.3250 4.3781 4.3781 4.4454 4.4454 4.8882 4.8882 4.9536 4.9536 4.9762 4.9762 5.1140 5.1140 5.1915 5.1915 5.3417 5.3417 7.6119 7.6119 7.8330 7.8330 8.1616 8.1616 8.3912 8.3912 8.5748 8.5748 8.9012 8.9012 9.1026 9.1026 9.4495 9.4495 9.6477 9.6477 9.8972 9.8972 10.1374 10.1374 10.5215 10.5215 11.4075 11.4075 13.4761 13.4761 15.5973 15.5973 18.9761 18.9761 20.7987 20.7987 21.5786 21.5786 k = 0.6164-0.0473 0.3942 ( 2602 PWs) bands (ev): 4.2187 4.2187 4.3216 4.3216 4.3799 4.3799 4.4468 4.4468 4.8848 4.8848 4.9473 4.9473 4.9797 4.9797 5.1140 5.1140 5.1969 5.1969 5.3517 5.3517 7.6246 7.6246 7.8407 7.8407 8.1512 8.1512 8.3893 8.3893 8.5744 8.5744 8.9008 8.9008 9.1324 9.1324 9.4721 9.4721 9.6514 9.6514 9.9164 9.9164 10.1473 10.1473 10.5118 10.5118 11.3343 11.3343 13.3994 13.3994 15.5835 15.5835 18.8218 18.8218 21.0082 21.0082 21.5454 21.5454 k = 0.6207-0.0597 0.4012 ( 2604 PWs) bands (ev): 4.2109 4.2109 4.3187 4.3187 4.3816 4.3816 4.4483 4.4483 4.8816 4.8816 4.9409 4.9409 4.9834 4.9834 5.1136 5.1136 5.2026 5.2026 5.3616 5.3616 7.6336 7.6336 7.8369 7.8369 8.1477 8.1477 8.3867 8.3867 8.5756 8.5756 8.9010 8.9010 9.1600 9.1600 9.4913 9.4913 9.6582 9.6582 9.9319 9.9319 10.1658 10.1658 10.4882 10.4882 11.2887 11.2887 13.3286 13.3286 15.5708 15.5708 18.6688 18.6688 21.2141 21.2141 21.5215 21.5215 k = 0.6250-0.0722 0.4082 ( 2600 PWs) bands (ev): 4.2035 4.2035 4.3165 4.3165 4.3830 4.3830 4.4500 4.4500 4.8785 4.8785 4.9346 4.9346 4.9874 4.9874 5.1129 5.1129 5.2086 5.2086 5.3715 5.3715 7.6392 7.6392 7.8207 7.8207 8.1517 8.1517 8.3837 8.3837 8.5781 8.5781 8.9020 8.9020 9.1848 9.1848 9.5037 9.5037 9.6697 9.6697 9.9412 9.9412 10.1963 10.1963 10.4525 10.4525 11.2703 11.2703 13.2640 13.2640 15.5592 15.5592 18.5179 18.5179 21.3741 21.3741 21.5493 21.5493 k = 0.6250-0.0722 0.4082 ( 2600 PWs) bands (ev): 4.2035 4.2035 4.3165 4.3165 4.3830 4.3830 4.4500 4.4500 4.8785 4.8785 4.9346 4.9346 4.9874 4.9874 5.1129 5.1129 5.2086 5.2086 5.3715 5.3715 7.6392 7.6392 7.8207 7.8207 8.1517 8.1517 8.3837 8.3837 8.5781 8.5781 8.9020 8.9020 9.1848 9.1848 9.5037 9.5037 9.6697 9.6697 9.9412 9.9412 10.1963 10.1963 10.4525 10.4525 11.2703 11.2703 13.2640 13.2640 15.5592 15.5592 18.5179 18.5179 21.3741 21.3741 21.5493 21.5493 k = 0.6176-0.0679 0.4203 ( 2604 PWs) bands (ev): 4.2038 4.2038 4.3166 4.3166 4.3828 4.3828 4.4495 4.4495 4.8788 4.8788 4.9349 4.9349 4.9873 4.9873 5.1126 5.1126 5.2085 5.2085 5.3710 5.3710 7.6402 7.6402 7.8220 7.8220 8.1504 8.1504 8.3845 8.3845 8.5777 8.5777 8.9039 8.9039 9.1829 9.1829 9.5033 9.5033 9.6700 9.6700 9.9385 9.9385 10.2012 10.2012 10.4532 10.4532 11.2701 11.2701 13.2444 13.2444 15.5829 15.5829 18.5191 18.5191 21.3412 21.3412 21.5059 21.5059 k = 0.6103-0.0637 0.4323 ( 2605 PWs) bands (ev): 4.2052 4.2052 4.3170 4.3170 4.3822 4.3822 4.4480 4.4480 4.8795 4.8795 4.9358 4.9358 4.9871 4.9871 5.1118 5.1118 5.2084 5.2084 5.3696 5.3696 7.6433 7.6433 7.8260 7.8260 8.1465 8.1465 8.3866 8.3866 8.5766 8.5766 8.9096 8.9096 9.1774 9.1774 9.5021 9.5021 9.6709 9.6709 9.9308 9.9308 10.2150 10.2150 10.4556 10.4556 11.2696 11.2696 13.1878 13.1878 15.6518 15.6518 18.5227 18.5227 21.2512 21.2512 21.4007 21.4007 k = 0.6029-0.0594 0.4443 ( 2607 PWs) bands (ev): 4.2073 4.2073 4.3178 4.3178 4.3812 4.3812 4.4456 4.4456 4.8807 4.8807 4.9374 4.9374 4.9868 4.9868 5.1104 5.1104 5.2083 5.2083 5.3673 5.3673 7.6483 7.6483 7.8324 7.8324 8.1405 8.1405 8.3899 8.3899 8.5748 8.5748 8.9186 8.9186 9.1684 9.1684 9.5002 9.5002 9.6726 9.6726 9.9198 9.9198 10.2360 10.2360 10.4598 10.4598 11.2688 11.2688 13.1004 13.1004 15.7599 15.7599 18.5287 18.5287 21.1234 21.1234 21.2655 21.2655 k = 0.5956-0.0552 0.4563 ( 2607 PWs) bands (ev): 4.2103 4.2103 4.3188 4.3188 4.3799 4.3799 4.4423 4.4423 4.8825 4.8825 4.9396 4.9396 4.9863 4.9863 5.1085 5.1085 5.2084 5.2084 5.3640 5.3640 7.6551 7.6551 7.8410 7.8410 8.1331 8.1331 8.3941 8.3941 8.5726 8.5726 8.9304 8.9304 9.1560 9.1560 9.4978 9.4978 9.6752 9.6752 9.9069 9.9069 10.2618 10.2618 10.4663 10.4663 11.2674 11.2674 12.9898 12.9898 15.8997 15.8997 18.5372 18.5372 20.9746 20.9746 21.1149 21.1149 k = 0.5882-0.0509 0.4683 ( 2607 PWs) bands (ev): 4.2141 4.2141 4.3201 4.3201 4.3783 4.3783 4.4381 4.4381 4.8847 4.8847 4.9424 4.9424 4.9856 4.9856 5.1061 5.1061 5.2085 5.2085 5.3599 5.3599 7.6635 7.6635 7.8516 7.8516 8.1251 8.1251 8.3989 8.3989 8.5703 8.5703 8.9440 8.9440 9.1406 9.1406 9.4952 9.4952 9.6788 9.6788 9.8933 9.8933 10.2905 10.2905 10.4754 10.4754 11.2655 11.2655 12.8632 12.8632 16.0645 16.0645 18.5480 18.5480 20.8149 20.8149 20.9554 20.9554 k = 0.5809-0.0467 0.4803 ( 2602 PWs) bands (ev): 4.2188 4.2188 4.3217 4.3217 4.3765 4.3765 4.4330 4.4330 4.8873 4.8873 4.9459 4.9459 4.9847 4.9847 5.1031 5.1031 5.2092 5.2092 5.3550 5.3550 7.6733 7.6733 7.8633 7.8633 8.1174 8.1174 8.4037 8.4037 8.5681 8.5681 8.9582 8.9582 9.1232 9.1232 9.4927 9.4927 9.6836 9.6836 9.8796 9.8796 10.3203 10.3203 10.4882 10.4882 11.2627 11.2627 12.7265 12.7265 16.2485 16.2485 18.5612 18.5612 20.6498 20.6498 20.7909 20.7909 k = 0.5735-0.0425 0.4923 ( 2602 PWs) bands (ev): 4.2241 4.2241 4.3235 4.3235 4.3743 4.3743 4.4271 4.4271 4.8902 4.8902 4.9500 4.9500 4.9835 4.9835 5.0993 5.0993 5.2102 5.2102 5.3493 5.3493 7.6844 7.6844 7.8755 7.8755 8.1113 8.1113 8.4080 8.4080 8.5667 8.5667 8.9709 8.9709 9.1051 9.1051 9.4905 9.4905 9.6894 9.6894 9.8663 9.8663 10.3494 10.3494 10.5055 10.5055 11.2586 11.2586 12.5849 12.5849 16.4476 16.4476 18.5768 18.5768 20.4821 20.4821 20.6238 20.6238 k = 0.5662-0.0382 0.5043 ( 2600 PWs) bands (ev): 4.2301 4.2301 4.3255 4.3255 4.3720 4.3720 4.4205 4.4205 4.8934 4.8934 4.9548 4.9548 4.9821 4.9821 5.0950 5.0950 5.2119 5.2119 5.3429 5.3429 7.6964 7.6964 7.8869 7.8869 8.1080 8.1080 8.4112 8.4112 8.5669 8.5669 8.9787 8.9787 9.0894 9.0894 9.4890 9.4890 9.6962 9.6962 9.8537 9.8537 10.3767 10.3767 10.5279 10.5279 11.2527 11.2527 12.4422 12.4422 16.6585 16.6585 18.5948 18.5948 20.3135 20.3135 20.4558 20.4558 k = 0.5588-0.0340 0.5163 ( 2607 PWs) bands (ev): 4.2366 4.2366 4.3277 4.3277 4.3695 4.3695 4.4131 4.4131 4.8967 4.8967 4.9600 4.9600 4.9802 4.9802 5.0900 5.0900 5.2142 5.2142 5.3358 5.3358 7.7092 7.7092 7.8962 7.8962 8.1089 8.1089 8.4124 8.4124 8.5695 8.5695 8.9764 8.9764 9.0808 9.0808 9.4882 9.4882 9.7037 9.7037 9.8421 9.8421 10.4017 10.4017 10.5557 10.5557 11.2442 11.2442 12.3023 12.3023 16.8788 16.8788 18.6150 18.6150 20.1451 20.1451 20.2882 20.2882 k = 0.5515-0.0297 0.5283 ( 2609 PWs) bands (ev): 4.2437 4.2437 4.3300 4.3300 4.3669 4.3669 4.4052 4.4052 4.9003 4.9003 4.9657 4.9657 4.9783 4.9783 5.0844 5.0844 5.2174 5.2174 5.3280 5.3280 7.7225 7.7225 7.9024 7.9024 8.1149 8.1149 8.4109 8.4109 8.5753 8.5753 8.9614 8.9614 9.0818 9.0818 9.4883 9.4883 9.7115 9.7115 9.8316 9.8316 10.4250 10.4250 10.5880 10.5880 11.2316 11.2316 12.1688 12.1688 17.1067 17.1067 18.6375 18.6375 19.9777 19.9777 20.1216 20.1216 k = 0.5441-0.0255 0.5403 ( 2605 PWs) bands (ev): 4.2513 4.2513 4.3324 4.3324 4.3643 4.3643 4.3971 4.3971 4.9039 4.9039 4.9711 4.9711 4.9771 4.9771 5.0783 5.0783 5.2216 5.2216 5.3197 5.3197 7.7359 7.7359 7.9050 7.9050 8.1262 8.1262 8.4064 8.4064 8.5852 8.5852 8.9369 8.9369 9.0889 9.0889 9.4893 9.4893 9.7190 9.7190 9.8228 9.8228 10.4477 10.4477 10.6233 10.6233 11.2132 11.2132 12.0456 12.0456 17.3406 17.3406 18.6620 18.6620 19.8120 19.8120 19.9569 19.9569 k = 0.5368-0.0212 0.5523 ( 2607 PWs) bands (ev): 4.2589 4.2589 4.3349 4.3349 4.3617 4.3617 4.3887 4.3887 4.9074 4.9074 4.9717 4.9717 4.9809 4.9809 5.0717 5.0717 5.2266 5.2266 5.3109 5.3109 7.7492 7.7492 7.9045 7.9045 8.1419 8.1419 8.3990 8.3990 8.5992 8.5992 8.9069 8.9069 9.0979 9.0979 9.4912 9.4912 9.7254 9.7254 9.8161 9.8161 10.4709 10.4709 10.6600 10.6600 11.1868 11.1868 11.9373 11.9373 17.5788 17.5788 18.6886 18.6886 19.6490 19.6490 19.7946 19.7946 k = 0.5294-0.0170 0.5643 ( 2606 PWs) bands (ev): 4.2665 4.2665 4.3373 4.3373 4.3593 4.3593 4.3804 4.3804 4.9108 4.9108 4.9695 4.9695 4.9877 4.9877 5.0648 5.0648 5.2325 5.2325 5.3019 5.3019 7.7616 7.7616 7.9020 7.9020 8.1605 8.1605 8.3890 8.3890 8.6174 8.6174 8.8740 8.8740 9.1065 9.1065 9.4937 9.4937 9.7300 9.7300 9.8119 9.8119 10.4955 10.4955 10.6964 10.6964 11.1506 11.1506 11.8480 11.8480 17.8195 17.8195 18.7171 18.7171 19.4899 19.4899 19.6352 19.6352 k = 0.5221-0.0127 0.5764 ( 2602 PWs) bands (ev): 4.2738 4.2738 4.3395 4.3395 4.3571 4.3571 4.3727 4.3727 4.9139 4.9139 4.9672 4.9672 4.9949 4.9949 5.0577 5.0577 5.2393 5.2393 5.2927 5.2927 7.7726 7.7726 7.8988 7.8988 8.1797 8.1797 8.3775 8.3775 8.6396 8.6396 8.8398 8.8398 9.1136 9.1136 9.4965 9.4965 9.7323 9.7323 9.8103 9.8103 10.5217 10.5217 10.7299 10.7299 11.1051 11.1051 11.7810 11.7810 18.0591 18.0591 18.7476 18.7476 19.3369 19.3369 19.4799 19.4799 k = 0.5147-0.0085 0.5884 ( 2600 PWs) bands (ev): 4.2801 4.2801 4.3412 4.3412 4.3553 4.3553 4.3662 4.3662 4.9163 4.9163 4.9651 4.9651 5.0017 5.0017 5.0511 5.0511 5.2468 5.2468 5.2833 5.2833 7.7813 7.7813 7.8960 7.8960 8.1973 8.1973 8.3660 8.3660 8.6650 8.6650 8.8053 8.8053 9.1186 9.1186 9.4991 9.4991 9.7328 9.7328 9.8107 9.8107 10.5488 10.5488 10.7567 10.7567 11.0564 11.0564 11.7366 11.7366 18.2885 18.2885 18.7828 18.7828 19.1941 19.1941 19.3310 19.3310 k = 0.5074-0.0042 0.6004 ( 2608 PWs) bands (ev): 4.2846 4.2846 4.3421 4.3421 4.3540 4.3540 4.3616 4.3616 4.9179 4.9179 4.9636 4.9636 5.0072 5.0072 5.0457 5.0457 5.2547 5.2547 5.2739 5.2739 7.7867 7.7867 7.8945 7.8945 8.2101 8.2101 8.3568 8.3568 8.6921 8.6921 8.7727 8.7727 9.1215 9.1215 9.5010 9.5010 9.7323 9.7323 9.8117 9.8117 10.5732 10.5732 10.7707 10.7707 11.0174 11.0174 11.7126 11.7126 18.4765 18.4765 18.8383 18.8383 19.0682 19.0682 19.1973 19.1973 k = 0.5000-0.0000 0.6124 ( 2608 PWs) bands (ev): 4.2862 4.2862 4.3423 4.3423 4.3536 4.3536 4.3600 4.3600 4.9185 4.9185 4.9631 4.9631 5.0095 5.0095 5.0434 5.0434 5.2612 5.2612 5.2670 5.2670 7.7885 7.7885 7.8942 7.8942 8.2148 8.2148 8.3532 8.3532 8.7097 8.7097 8.7532 8.7532 9.1225 9.1225 9.5018 9.5018 9.7319 9.7319 9.8123 9.8123 10.5851 10.5851 10.7718 10.7718 11.0031 11.0031 11.7054 11.7054 18.5487 18.5487 18.9286 18.9286 18.9745 18.9745 19.1230 19.1230 k = 0.5000-0.0000 0.6124 ( 2608 PWs) bands (ev): 4.2862 4.2862 4.3423 4.3423 4.3536 4.3536 4.3600 4.3600 4.9185 4.9185 4.9631 4.9631 5.0095 5.0095 5.0434 5.0434 5.2612 5.2612 5.2670 5.2670 7.7885 7.7885 7.8942 7.8942 8.2148 8.2148 8.3532 8.3532 8.7097 8.7097 8.7532 8.7532 9.1225 9.1225 9.5018 9.5018 9.7319 9.7319 9.8123 9.8123 10.5851 10.5851 10.7718 10.7718 11.0031 11.0031 11.7054 11.7054 18.5487 18.5487 18.9286 18.9286 18.9745 18.9745 19.1230 19.1230 k = 0.5000 0.0085 0.6004 ( 2606 PWs) bands (ev): 4.2863 4.2863 4.3425 4.3425 4.3533 4.3533 4.3607 4.3607 4.9185 4.9185 4.9630 4.9630 5.0097 5.0097 5.0435 5.0435 5.2610 5.2610 5.2668 5.2668 7.7872 7.7872 7.8925 7.8925 8.2158 8.2158 8.3528 8.3528 8.7083 8.7083 8.7544 8.7544 9.1216 9.1216 9.4990 9.4990 9.7321 9.7321 9.8113 9.8113 10.5751 10.5751 10.7626 10.7626 11.0243 11.0243 11.7177 11.7177 18.5251 18.5251 18.8743 18.8743 19.0011 19.0011 19.1788 19.1788 k = 0.5000 0.0170 0.5884 ( 2602 PWs) bands (ev): 4.2864 4.2864 4.3429 4.3429 4.3529 4.3529 4.3623 4.3623 4.9185 4.9185 4.9626 4.9626 5.0102 5.0102 5.0437 5.0437 5.2604 5.2604 5.2662 5.2662 7.7832 7.7832 7.8876 7.8876 8.2186 8.2186 8.3517 8.3517 8.7046 8.7046 8.7578 8.7578 9.1189 9.1189 9.4907 9.4907 9.7323 9.7323 9.8085 9.8085 10.5489 10.5489 10.7393 10.7393 11.0804 11.0804 11.7538 11.7538 18.4663 18.4663 18.7762 18.7762 19.0669 19.0669 19.2830 19.2830 k = 0.5000 0.0255 0.5764 ( 2604 PWs) bands (ev): 4.2866 4.2866 4.3433 4.3433 4.3527 4.3527 4.3645 4.3645 4.9184 4.9184 4.9620 4.9620 5.0110 5.0110 5.0439 5.0439 5.2593 5.2593 5.2652 5.2652 7.7761 7.7761 7.8797 7.8797 8.2230 8.2230 8.3498 8.3498 8.6994 8.6994 8.7623 8.7623 9.1145 9.1145 9.4778 9.4778 9.7323 9.7323 9.8042 9.8042 10.5143 10.5143 10.7082 10.7082 11.1594 11.1594 11.8107 11.8107 18.3903 18.3903 18.6708 18.6708 19.1545 19.1545 19.3989 19.3989 k = 0.5000 0.0340 0.5643 ( 2606 PWs) bands (ev): 4.2868 4.2868 4.3437 4.3437 4.3531 4.3531 4.3670 4.3670 4.9183 4.9183 4.9613 4.9613 5.0120 5.0120 5.0441 5.0441 5.2579 5.2579 5.2637 5.2637 7.7656 7.7656 7.8695 7.8695 8.2287 8.2287 8.3473 8.3473 8.6934 8.6934 8.7674 8.7674 9.1085 9.1085 9.4613 9.4613 9.7313 9.7313 9.7989 9.7989 10.4773 10.4773 10.6727 10.6727 11.2540 11.2540 11.8853 11.8853 18.3071 18.3071 18.5647 18.5647 19.2538 19.2538 19.5198 19.5198 k = 0.5000 0.0425 0.5523 ( 2606 PWs) bands (ev): 4.2872 4.2872 4.3440 4.3440 4.3543 4.3543 4.3699 4.3699 4.9182 4.9182 4.9605 4.9605 5.0131 5.0131 5.0445 5.0445 5.2560 5.2560 5.2619 5.2619 7.7511 7.7511 7.8576 7.8576 8.2353 8.2353 8.3446 8.3446 8.6871 8.6871 8.7728 8.7728 9.1010 9.1010 9.4423 9.4423 9.7286 9.7286 9.7935 9.7935 10.4414 10.4414 10.6352 10.6352 11.3602 11.3602 11.9744 11.9744 18.2214 18.2214 18.4596 18.4596 19.3603 19.3603 19.6439 19.6439 k = 0.5000 0.0509 0.5403 ( 2606 PWs) bands (ev): 4.2877 4.2877 4.3442 4.3442 4.3562 4.3562 4.3730 4.3730 4.9182 4.9182 4.9597 4.9597 5.0144 5.0144 5.0449 5.0449 5.2536 5.2536 5.2597 5.2597 7.7323 7.7323 7.8444 7.8444 8.2422 8.2422 8.3418 8.3418 8.6809 8.6809 8.7781 8.7781 9.0922 9.0922 9.4222 9.4222 9.7235 9.7235 9.7887 9.7887 10.4078 10.4078 10.5973 10.5973 11.4760 11.4760 12.0756 12.0756 18.1353 18.1353 18.3562 18.3562 19.4717 19.4717 19.7705 19.7705 k = 0.5000 0.0594 0.5283 ( 2610 PWs) bands (ev): 4.2885 4.2885 4.3444 4.3444 4.3586 4.3586 4.3763 4.3763 4.9180 4.9180 4.9588 4.9588 5.0157 5.0157 5.0454 5.0454 5.2509 5.2509 5.2571 5.2571 7.7090 7.7090 7.8302 7.8302 8.2489 8.2489 8.3397 8.3397 8.6751 8.6751 8.7833 8.7833 9.0822 9.0822 9.4020 9.4020 9.7156 9.7156 9.7851 9.7851 10.3770 10.3770 10.5604 10.5604 11.5997 11.5997 12.1867 12.1867 18.0500 18.0500 18.2550 18.2550 19.5869 19.5869 19.8993 19.8993 k = 0.5000 0.0679 0.5163 ( 2612 PWs) bands (ev): 4.2894 4.2894 4.3447 4.3447 4.3615 4.3615 4.3796 4.3796 4.9181 4.9181 4.9580 4.9580 5.0170 5.0170 5.0460 5.0460 5.2478 5.2478 5.2541 5.2541 7.6813 7.6813 7.8148 7.8148 8.2546 8.2546 8.3388 8.3388 8.6698 8.6698 8.7883 8.7883 9.0715 9.0715 9.3828 9.3828 9.7052 9.7052 9.7828 9.7828 10.3488 10.3488 10.5252 10.5252 11.7305 11.7305 12.3065 12.3065 17.9661 17.9661 18.1559 18.1559 19.7053 19.7053 20.0303 20.0303 k = 0.5000 0.0764 0.5043 ( 2612 PWs) bands (ev): 4.2905 4.2905 4.3451 4.3451 4.3648 4.3648 4.3832 4.3832 4.9183 4.9183 4.9573 4.9573 5.0182 5.0182 5.0467 5.0467 5.2443 5.2443 5.2507 5.2507 7.6495 7.6495 7.7981 7.7981 8.2587 8.2587 8.3399 8.3399 8.6653 8.6653 8.7932 8.7932 9.0602 9.0602 9.3651 9.3651 9.6927 9.6927 9.7814 9.7814 10.3230 10.3230 10.4922 10.4922 11.8677 11.8677 12.4337 12.4337 17.8840 17.8840 18.0593 18.0593 19.8263 19.8263 20.1631 20.1631 k = 0.5000 0.0849 0.4923 ( 2612 PWs) bands (ev): 4.2919 4.2919 4.3459 4.3459 4.3684 4.3684 4.3868 4.3868 4.9186 4.9186 4.9568 4.9568 5.0194 5.0194 5.0475 5.0475 5.2404 5.2404 5.2470 5.2470 7.6141 7.6141 7.7796 7.7796 8.2610 8.2610 8.3435 8.3435 8.6617 8.6617 8.7978 8.7978 9.0488 9.0488 9.3494 9.3494 9.6788 9.6788 9.7806 9.7806 10.2992 10.2992 10.4616 10.4616 12.0106 12.0106 12.5674 12.5674 17.8040 17.8040 17.9653 17.9653 19.9497 19.9497 20.2977 20.2977 k = 0.5000 0.0934 0.4803 ( 2612 PWs) bands (ev): 4.2936 4.2936 4.3468 4.3468 4.3722 4.3722 4.3904 4.3904 4.9190 4.9190 4.9565 4.9565 5.0204 5.0204 5.0484 5.0484 5.2362 5.2362 5.2428 5.2428 7.5757 7.5757 7.7592 7.7592 8.2615 8.2615 8.3494 8.3494 8.6592 8.6592 8.8023 8.8023 9.0375 9.0375 9.3361 9.3361 9.6639 9.6639 9.7801 9.7801 10.2770 10.2770 10.4335 10.4335 12.1589 12.1589 12.7072 12.7072 17.7262 17.7262 17.8739 17.8739 20.0749 20.0749 20.4339 20.4339 k = 0.5000 0.1019 0.4683 ( 2612 PWs) bands (ev): 4.2956 4.2956 4.3481 4.3481 4.3762 4.3762 4.3941 4.3941 4.9196 4.9196 4.9564 4.9564 5.0212 5.0212 5.0494 5.0494 5.2316 5.2316 5.2383 5.2383 7.5346 7.5346 7.7365 7.7365 8.2609 8.2609 8.3575 8.3575 8.6579 8.6579 8.8068 8.8068 9.0267 9.0267 9.3250 9.3250 9.6486 9.6486 9.7796 9.7796 10.2560 10.2560 10.4078 10.4078 12.3122 12.3122 12.8523 12.8523 17.6509 17.6509 17.7853 17.7853 20.2016 20.2016 20.5714 20.5714 k = 0.5000 0.1104 0.4563 ( 2604 PWs) bands (ev): 4.2979 4.2979 4.3497 4.3497 4.3803 4.3803 4.3978 4.3978 4.9205 4.9205 4.9567 4.9567 5.0220 5.0220 5.0505 5.0505 5.2267 5.2267 5.2335 5.2335 7.4915 7.4915 7.7117 7.7117 8.2599 8.2599 8.3670 8.3670 8.6578 8.6578 8.8112 8.8112 9.0166 9.0166 9.3161 9.3161 9.6331 9.6331 9.7791 9.7791 10.2361 10.2361 10.3845 10.3845 12.4700 12.4700 13.0024 13.0024 17.5781 17.5781 17.6996 17.6996 20.3287 20.3287 20.7097 20.7097 k = 0.5000 0.1189 0.4443 ( 2606 PWs) bands (ev): 4.3004 4.3004 4.3514 4.3514 4.3844 4.3844 4.4014 4.4014 4.9215 4.9215 4.9571 4.9571 5.0226 5.0226 5.0517 5.0517 5.2213 5.2213 5.2282 5.2282 7.4469 7.4469 7.6847 7.6847 8.2590 8.2590 8.3774 8.3774 8.6590 8.6590 8.8156 8.8156 9.0073 9.0073 9.3091 9.3091 9.6178 9.6178 9.7784 9.7784 10.2169 10.2169 10.3633 10.3633 12.6323 12.6323 13.1572 13.1572 17.5079 17.5079 17.6170 17.6170 20.4542 20.4542 20.8471 20.8471 k = 0.5000 0.1274 0.4323 ( 2608 PWs) bands (ev): 4.3031 4.3031 4.3535 4.3535 4.3886 4.3886 4.4049 4.4049 4.9228 4.9228 4.9578 4.9578 5.0231 5.0231 5.0530 5.0530 5.2156 5.2156 5.2226 5.2226 7.4012 7.4012 7.6558 7.6558 8.2585 8.2585 8.3883 8.3883 8.6615 8.6615 8.8201 8.8201 8.9990 8.9990 9.3039 9.3039 9.6027 9.6027 9.7774 9.7774 10.1983 10.1983 10.3441 10.3441 12.7985 12.7985 13.3162 13.3162 17.4404 17.4404 17.5374 17.5374 20.5733 20.5733 20.9765 20.9765 k = 0.5000 0.1358 0.4203 ( 2608 PWs) bands (ev): 4.3061 4.3061 4.3558 4.3558 4.3927 4.3927 4.4083 4.4083 4.9243 4.9243 4.9588 4.9588 5.0234 5.0234 5.0544 5.0544 5.2096 5.2096 5.2167 5.2167 7.3549 7.3549 7.6253 7.6253 8.2588 8.2588 8.3995 8.3995 8.6654 8.6654 8.8247 8.8247 8.9916 8.9916 9.3001 9.3001 9.5883 9.5883 9.7761 9.7761 10.1802 10.1802 10.3267 10.3267 12.9687 12.9687 13.4793 13.4793 17.3756 17.3756 17.4612 17.4612 20.6677 20.6677 21.0262 21.0262 k = 0.5000 0.1443 0.4082 ( 2600 PWs) bands (ev): 4.3094 4.3094 4.3584 4.3584 4.3969 4.3969 4.4117 4.4117 4.9262 4.9262 4.9602 4.9602 5.0238 5.0238 5.0559 5.0559 5.2033 5.2033 5.2106 5.2106 7.3085 7.3085 7.5936 7.5936 8.2600 8.2600 8.4108 8.4108 8.6705 8.6705 8.8294 8.8294 8.9853 8.9853 9.2973 9.2973 9.5746 9.5746 9.7744 9.7744 10.1627 10.1627 10.3111 10.3111 13.1425 13.1425 13.6463 13.6463 17.3136 17.3136 17.3885 17.3885 20.6644 20.6644 20.8814 20.8814 k = 0.5000 0.1528 0.3962 ( 2604 PWs) bands (ev): 4.3129 4.3129 4.3612 4.3612 4.4007 4.4007 4.4147 4.4147 4.9281 4.9281 4.9618 4.9618 5.0241 5.0241 5.0575 5.0575 5.1966 5.1966 5.2041 5.2041 7.2623 7.2623 7.5610 7.5610 8.2619 8.2619 8.4218 8.4218 8.6769 8.6769 8.8341 8.8341 8.9798 8.9798 9.2951 9.2951 9.5619 9.5619 9.7723 9.7723 10.1456 10.1456 10.2969 10.2969 13.3199 13.3199 13.8170 13.8170 17.2544 17.2544 17.3194 17.3194 20.4983 20.4983 20.6946 20.6946 k = 0.5000 0.1613 0.3842 ( 2608 PWs) bands (ev): 4.3166 4.3166 4.3642 4.3642 4.4045 4.4045 4.4175 4.4175 4.9302 4.9302 4.9637 4.9637 5.0245 5.0245 5.0590 5.0590 5.1897 5.1897 5.1973 5.1973 7.2169 7.2169 7.5281 7.5281 8.2646 8.2646 8.4324 8.4324 8.6845 8.6845 8.8390 8.8390 8.9751 8.9751 9.2933 9.2933 9.5504 9.5504 9.7698 9.7698 10.1290 10.1290 10.2840 10.2840 13.5005 13.5005 13.9911 13.9911 17.1978 17.1978 17.2542 17.2542 20.2725 20.2725 20.4718 20.4718 k = 0.5000 0.1698 0.3722 ( 2604 PWs) bands (ev): 4.3205 4.3205 4.3674 4.3674 4.4081 4.4081 4.4201 4.4201 4.9326 4.9326 4.9660 4.9660 5.0250 5.0250 5.0606 5.0606 5.1826 5.1826 5.1905 5.1905 7.1727 7.1727 7.4952 7.4952 8.2680 8.2680 8.4427 8.4427 8.6932 8.6932 8.8439 8.8439 8.9713 8.9713 9.2915 9.2915 9.5402 9.5402 9.7668 9.7668 10.1130 10.1130 10.2725 10.2725 13.6843 13.6843 14.1685 14.1685 17.1438 17.1438 17.1934 17.1934 20.0342 20.0342 20.2370 20.2370 k = 0.5000 0.1783 0.3602 ( 2606 PWs) bands (ev): 4.3245 4.3245 4.3708 4.3708 4.4114 4.4114 4.4223 4.4223 4.9351 4.9351 4.9686 4.9686 5.0257 5.0257 5.0622 5.0622 5.1752 5.1752 5.1834 5.1834 7.1298 7.1298 7.4628 7.4628 8.2719 8.2719 8.4523 8.4523 8.7029 8.7029 8.8488 8.8488 8.9681 8.9681 9.2894 9.2894 9.5317 9.5317 9.7633 9.7633 10.0976 10.0976 10.2620 10.2620 13.8709 13.8709 14.3491 14.3491 17.0920 17.0920 17.1372 17.1372 19.7927 19.7927 19.9991 19.9991 k = 0.5000 0.1868 0.3482 ( 2602 PWs) bands (ev): 4.3287 4.3287 4.3744 4.3744 4.4145 4.4145 4.4243 4.4243 4.9377 4.9377 4.9716 4.9716 5.0266 5.0266 5.0637 5.0637 5.1676 5.1676 5.1763 5.1763 7.0888 7.0888 7.4312 7.4312 8.2762 8.2762 8.4614 8.4614 8.7135 8.7135 8.8536 8.8536 8.9655 8.9655 9.2866 9.2866 9.5250 9.5250 9.7593 9.7593 10.0828 10.0828 10.2527 10.2527 14.0604 14.0604 14.5326 14.5326 17.0422 17.0422 17.0863 17.0863 19.5509 19.5509 19.7606 19.7606 k = 0.5000 0.1953 0.3362 ( 2602 PWs) bands (ev): 4.3329 4.3329 4.3781 4.3781 4.4173 4.4173 4.4259 4.4259 4.9404 4.9404 4.9750 4.9750 5.0278 5.0278 5.0651 5.0651 5.1599 5.1599 5.1692 5.1692 7.0499 7.0499 7.4009 7.4009 8.2807 8.2807 8.4698 8.4698 8.7248 8.7248 8.8582 8.8582 8.9634 8.9634 9.2830 9.2830 9.5201 9.5201 9.7549 9.7549 10.0689 10.0689 10.2443 10.2443 14.2524 14.2524 14.7190 14.7190 16.9943 16.9943 17.0406 17.0406 19.3100 19.3100 19.5229 19.5229 k = 0.5000 0.2038 0.3242 ( 2596 PWs) bands (ev): 4.3371 4.3371 4.3820 4.3820 4.4198 4.4198 4.4273 4.4273 4.9431 4.9431 4.9787 4.9787 5.0294 5.0294 5.0663 5.0663 5.1520 5.1520 5.1622 5.1622 7.0134 7.0134 7.3721 7.3721 8.2854 8.2854 8.4775 8.4775 8.7367 8.7367 8.8626 8.8626 8.9618 8.9618 9.2786 9.2786 9.5171 9.5171 9.7500 9.7500 10.0558 10.0558 10.2368 10.2368 14.4467 14.4467 14.9079 14.9079 16.9487 16.9487 17.0003 17.0003 19.0708 19.0708 19.2864 19.2864 k = 0.5000 0.2123 0.3122 ( 2596 PWs) bands (ev): 4.3413 4.3413 4.3858 4.3858 4.4218 4.4218 4.4282 4.4282 4.9457 4.9457 4.9826 4.9826 5.0314 5.0314 5.0673 5.0673 5.1439 5.1439 5.1553 5.1553 6.9795 6.9795 7.3452 7.3452 8.2901 8.2901 8.4845 8.4845 8.7490 8.7490 8.8667 8.8667 8.9604 8.9604 9.2733 9.2733 9.5159 9.5159 9.7448 9.7448 10.0436 10.0436 10.2301 10.2301 14.6429 14.6429 15.0992 15.0992 16.9057 16.9057 16.9650 16.9650 18.8339 18.8339 19.0515 19.0515 k = 0.5000 0.2208 0.3002 ( 2592 PWs) bands (ev): 4.3454 4.3454 4.3898 4.3898 4.4235 4.4235 4.4288 4.4288 4.9481 4.9481 4.9870 4.9870 5.0339 5.0339 5.0680 5.0680 5.1359 5.1359 5.1487 5.1487 6.9486 6.9486 7.3205 7.3205 8.2946 8.2946 8.4907 8.4907 8.7614 8.7614 8.8702 8.8702 8.9593 8.9593 9.2674 9.2674 9.5163 9.5163 9.7393 9.7393 10.0325 10.0325 10.2243 10.2243 14.8408 14.8408 15.2926 15.2926 16.8655 16.8655 16.9347 16.9347 18.6000 18.6000 18.8185 18.8185 k = 0.5000 0.2292 0.2882 ( 2594 PWs) bands (ev): 4.3492 4.3492 4.3936 4.3936 4.4247 4.4247 4.4291 4.4291 4.9503 4.9503 4.9915 4.9915 5.0368 5.0368 5.0682 5.0682 5.1277 5.1277 5.1425 5.1425 6.9208 6.9208 7.2981 7.2981 8.2989 8.2989 8.4960 8.4960 8.7738 8.7738 8.8732 8.8732 8.9585 8.9585 9.2611 9.2611 9.5180 9.5180 9.7336 9.7336 10.0225 10.0225 10.2192 10.2192 15.0397 15.0397 15.4876 15.4876 16.8283 16.8283 16.9095 16.9095 18.3699 18.3699 18.5876 18.5876 k = 0.5000 0.2377 0.2762 ( 2596 PWs) bands (ev): 4.3528 4.3528 4.3974 4.3974 4.4254 4.4254 4.4292 4.4292 4.9522 4.9522 4.9963 4.9963 5.0402 5.0402 5.0679 5.0679 5.1196 5.1196 5.1368 5.1368 6.8962 6.8962 7.2782 7.2782 8.3029 8.3029 8.5007 8.5007 8.7860 8.7860 8.8754 8.8754 8.9577 8.9577 9.2546 9.2546 9.5206 9.5206 9.7279 9.7279 10.0137 10.0137 10.2149 10.2149 15.2389 15.2389 15.6832 15.6832 16.7941 16.7941 16.8896 16.8896 18.1449 18.1449 18.3593 18.3593 k = 0.5000 0.2462 0.2642 ( 2594 PWs) bands (ev): 4.3561 4.3561 4.4012 4.4012 4.4255 4.4255 4.4292 4.4292 4.9538 4.9538 5.0013 5.0013 5.0440 5.0440 5.0672 5.0672 5.1117 5.1117 5.1319 5.1319 6.8752 6.8752 7.2611 7.2611 8.3064 8.3064 8.5046 8.5046 8.7975 8.7975 8.8768 8.8768 8.9571 8.9571 9.2483 9.2483 9.5239 9.5239 9.7224 9.7224 10.0061 10.0061 10.2113 10.2113 15.4372 15.4372 15.8781 15.8781 16.7631 16.7631 16.8754 16.8754 17.9268 17.9268 18.1338 18.1338 k = 0.5000 0.2547 0.2522 ( 2600 PWs) bands (ev): 4.3589 4.3589 4.4047 4.4047 4.4249 4.4249 4.4293 4.4293 4.9551 4.9551 5.0061 5.0061 5.0480 5.0480 5.0662 5.0662 5.1037 5.1037 5.1277 5.1277 6.8577 6.8577 7.2469 7.2469 8.3094 8.3094 8.5077 8.5077 8.8082 8.8082 8.8775 8.8775 8.9566 8.9566 9.2426 9.2426 9.5273 9.5273 9.7173 9.7173 9.9999 9.9999 10.2084 10.2084 15.6327 15.6327 16.0685 16.0685 16.7364 16.7364 16.8679 16.8679 17.7187 17.7187 17.9119 17.9119 k = 0.5000 0.2632 0.2401 ( 2604 PWs) bands (ev): 4.3611 4.3611 4.4081 4.4081 4.4238 4.4238 4.4294 4.4294 4.9560 4.9560 5.0107 5.0107 5.0518 5.0518 5.0655 5.0655 5.0961 5.0961 5.1245 5.1245 6.8440 6.8440 7.2358 7.2358 8.3118 8.3118 8.5102 8.5102 8.8175 8.8175 8.8773 8.8773 8.9561 8.9561 9.2378 9.2378 9.5305 9.5305 9.7130 9.7130 9.9950 9.9950 10.2061 10.2061 15.8218 15.8218 16.2445 16.2445 16.7192 16.7192 16.8683 16.8683 17.5261 17.5261 17.6950 17.6950 k = 0.5000 0.2717 0.2281 ( 2606 PWs) bands (ev): 4.3628 4.3628 4.4112 4.4112 4.4222 4.4222 4.4294 4.4294 4.9567 4.9567 5.0147 5.0147 5.0542 5.0542 5.0663 5.0663 5.0888 5.0888 5.1223 5.1223 6.8342 6.8342 7.2277 7.2277 8.3136 8.3136 8.5119 8.5119 8.8250 8.8250 8.8767 8.8767 8.9558 8.9558 9.2341 9.2341 9.5331 9.5331 9.7096 9.7096 9.9914 9.9914 10.2045 10.2045 15.9982 15.9982 16.3756 16.3756 16.7332 16.7332 16.8787 16.8787 17.3593 17.3593 17.4862 17.4862 k = 0.5000 0.2802 0.2161 ( 2608 PWs) bands (ev): 4.3639 4.3639 4.4138 4.4138 4.4205 4.4205 4.4295 4.4295 4.9571 4.9571 5.0174 5.0174 5.0548 5.0548 5.0699 5.0699 5.0819 5.0819 5.1210 5.1210 6.8283 6.8283 7.2229 7.2229 8.3146 8.3146 8.5129 8.5129 8.8300 8.8300 8.8759 8.8759 8.9556 8.9556 9.2318 9.2318 9.5348 9.5348 9.7074 9.7074 9.9893 9.9893 10.2036 10.2036 16.1471 16.1471 16.4131 16.4131 16.8062 16.8062 16.9048 16.9048 17.2369 17.2369 17.2969 17.2969 k = 0.5000 0.2887 0.2041 ( 2608 PWs) bands (ev): 4.3643 4.3643 4.4152 4.4152 4.4194 4.4194 4.4295 4.4295 4.9572 4.9572 5.0184 5.0184 5.0547 5.0547 5.0747 5.0747 5.0762 5.0762 5.1206 5.1206 6.8263 6.8263 7.2213 7.2213 8.3150 8.3150 8.5133 8.5133 8.8318 8.8318 8.8756 8.8756 8.9555 8.9555 9.2310 9.2310 9.5354 9.5354 9.7067 9.7067 9.9886 9.9886 10.2033 10.2033 16.2202 16.2202 16.3970 16.3970 16.8533 16.8533 16.9450 16.9450 17.1879 17.1879 17.1928 17.1928 k = 0.5000 0.2887 0.2041 ( 2608 PWs) bands (ev): 4.3643 4.3643 4.4152 4.4152 4.4194 4.4194 4.4295 4.4295 4.9572 4.9572 5.0184 5.0184 5.0547 5.0547 5.0747 5.0747 5.0762 5.0762 5.1206 5.1206 6.8263 6.8263 7.2213 7.2213 8.3150 8.3150 8.5133 8.5133 8.8318 8.8318 8.8756 8.8756 8.9555 8.9555 9.2310 9.2310 9.5354 9.5354 9.7067 9.7067 9.9886 9.9886 10.2033 10.2033 16.2202 16.2202 16.3970 16.3970 16.8533 16.8533 16.9450 16.9450 17.1879 17.1879 17.1928 17.1928 k = 0.4957 0.2862 0.2182 ( 2608 PWs) bands (ev): 4.3639 4.3639 4.4138 4.4138 4.4205 4.4205 4.4295 4.4295 4.9571 4.9571 5.0173 5.0173 5.0548 5.0548 5.0699 5.0699 5.0820 5.0820 5.1210 5.1210 6.8283 6.8283 7.2229 7.2229 8.3146 8.3146 8.5129 8.5129 8.8300 8.8300 8.8759 8.8759 8.9556 8.9556 9.2318 9.2318 9.5348 9.5348 9.7075 9.7075 9.9893 9.9893 10.2036 10.2036 16.1451 16.1451 16.4137 16.4137 16.8022 16.8022 16.9072 16.9072 17.2365 17.2365 17.3006 17.3006 k = 0.4914 0.2837 0.2323 ( 2607 PWs) bands (ev): 4.3628 4.3628 4.4111 4.4111 4.4222 4.4222 4.4294 4.4294 4.9566 4.9566 5.0145 5.0145 5.0541 5.0541 5.0663 5.0663 5.0890 5.0890 5.1224 5.1224 6.8344 6.8344 7.2279 7.2279 8.3135 8.3135 8.5118 8.5118 8.8248 8.8248 8.8767 8.8767 8.9558 8.9558 9.2342 9.2342 9.5330 9.5330 9.7097 9.7097 9.9915 9.9915 10.2046 10.2046 15.9912 15.9912 16.3867 16.3867 16.6884 16.6884 16.9186 16.9186 17.3468 17.3468 17.5008 17.5008 k = 0.4871 0.2812 0.2464 ( 2602 PWs) bands (ev): 4.3610 4.3610 4.4080 4.4080 4.4238 4.4238 4.4294 4.4294 4.9560 4.9560 5.0106 5.0106 5.0514 5.0514 5.0658 5.0658 5.0963 5.0963 5.1248 5.1248 6.8446 6.8446 7.2362 7.2362 8.3117 8.3117 8.5101 8.5101 8.8171 8.8171 8.8774 8.8774 8.9562 8.9562 9.2380 9.2380 9.5304 9.5304 9.7131 9.7131 9.9952 9.9952 10.2062 10.2062 15.8049 15.8049 16.2924 16.2924 16.5807 16.5807 16.9872 16.9872 17.4854 17.4854 17.7268 17.7268 k = 0.4828 0.2787 0.2604 ( 2601 PWs) bands (ev): 4.3587 4.3587 4.4045 4.4045 4.4248 4.4248 4.4294 4.4294 4.9550 4.9550 5.0059 5.0059 5.0470 5.0470 5.0673 5.0673 5.1035 5.1035 5.1282 5.1282 6.8587 6.8587 7.2477 7.2477 8.3092 8.3092 8.5075 8.5075 8.8075 8.8075 8.8774 8.8774 8.9566 8.9566 9.2429 9.2429 9.5271 9.5271 9.7176 9.7176 10.0002 10.0002 10.2086 10.2086 15.6006 15.6006 16.1637 16.1637 16.4869 16.4869 17.0853 17.0853 17.6381 17.6381 17.9659 17.9659 k = 0.4784 0.2762 0.2745 ( 2599 PWs) bands (ev): 4.3558 4.3558 4.4009 4.4009 4.4249 4.4249 4.4298 4.4298 4.9536 4.9536 5.0010 5.0010 5.0423 5.0423 5.0695 5.0695 5.1102 5.1102 5.1332 5.1332 6.8766 6.8766 7.2623 7.2623 8.3062 8.3062 8.5043 8.5043 8.7966 8.7966 8.8768 8.8768 8.9571 8.9571 9.2488 9.2488 9.5236 9.5236 9.7228 9.7228 10.0066 10.0066 10.2116 10.2116 15.3859 15.3859 16.0226 16.0226 16.4031 16.4031 17.1973 17.1973 17.7992 17.7992 18.2133 18.2133 k = 0.4741 0.2737 0.2886 ( 2596 PWs) bands (ev): 4.3525 4.3525 4.3972 4.3972 4.4240 4.4240 4.4306 4.4306 4.9520 4.9520 4.9961 4.9961 5.0375 5.0375 5.0719 5.0719 5.1162 5.1162 5.1396 5.1396 6.8983 6.8983 7.2799 7.2799 8.3026 8.3026 8.5003 8.5003 8.7847 8.7847 8.8753 8.8753 8.9577 8.9577 9.2551 9.2551 9.5205 9.5205 9.7284 9.7284 10.0143 10.0143 10.2154 10.2154 15.1652 15.1652 15.8777 15.8777 16.3269 16.3269 17.3175 17.3175 17.9659 17.9659 18.4665 18.4665 k = 0.4698 0.2713 0.3027 ( 2600 PWs) bands (ev): 4.3487 4.3487 4.3933 4.3933 4.4222 4.4222 4.4314 4.4314 4.9500 4.9500 4.9913 4.9913 5.0330 5.0330 5.0743 5.0743 5.1212 5.1212 5.1473 5.1473 6.9236 6.9236 7.3003 7.3003 8.2986 8.2986 8.4955 8.4955 8.7722 8.7722 8.8731 8.8731 8.9584 8.9584 9.2616 9.2616 9.5180 9.5180 9.7341 9.7341 10.0232 10.0232 10.2200 10.2200 14.9417 14.9417 15.7322 15.7322 16.2571 16.2571 17.4438 17.4438 18.1369 18.1369 18.7240 18.7240 k = 0.4655 0.2688 0.3167 ( 2602 PWs) bands (ev): 4.3447 4.3447 4.3894 4.3894 4.4196 4.4196 4.4323 4.4323 4.9478 4.9478 4.9867 4.9867 5.0287 5.0287 5.0767 5.0767 5.1256 5.1256 5.1561 5.1561 6.9521 6.9521 7.3233 7.3233 8.2943 8.2943 8.4900 8.4900 8.7592 8.7592 8.8704 8.8704 8.9591 8.9591 9.2680 9.2680 9.5167 9.5167 9.7398 9.7398 10.0330 10.0330 10.2255 10.2255 14.7173 14.7173 15.5875 15.5875 16.1928 16.1928 17.5755 17.5755 18.3113 18.3113 18.9847 18.9847 k = 0.4612 0.2663 0.3308 ( 2601 PWs) bands (ev): 4.3404 4.3404 4.3856 4.3856 4.4165 4.4165 4.4331 4.4331 4.9453 4.9453 4.9824 4.9824 5.0247 5.0247 5.0791 5.0791 5.1296 5.1296 5.1656 5.1656 6.9839 6.9839 7.3487 7.3487 8.2898 8.2898 8.4838 8.4838 8.7460 8.7460 8.8673 8.8673 8.9599 8.9599 9.2740 9.2740 9.5170 9.5170 9.7453 9.7453 10.0437 10.0437 10.2320 10.2320 14.4933 14.4933 15.4444 15.4444 16.1334 16.1334 17.7123 17.7123 18.4885 18.4885 19.2479 19.2479 k = 0.4569 0.2638 0.3449 ( 2601 PWs) bands (ev): 4.3359 4.3359 4.3820 4.3820 4.4126 4.4126 4.4339 4.4339 4.9427 4.9427 4.9784 4.9784 5.0210 5.0210 5.0814 5.0814 5.1333 5.1333 5.1756 5.1756 7.0185 7.0185 7.3762 7.3762 8.2853 8.2853 8.4768 8.4768 8.7327 8.7327 8.8641 8.8641 8.9606 8.9606 9.2793 9.2793 9.5190 9.5190 9.7505 9.7505 10.0549 10.0549 10.2398 10.2398 14.2708 14.2708 15.3032 15.3032 16.0784 16.0784 17.8539 17.8539 18.6682 18.6682 19.5128 19.5128 k = 0.4526 0.2613 0.3590 ( 2599 PWs) bands (ev): 4.3312 4.3312 4.3785 4.3785 4.4083 4.4083 4.4346 4.4346 4.9399 4.9399 4.9746 4.9746 5.0176 5.0176 5.0838 5.0838 5.1368 5.1368 5.1858 5.1858 7.0558 7.0558 7.4055 7.4055 8.2810 8.2810 8.4692 8.4692 8.7194 8.7194 8.8610 8.8610 8.9613 8.9613 9.2839 9.2839 9.5231 9.5231 9.7553 9.7553 10.0663 10.0663 10.2490 10.2490 14.0503 14.0503 15.1643 15.1643 16.0276 16.0276 18.0004 18.0004 18.8501 18.8501 19.7788 19.7788 k = 0.4483 0.2588 0.3731 ( 2599 PWs) bands (ev): 4.3261 4.3261 4.3753 4.3753 4.4034 4.4034 4.4353 4.4353 4.9371 4.9371 4.9712 4.9712 5.0144 5.0144 5.0862 5.0862 5.1403 5.1403 5.1961 5.1961 7.0954 7.0954 7.4363 7.4363 8.2769 8.2769 8.4610 8.4610 8.7062 8.7062 8.8585 8.8585 8.9618 8.9618 9.2879 9.2879 9.5291 9.5291 9.7597 9.7597 10.0775 10.0775 10.2598 10.2598 13.8324 13.8324 15.0278 15.0278 15.9805 15.9805 18.1517 18.1517 19.0339 19.0339 20.0449 20.0449 k = 0.4440 0.2563 0.3871 ( 2603 PWs) bands (ev): 4.3208 4.3208 4.3725 4.3725 4.3979 4.3979 4.4359 4.4359 4.9340 4.9340 4.9680 4.9680 5.0113 5.0113 5.0886 5.0886 5.1436 5.1436 5.2065 5.2065 7.1369 7.1369 7.4682 7.4682 8.2733 8.2733 8.4523 8.4523 8.6931 8.6931 8.8567 8.8567 8.9620 8.9620 9.2916 9.2916 9.5371 9.5371 9.7639 9.7639 10.0881 10.0881 10.2725 10.2725 13.6177 13.6177 14.8939 14.8939 15.9369 15.9369 18.3076 18.3076 19.2195 19.2195 20.3098 20.3098 k = 0.4397 0.2538 0.4012 ( 2599 PWs) bands (ev): 4.3153 4.3153 4.3701 4.3701 4.3922 4.3922 4.4365 4.4365 4.9310 4.9310 4.9654 4.9654 5.0083 5.0083 5.0911 5.0911 5.1469 5.1469 5.2171 5.2171 7.1801 7.1801 7.5007 7.5007 8.2702 8.2702 8.4432 8.4432 8.6802 8.6802 8.8561 8.8561 8.9621 8.9621 9.2953 9.2953 9.5467 9.5467 9.7678 9.7678 10.0979 10.0979 10.2873 10.2873 13.4065 13.4065 14.7628 14.7628 15.8965 15.8965 18.4681 18.4681 19.4067 19.4067 20.5690 20.5690 k = 0.4353 0.2513 0.4153 ( 2603 PWs) bands (ev): 4.3093 4.3093 4.3682 4.3682 4.3862 4.3862 4.4370 4.4370 4.9278 4.9278 4.9632 4.9632 5.0052 5.0052 5.0936 5.0936 5.1500 5.1500 5.2275 5.2275 7.2243 7.2243 7.5334 7.5334 8.2675 8.2675 8.4338 8.4338 8.6675 8.6675 8.8570 8.8570 8.9617 8.9617 9.2993 9.2993 9.5576 9.5576 9.7717 9.7717 10.1064 10.1064 10.3043 10.3043 13.1994 13.1994 14.6347 14.6347 15.8592 15.8592 18.6328 18.6328 19.5951 19.5951 20.7804 20.7804 k = 0.4310 0.2489 0.4294 ( 2601 PWs) bands (ev): 4.3031 4.3031 4.3669 4.3669 4.3800 4.3800 4.4376 4.4376 4.9245 4.9245 4.9617 4.9617 5.0020 5.0020 5.0962 5.0962 5.1532 5.1532 5.2380 5.2380 7.2693 7.2693 7.5660 7.5660 8.2652 8.2652 8.4246 8.4246 8.6552 8.6552 8.8597 8.8597 8.9612 8.9612 9.3041 9.3041 9.5694 9.5694 9.7757 9.7757 10.1136 10.1136 10.3234 10.3234 12.9968 12.9968 14.5098 14.5098 15.8247 15.8247 18.8014 18.8014 19.7843 19.7843 20.7136 20.7136 k = 0.4267 0.2464 0.4434 ( 2602 PWs) bands (ev): 4.2965 4.2965 4.3661 4.3661 4.3737 4.3737 4.4382 4.4382 4.9210 4.9210 4.9607 4.9607 4.9985 4.9985 5.0987 5.0987 5.1564 5.1564 5.2485 5.2485 7.3144 7.3144 7.5980 7.5980 8.2628 8.2628 8.4157 8.4157 8.6431 8.6431 8.8645 8.8645 8.9608 8.9608 9.3101 9.3101 9.5817 9.5817 9.7801 9.7801 10.1194 10.1194 10.3445 10.3445 12.7992 12.7992 14.3881 14.3881 15.7927 15.7927 18.9733 18.9733 19.9726 19.9726 20.5551 20.5551 k = 0.4224 0.2439 0.4575 ( 2598 PWs) bands (ev): 4.2895 4.2895 4.3651 4.3651 4.3683 4.3683 4.4388 4.4388 4.9175 4.9175 4.9603 4.9603 4.9949 4.9949 5.1012 5.1012 5.1596 5.1596 5.2590 5.2590 7.3589 7.3589 7.6292 7.6292 8.2597 8.2597 8.4077 8.4077 8.6315 8.6315 8.8712 8.8712 8.9609 8.9609 9.3176 9.3176 9.5940 9.5940 9.7854 9.7854 10.1239 10.1239 10.3673 10.3673 12.6072 12.6072 14.2700 14.2700 15.7633 15.7633 19.1471 19.1471 20.1502 20.1502 20.4046 20.4046 k = 0.4181 0.2414 0.4716 ( 2603 PWs) bands (ev): 4.2823 4.2823 4.3603 4.3603 4.3669 4.3669 4.4393 4.4393 4.9138 4.9138 4.9605 4.9605 4.9909 4.9909 5.1036 5.1036 5.1628 5.1628 5.2694 5.2694 7.4023 7.4023 7.6594 7.6594 8.2552 8.2552 8.4012 8.4012 8.6205 8.6205 8.8795 8.8795 8.9624 8.9624 9.3268 9.3268 9.6058 9.6058 9.7918 9.7918 10.1270 10.1270 10.3914 10.3914 12.4213 12.4213 14.1555 14.1555 15.7360 15.7360 19.3194 19.3194 20.1846 20.1846 20.4041 20.4041 k = 0.4138 0.2389 0.4857 ( 2598 PWs) bands (ev): 4.2747 4.2747 4.3544 4.3544 4.3676 4.3676 4.4400 4.4400 4.9101 4.9101 4.9613 4.9613 4.9866 4.9866 5.1060 5.1060 5.1663 5.1663 5.2799 5.2799 7.4437 7.4437 7.6885 7.6885 8.2483 8.2483 8.3965 8.3965 8.6102 8.6102 8.8883 8.8883 8.9670 8.9670 9.3379 9.3379 9.6166 9.6166 9.8001 9.8001 10.1291 10.1291 10.4164 10.4164 12.2426 12.2426 14.0450 14.0450 15.7110 15.7110 19.4797 19.4797 20.0618 20.0618 20.5792 20.5792 k = 0.4095 0.2364 0.4998 ( 2603 PWs) bands (ev): 4.2670 4.2670 4.3485 4.3485 4.3687 4.3687 4.4407 4.4407 4.9063 4.9063 4.9625 4.9625 4.9820 4.9820 5.1081 5.1081 5.1698 5.1698 5.2902 5.2902 7.4823 7.4823 7.7168 7.7168 8.2386 8.2386 8.3938 8.3938 8.6008 8.6008 8.8957 8.8957 8.9766 8.9766 9.3510 9.3510 9.6258 9.6258 9.8104 9.8104 10.1302 10.1302 10.4416 10.4416 12.0719 12.0719 13.9385 13.9385 15.6878 15.6878 19.5853 19.5853 19.9835 19.9835 20.7709 20.7709 k = 0.4052 0.2339 0.5138 ( 2601 PWs) bands (ev): 4.2590 4.2590 4.3430 4.3430 4.3702 4.3702 4.4414 4.4414 4.9026 4.9026 4.9642 4.9642 4.9772 4.9772 5.1099 5.1099 5.1736 5.1736 5.3006 5.3006 7.5173 7.5173 7.7441 7.7441 8.2258 8.2258 8.3927 8.3927 8.5926 8.5926 8.9004 8.9004 8.9928 8.9928 9.3664 9.3664 9.6332 9.6332 9.8233 9.8233 10.1306 10.1306 10.4659 10.4659 11.9108 11.9108 13.8364 13.8364 15.6666 15.6666 19.5541 19.5541 20.0455 20.0455 20.9656 20.9656 k = 0.4009 0.2314 0.5279 ( 2601 PWs) bands (ev): 4.2510 4.2510 4.3379 4.3379 4.3720 4.3720 4.4423 4.4423 4.8989 4.8989 4.9660 4.9660 4.9724 4.9724 5.1114 5.1114 5.1776 5.1776 5.3110 5.3110 7.5479 7.5479 7.7705 7.7705 8.2105 8.2105 8.3925 8.3925 8.5857 8.5857 8.9024 8.9024 9.0153 9.0153 9.3841 9.3841 9.6387 9.6387 9.8389 9.8389 10.1308 10.1308 10.4882 10.4882 11.7609 11.7609 13.7388 13.7388 15.6470 15.6470 19.4317 19.4317 20.2037 20.2037 21.1608 21.1608 k = 0.3966 0.2289 0.5420 ( 2598 PWs) bands (ev): 4.2428 4.2428 4.3331 4.3331 4.3740 4.3740 4.4432 4.4432 4.8953 4.8953 4.9647 4.9647 4.9707 4.9707 5.1127 5.1127 5.1820 5.1820 5.3213 5.3213 7.5739 7.5739 7.7952 7.7952 8.1936 8.1936 8.3926 8.3926 8.5804 8.5804 8.9026 8.9026 9.0424 9.0424 9.4042 9.4042 9.6425 9.6425 9.8569 9.8569 10.1312 10.1312 10.5067 10.5067 11.6248 11.6248 13.6461 13.6461 15.6290 15.6290 19.2846 19.2846 20.3920 20.3920 21.3550 21.3550 k = 0.3922 0.2265 0.5561 ( 2592 PWs) bands (ev): 4.2348 4.2348 4.3289 4.3289 4.3761 4.3761 4.4443 4.4443 4.8917 4.8917 4.9596 4.9596 4.9731 4.9731 5.1136 5.1136 5.1866 5.1866 5.3316 5.3316 7.5951 7.5951 7.8169 7.8169 8.1767 8.1767 8.3923 8.3923 8.5767 8.5767 8.9020 8.9020 9.0721 9.0721 9.4262 9.4262 9.6452 9.6452 9.8767 9.8767 10.1329 10.1329 10.5188 10.5188 11.5057 11.5057 13.5584 13.5584 15.6125 15.6125 19.1311 19.1311 20.5922 20.5922 21.5442 21.5442 k = 0.3879 0.2240 0.5701 ( 2598 PWs) bands (ev): 4.2267 4.2267 4.3250 4.3250 4.3781 4.3781 4.4454 4.4454 4.8882 4.8882 4.9536 4.9536 4.9762 4.9762 5.1140 5.1140 5.1915 5.1915 5.3417 5.3417 7.6119 7.6119 7.8330 7.8330 8.1616 8.1616 8.3912 8.3912 8.5748 8.5748 8.9012 8.9012 9.1026 9.1026 9.4495 9.4495 9.6477 9.6477 9.8972 9.8972 10.1374 10.1374 10.5215 10.5215 11.4075 11.4075 13.4761 13.4761 15.5973 15.5973 18.9761 18.9761 20.7987 20.7987 21.5786 21.5786 k = 0.3836 0.2215 0.5842 ( 2602 PWs) bands (ev): 4.2187 4.2187 4.3216 4.3216 4.3799 4.3799 4.4468 4.4468 4.8848 4.8848 4.9473 4.9473 4.9797 4.9797 5.1140 5.1140 5.1969 5.1969 5.3517 5.3517 7.6246 7.6246 7.8406 7.8406 8.1512 8.1512 8.3893 8.3893 8.5744 8.5744 8.9008 8.9008 9.1324 9.1324 9.4721 9.4721 9.6514 9.6514 9.9164 9.9164 10.1473 10.1473 10.5118 10.5118 11.3343 11.3343 13.3994 13.3994 15.5835 15.5835 18.8218 18.8218 21.0082 21.0082 21.5454 21.5454 k = 0.3793 0.2190 0.5983 ( 2604 PWs) bands (ev): 4.2109 4.2109 4.3187 4.3187 4.3816 4.3816 4.4483 4.4483 4.8816 4.8816 4.9409 4.9409 4.9834 4.9834 5.1136 5.1136 5.2026 5.2026 5.3616 5.3616 7.6336 7.6336 7.8369 7.8369 8.1477 8.1477 8.3867 8.3867 8.5756 8.5756 8.9010 8.9010 9.1600 9.1600 9.4913 9.4913 9.6582 9.6582 9.9319 9.9319 10.1658 10.1658 10.4882 10.4882 11.2887 11.2887 13.3286 13.3286 15.5708 15.5708 18.6688 18.6688 21.2141 21.2141 21.5215 21.5215 k = 0.3750 0.2165 0.6124 ( 2600 PWs) bands (ev): 4.2035 4.2035 4.3165 4.3165 4.3830 4.3830 4.4500 4.4500 4.8785 4.8785 4.9346 4.9346 4.9874 4.9874 5.1129 5.1129 5.2086 5.2086 5.3715 5.3715 7.6392 7.6392 7.8207 7.8207 8.1517 8.1517 8.3837 8.3837 8.5781 8.5781 8.9020 8.9020 9.1848 9.1848 9.5037 9.5037 9.6697 9.6697 9.9412 9.9412 10.1963 10.1963 10.4525 10.4525 11.2703 11.2703 13.2640 13.2640 15.5592 15.5592 18.5179 18.5179 21.3741 21.3741 21.5493 21.5493 k = 0.6250-0.0722 0.4082 ( 2600 PWs) bands (ev): 4.2035 4.2035 4.3165 4.3165 4.3830 4.3830 4.4500 4.4500 4.8785 4.8785 4.9346 4.9346 4.9874 4.9874 5.1129 5.1129 5.2086 5.2086 5.3715 5.3715 7.6392 7.6392 7.8207 7.8207 8.1517 8.1517 8.3837 8.3837 8.5781 8.5781 8.9020 8.9020 9.1848 9.1848 9.5037 9.5037 9.6697 9.6697 9.9412 9.9412 10.1963 10.1963 10.4525 10.4525 11.2703 11.2703 13.2640 13.2640 15.5592 15.5592 18.5179 18.5179 21.3741 21.3741 21.5493 21.5493 k = 0.6176-0.0849 0.4082 ( 2600 PWs) bands (ev): 4.1911 4.1911 4.3130 4.3130 4.3846 4.3846 4.4532 4.4532 4.8734 4.8734 4.9238 4.9238 4.9944 4.9944 5.1111 5.1111 5.2195 5.2195 5.3879 5.3879 7.6428 7.6428 7.7833 7.7833 8.1644 8.1644 8.3782 8.3782 8.5853 8.5853 8.9043 8.9043 9.2217 9.2217 9.5155 9.5155 9.6904 9.6904 9.9509 9.9509 10.2667 10.2667 10.3887 10.3887 11.2628 11.2628 13.1607 13.1607 15.5407 15.5407 18.2638 18.2638 21.5329 21.5329 21.7182 21.7182 k = 0.6103-0.0976 0.4082 ( 2604 PWs) bands (ev): 4.1790 4.1790 4.3095 4.3095 4.3854 4.3854 4.4568 4.4568 4.8682 4.8682 4.9133 4.9133 5.0019 5.0019 5.1093 5.1093 5.2309 5.2309 5.4039 5.4039 7.6400 7.6400 7.7481 7.7481 8.1763 8.1763 8.3730 8.3730 8.5957 8.5957 8.9064 8.9064 9.2539 9.2539 9.5228 9.5228 9.7035 9.7035 9.9589 9.9589 10.3242 10.3242 10.3625 10.3625 11.2603 11.2603 13.0605 13.0605 15.5228 15.5228 18.0138 18.0138 21.6946 21.6946 21.8894 21.8894 k = 0.6029-0.1104 0.4082 ( 2606 PWs) bands (ev): 4.1673 4.1673 4.3060 4.3060 4.3856 4.3856 4.4606 4.4606 4.8632 4.8632 4.9033 4.9033 5.0097 5.0097 5.1076 5.1076 5.2428 5.2428 5.4192 5.4192 7.6279 7.6279 7.7195 7.7195 8.1862 8.1862 8.3703 8.3703 8.6079 8.6079 8.9084 8.9084 9.2817 9.2817 9.5254 9.5254 9.7081 9.7081 9.9644 9.9644 10.2903 10.2903 10.4511 10.4511 11.2638 11.2638 12.9635 12.9635 15.5053 15.5053 17.7687 17.7687 21.8590 21.8590 22.0625 22.0625 k = 0.5956-0.1231 0.4082 ( 2606 PWs) bands (ev): 4.1561 4.1561 4.3026 4.3026 4.3853 4.3853 4.4646 4.4646 4.8582 4.8582 4.8937 4.8937 5.0178 5.0178 5.1062 5.1062 5.2548 5.2548 5.4339 5.4339 7.6041 7.6041 7.7012 7.7012 8.1930 8.1930 8.3717 8.3717 8.6212 8.6212 8.9104 8.9104 9.3060 9.3060 9.5224 9.5224 9.7049 9.7049 9.9672 9.9672 10.2646 10.2646 10.5512 10.5512 11.2753 11.2753 12.8702 12.8702 15.4878 15.4878 17.5295 17.5295 22.0256 22.0256 22.2372 22.2372 k = 0.5882-0.1358 0.4082 ( 2608 PWs) bands (ev): 4.1453 4.1453 4.2993 4.2993 4.3846 4.3846 4.4685 4.4685 4.8533 4.8533 4.8847 4.8847 5.0261 5.0261 5.1050 5.1050 5.2667 5.2667 5.4476 5.4476 7.5717 7.5717 7.6912 7.6912 8.1962 8.1962 8.3782 8.3782 8.6350 8.6350 8.9123 8.9123 9.3270 9.3270 9.5120 9.5120 9.6966 9.6966 9.9678 9.9678 10.2523 10.2523 10.6513 10.6513 11.2974 11.2974 12.7807 12.7807 15.4701 15.4701 17.2972 17.2972 22.1940 22.1940 22.4131 22.4131 k = 0.5809-0.1486 0.4082 ( 2608 PWs) bands (ev): 4.1353 4.1353 4.2961 4.2961 4.3837 4.3837 4.4722 4.4722 4.8485 4.8485 4.8764 4.8764 5.0345 5.0345 5.1041 5.1041 5.2783 5.2783 5.4607 5.4607 7.5356 7.5356 7.6853 7.6853 8.1958 8.1958 8.3898 8.3898 8.6489 8.6489 8.9142 8.9142 9.3452 9.3452 9.4924 9.4924 9.6869 9.6869 9.9673 9.9673 10.2515 10.2515 10.7441 10.7441 11.3341 11.3341 12.6956 12.6956 15.4516 15.4516 17.0732 17.0732 22.3638 22.3638 22.5898 22.5898 k = 0.5735-0.1613 0.4082 ( 2602 PWs) bands (ev): 4.1258 4.1258 4.2930 4.2930 4.3826 4.3826 4.4759 4.4759 4.8439 4.8439 4.8688 4.8688 5.0430 5.0430 5.1037 5.1037 5.2896 5.2896 5.4728 5.4728 7.4990 7.4990 7.6812 7.6812 8.1926 8.1926 8.4056 8.4056 8.6629 8.6629 8.9162 8.9162 9.3608 9.3608 9.4630 9.4630 9.6789 9.6789 9.9667 9.9667 10.2592 10.2592 10.8232 10.8232 11.3893 11.3893 12.6153 12.6153 15.4316 15.4316 16.8591 16.8591 22.5342 22.5342 22.7671 22.7671 k = 0.5662-0.1741 0.4082 ( 2602 PWs) bands (ev): 4.1170 4.1170 4.2902 4.2902 4.3815 4.3815 4.4792 4.4792 4.8392 4.8392 4.8621 4.8621 5.0511 5.0511 5.1033 5.1033 5.3005 5.3005 5.4838 5.4838 7.4634 7.4634 7.6780 7.6780 8.1876 8.1876 8.4245 8.4245 8.6769 8.6769 8.9184 8.9184 9.3743 9.3743 9.4251 9.4251 9.6739 9.6739 9.9666 9.9666 10.2727 10.2727 10.8845 10.8845 11.4643 11.4643 12.5404 12.5404 15.4091 15.4091 16.6571 16.6571 22.7043 22.7043 22.9443 22.9443 k = 0.5588-0.1868 0.4082 ( 2602 PWs) bands (ev): 4.1091 4.1091 4.2875 4.2875 4.3803 4.3803 4.4820 4.4820 4.8348 4.8348 4.8563 4.8563 5.0589 5.0589 5.1031 5.1031 5.3105 5.3105 5.4939 5.4939 7.4300 7.4300 7.6752 7.6752 8.1817 8.1817 8.4452 8.4452 8.6910 8.6910 8.9210 8.9210 9.3809 9.3809 9.3859 9.3859 9.6717 9.6717 9.9669 9.9669 10.2897 10.2897 10.9283 10.9283 11.5562 11.5562 12.4714 12.4714 15.3831 15.3831 16.4698 16.4698 22.8729 22.8729 23.1209 23.1209 k = 0.5515-0.1995 0.4082 ( 2602 PWs) bands (ev): 4.1020 4.1020 4.2851 4.2851 4.3792 4.3792 4.4846 4.4846 4.8306 4.8306 4.8513 4.8513 5.0662 5.0662 5.1030 5.1030 5.3196 5.3196 5.5030 5.5030 7.3991 7.3991 7.6727 7.6727 8.1756 8.1756 8.4667 8.4667 8.7053 8.7053 8.9240 8.9240 9.3334 9.3334 9.3952 9.3952 9.6714 9.6714 9.9677 9.9677 10.3084 10.3084 10.9583 10.9583 11.6584 11.6584 12.4093 12.4093 15.3520 15.3520 16.3007 16.3007 23.0382 23.0382 23.2961 23.2961 k = 0.5441-0.2123 0.4082 ( 2606 PWs) bands (ev): 4.0958 4.0958 4.2830 4.2830 4.3781 4.3781 4.4867 4.4867 4.8267 4.8267 4.8472 4.8472 5.0727 5.0727 5.1031 5.1031 5.3278 5.3278 5.5109 5.5109 7.3715 7.3715 7.6705 7.6705 8.1696 8.1696 8.4879 8.4879 8.7198 8.7198 8.9279 8.9279 9.2842 9.2842 9.4030 9.4030 9.6723 9.6723 9.9687 9.9687 10.3274 10.3274 10.9785 10.9785 11.7635 11.7635 12.3552 12.3552 15.3144 15.3144 16.1536 16.1536 23.1979 23.1979 23.4686 23.4686 k = 0.5368-0.2250 0.4082 ( 2594 PWs) bands (ev): 4.0905 4.0905 4.2812 4.2812 4.3773 4.3773 4.4887 4.4887 4.8233 4.8233 4.8439 4.8439 5.0787 5.0787 5.1035 5.1035 5.3349 5.3349 5.5179 5.5179 7.3475 7.3475 7.6686 7.6686 8.1643 8.1643 8.5077 8.5077 8.7346 8.7346 8.9331 8.9331 9.2352 9.2352 9.4094 9.4094 9.6739 9.6739 9.9698 9.9698 10.3456 10.3456 10.9923 10.9923 11.8638 11.8638 12.3106 12.3106 15.2697 15.2697 16.0317 16.0317 23.3487 23.3487 23.6367 23.6367 k = 0.5294-0.2377 0.4082 ( 2590 PWs) bands (ev): 4.0863 4.0863 4.2798 4.2798 4.3765 4.3765 4.4902 4.4902 4.8203 4.8203 4.8413 4.8413 5.0836 5.0836 5.1038 5.1038 5.3410 5.3410 5.5235 5.5235 7.3274 7.3274 7.6670 7.6670 8.1596 8.1596 8.5253 8.5253 8.7492 8.7492 8.9401 8.9401 9.1878 9.1878 9.4145 9.4145 9.6756 9.6756 9.9709 9.9709 10.3620 10.3620 11.0016 11.0016 11.9515 11.9515 12.2782 12.2782 15.2196 15.2196 15.9370 15.9370 23.4860 23.4860 23.7973 23.7973 k = 0.5221-0.2505 0.4082 ( 2594 PWs) bands (ev): 4.0827 4.0827 4.2785 4.2785 4.3759 4.3759 4.4914 4.4914 4.8178 4.8178 4.8392 4.8392 5.0875 5.0875 5.1042 5.1042 5.3458 5.3458 5.5275 5.5275 7.3114 7.3114 7.6658 7.6658 8.1558 8.1558 8.5397 8.5397 8.7629 8.7629 8.9497 8.9497 9.1432 9.1432 9.4182 9.4182 9.6772 9.6772 9.9718 9.9718 10.3758 10.3758 11.0078 11.0078 12.0182 12.0182 12.2615 12.2615 15.1689 15.1689 15.8686 15.8686 23.6040 23.6040 23.9452 23.9452 k = 0.5147-0.2632 0.4082 ( 2586 PWs) bands (ev): 4.0802 4.0802 4.2776 4.2776 4.3756 4.3756 4.4923 4.4923 4.8160 4.8160 4.8378 4.8378 5.0903 5.0903 5.1047 5.1047 5.3495 5.3495 5.5306 5.5306 7.2999 7.2999 7.6649 7.6649 8.1531 8.1531 8.5504 8.5504 8.7745 8.7745 8.9622 8.9622 9.1033 9.1033 9.4209 9.4209 9.6784 9.6784 9.9726 9.9726 10.3862 10.3862 11.0118 11.0118 12.0578 12.0578 12.2618 12.2618 15.1247 15.1247 15.8236 15.8236 23.6956 23.6956 24.0711 24.0711 k = 0.5074-0.2759 0.4082 ( 2586 PWs) bands (ev): 4.0787 4.0787 4.2771 4.2771 4.3753 4.3753 4.4928 4.4928 4.8149 4.8149 4.8369 4.8369 5.0919 5.0919 5.1050 5.1050 5.3516 5.3516 5.5325 5.5325 7.2929 7.2929 7.6643 7.6643 8.1514 8.1514 8.5569 8.5569 8.7822 8.7822 8.9764 8.9764 9.0717 9.0717 9.4224 9.4224 9.6792 9.6792 9.9730 9.9730 10.3926 10.3926 11.0141 11.0141 12.0743 12.0743 12.2711 12.2711 15.0946 15.0946 15.7983 15.7983 23.7541 23.7541 24.1600 24.1600 k = 0.5000-0.2887 0.4082 ( 2586 PWs) bands (ev): 4.0783 4.0783 4.2769 4.2769 4.3752 4.3752 4.4930 4.4930 4.8146 4.8146 4.8366 4.8366 5.0924 5.0924 5.1051 5.1051 5.3523 5.3523 5.5331 5.5331 7.2906 7.2906 7.6642 7.6642 8.1509 8.1509 8.5591 8.5591 8.7850 8.7850 8.9843 8.9843 9.0578 9.0578 9.4229 9.4229 9.6795 9.6795 9.9732 9.9732 10.3948 10.3948 11.0148 11.0148 12.0782 12.0782 12.2762 12.2762 15.0839 15.0839 15.7902 15.7902 23.7742 23.7742 24.1929 24.1929 Writing output data file Cd2AgAu.save init_run : 0.48s CPU 0.65s WALL ( 1 calls) electrons : 189.87s CPU 192.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 189.86s CPU 192.79s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 317 calls) cegterg : 177.93s CPU 180.43s WALL ( 507 calls) Called by sum_band: Called by *egterg: h_psi : 99.82s CPU 101.50s WALL ( 8436 calls) s_psi : 6.14s CPU 6.18s WALL ( 8436 calls) g_psi : 0.18s CPU 0.20s WALL ( 7612 calls) cdiaghg : 66.27s CPU 67.03s WALL ( 7929 calls) cegterg:over : 5.85s CPU 6.05s WALL ( 7612 calls) cegterg:upda : 4.23s CPU 4.17s WALL ( 7612 calls) cegterg:last : 2.65s CPU 2.74s WALL ( 1471 calls) cdiaghg:chol : 3.73s CPU 3.74s WALL ( 7929 calls) cdiaghg:inve : 2.72s CPU 2.62s WALL ( 7929 calls) cdiaghg:para : 4.10s CPU 4.17s WALL ( 15858 calls) Called by h_psi: h_psi:vloc : 87.08s CPU 88.58s WALL ( 8436 calls) h_psi:vnl : 12.58s CPU 12.75s WALL ( 8436 calls) add_vuspsi : 6.85s CPU 6.96s WALL ( 8436 calls) General routines calbec : 5.70s CPU 5.76s WALL ( 8436 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 78.88s CPU 80.49s WALL ( 1053172 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.15s WALL ( 634 calls) Parallel routines fft_scatter : 28.40s CPU 28.84s WALL ( 1053195 calls) PWSCF : 3m24.32s CPU 3m37.44s WALL This run was terminated on: 18:20: 6 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=