Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 14:39:24 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: ./MgCdAg2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 35 10 3743 837 128 Max 97 36 11 3748 862 132 Sum 3463 1285 367 134795 30395 4645 bravais-lattice index = 14 lattice parameter (alat) = 8.8713 a.u. unit-cell volume = 493.6789 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.871284 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Mg 10.00 24.30500 Mg( 1.00) Ag 11.00 107.86820 Ag( 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 0.3308823 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 0.7058823), 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 0.3308823 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 0.4558823), 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 0.2941176), 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 0.0441176), 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 0.0853658 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 0.1951219), 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 0.4146341), 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 0.5431034), 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 0.6691176), 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 0.6691176), 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 0.5808823), 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 0.4558823 0.5441176), 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 0.5431034), 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 0.5441176), 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: 134795 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 30395 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 212, 52) NL pseudopotentials 0.19 Mb ( 106, 116) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3745) G-vector shells 0.01 Mb ( 800) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 212, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.18 Mb ( 116, 2, 52) The potential is recalculated from file : ./MgCdAg2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.5 secs Computing kpt #: 13 total cpu time spent up to now is 9.0 secs Computing kpt #: 14 total cpu time spent up to now is 9.4 secs Computing kpt #: 15 total cpu time spent up to now is 9.9 secs Computing kpt #: 16 total cpu time spent up to now is 10.4 secs Computing kpt #: 17 total cpu time spent up to now is 10.9 secs Computing kpt #: 18 total cpu time spent up to now is 11.5 secs Computing kpt #: 19 total cpu time spent up to now is 12.0 secs Computing kpt #: 20 total cpu time spent up to now is 12.5 secs Computing kpt #: 21 total cpu time spent up to now is 13.0 secs Computing kpt #: 22 total cpu time spent up to now is 13.5 secs Computing kpt #: 23 total cpu time spent up to now is 14.1 secs Computing kpt #: 24 total cpu time spent up to now is 14.6 secs Computing kpt #: 25 total cpu time spent up to now is 15.2 secs Computing kpt #: 26 total cpu time spent up to now is 15.7 secs Computing kpt #: 27 total cpu time spent up to now is 16.2 secs Computing kpt #: 28 total cpu time spent up to now is 16.8 secs Computing kpt #: 29 total cpu time spent up to now is 17.3 secs Computing kpt #: 30 total cpu time spent up to now is 17.8 secs Computing kpt #: 31 total cpu time spent up to now is 18.4 secs Computing kpt #: 32 total cpu time spent up to now is 18.9 secs Computing kpt #: 33 total cpu time spent up to now is 19.4 secs Computing kpt #: 34 total cpu time spent up to now is 20.0 secs Computing kpt #: 35 total cpu time spent up to now is 20.5 secs Computing kpt #: 36 total cpu time spent up to now is 21.0 secs Computing kpt #: 37 total cpu time spent up to now is 21.6 secs Computing kpt #: 38 total cpu time spent up to now is 22.1 secs Computing kpt #: 39 total cpu time spent up to now is 22.6 secs Computing kpt #: 40 total cpu time spent up to now is 23.2 secs Computing kpt #: 41 total cpu time spent up to now is 23.7 secs Computing kpt #: 42 total cpu time spent up to now is 24.2 secs Computing kpt #: 43 total cpu time spent up to now is 24.7 secs Computing kpt #: 44 total cpu time spent up to now is 25.3 secs Computing kpt #: 45 total cpu time spent up to now is 25.8 secs Computing kpt #: 46 total cpu time spent up to now is 26.3 secs Computing kpt #: 47 total cpu time spent up to now is 26.8 secs Computing kpt #: 48 total cpu time spent up to now is 27.5 secs Computing kpt #: 49 total cpu time spent up to now is 28.1 secs Computing kpt #: 50 total cpu time spent up to now is 28.7 secs Computing kpt #: 51 total cpu time spent up to now is 29.4 secs Computing kpt #: 52 total cpu time spent up to now is 30.1 secs Computing kpt #: 53 total cpu time spent up to now is 31.0 secs Computing kpt #: 54 total cpu time spent up to now is 31.8 secs Computing kpt #: 55 total cpu time spent up to now is 33.1 secs Computing kpt #: 56 total cpu time spent up to now is 34.3 secs Computing kpt #: 57 total cpu time spent up to now is 35.7 secs Computing kpt #: 58 total cpu time spent up to now is 36.4 secs Computing kpt #: 59 total cpu time spent up to now is 37.4 secs Computing kpt #: 60 total cpu time spent up to now is 38.0 secs Computing kpt #: 61 total cpu time spent up to now is 38.6 secs Computing kpt #: 62 total cpu time spent up to now is 39.1 secs Computing kpt #: 63 total cpu time spent up to now is 39.6 secs Computing kpt #: 64 total cpu time spent up to now is 40.2 secs Computing kpt #: 65 total cpu time spent up to now is 40.7 secs Computing kpt #: 66 total cpu time spent up to now is 41.2 secs Computing kpt #: 67 total cpu time spent up to now is 41.7 secs Computing kpt #: 68 total cpu time spent up to now is 42.2 secs Computing kpt #: 69 total cpu time spent up to now is 42.7 secs Computing kpt #: 70 total cpu time spent up to now is 43.1 secs Computing kpt #: 71 total cpu time spent up to now is 43.6 secs Computing kpt #: 72 total cpu time spent up to now is 44.1 secs Computing kpt #: 73 total cpu time spent up to now is 44.6 secs Computing kpt #: 74 total cpu time spent up to now is 45.0 secs Computing kpt #: 75 total cpu time spent up to now is 45.5 secs Computing kpt #: 76 total cpu time spent up to now is 46.0 secs Computing kpt #: 77 total cpu time spent up to now is 46.4 secs Computing kpt #: 78 total cpu time spent up to now is 46.9 secs Computing kpt #: 79 total cpu time spent up to now is 47.4 secs Computing kpt #: 80 total cpu time spent up to now is 47.8 secs Computing kpt #: 81 total cpu time spent up to now is 48.3 secs Computing kpt #: 82 total cpu time spent up to now is 48.8 secs Computing kpt #: 83 total cpu time spent up to now is 49.3 secs Computing kpt #: 84 total cpu time spent up to now is 49.7 secs Computing kpt #: 85 total cpu time spent up to now is 50.2 secs Computing kpt #: 86 total cpu time spent up to now is 50.8 secs Computing kpt #: 87 total cpu time spent up to now is 51.3 secs Computing kpt #: 88 total cpu time spent up to now is 51.8 secs Computing kpt #: 89 total cpu time spent up to now is 52.4 secs Computing kpt #: 90 total cpu time spent up to now is 53.0 secs Computing kpt #: 91 total cpu time spent up to now is 53.7 secs Computing kpt #: 92 total cpu time spent up to now is 54.4 secs Computing kpt #: 93 total cpu time spent up to now is 55.4 secs Computing kpt #: 94 total cpu time spent up to now is 56.1 secs Computing kpt #: 95 total cpu time spent up to now is 56.7 secs Computing kpt #: 96 total cpu time spent up to now is 57.3 secs Computing kpt #: 97 total cpu time spent up to now is 57.9 secs Computing kpt #: 98 total cpu time spent up to now is 58.5 secs Computing kpt #: 99 total cpu time spent up to now is 59.0 secs Computing kpt #: 100 total cpu time spent up to now is 59.5 secs Computing kpt #: 101 total cpu time spent up to now is 60.1 secs Computing kpt #: 102 total cpu time spent up to now is 60.6 secs Computing kpt #: 103 total cpu time spent up to now is 61.1 secs Computing kpt #: 104 total cpu time spent up to now is 61.6 secs Computing kpt #: 105 total cpu time spent up to now is 62.0 secs Computing kpt #: 106 total cpu time spent up to now is 62.5 secs Computing kpt #: 107 total cpu time spent up to now is 63.0 secs Computing kpt #: 108 total cpu time spent up to now is 63.5 secs Computing kpt #: 109 total cpu time spent up to now is 63.9 secs Computing kpt #: 110 total cpu time spent up to now is 64.4 secs Computing kpt #: 111 total cpu time spent up to now is 64.9 secs Computing kpt #: 112 total cpu time spent up to now is 65.3 secs Computing kpt #: 113 total cpu time spent up to now is 65.8 secs Computing kpt #: 114 total cpu time spent up to now is 66.3 secs Computing kpt #: 115 total cpu time spent up to now is 66.7 secs Computing kpt #: 116 total cpu time spent up to now is 67.2 secs Computing kpt #: 117 total cpu time spent up to now is 67.7 secs Computing kpt #: 118 total cpu time spent up to now is 68.2 secs Computing kpt #: 119 total cpu time spent up to now is 68.6 secs Computing kpt #: 120 total cpu time spent up to now is 69.1 secs Computing kpt #: 121 total cpu time spent up to now is 69.5 secs Computing kpt #: 122 total cpu time spent up to now is 70.0 secs Computing kpt #: 123 total cpu time spent up to now is 70.5 secs Computing kpt #: 124 total cpu time spent up to now is 70.9 secs Computing kpt #: 125 total cpu time spent up to now is 71.4 secs Computing kpt #: 126 total cpu time spent up to now is 71.8 secs Computing kpt #: 127 total cpu time spent up to now is 72.3 secs Computing kpt #: 128 total cpu time spent up to now is 72.8 secs Computing kpt #: 129 total cpu time spent up to now is 73.3 secs Computing kpt #: 130 total cpu time spent up to now is 73.8 secs Computing kpt #: 131 total cpu time spent up to now is 74.3 secs Computing kpt #: 132 total cpu time spent up to now is 74.8 secs Computing kpt #: 133 total cpu time spent up to now is 75.3 secs Computing kpt #: 134 total cpu time spent up to now is 75.8 secs Computing kpt #: 135 total cpu time spent up to now is 76.3 secs Computing kpt #: 136 total cpu time spent up to now is 76.8 secs Computing kpt #: 137 total cpu time spent up to now is 77.3 secs Computing kpt #: 138 total cpu time spent up to now is 77.8 secs Computing kpt #: 139 total cpu time spent up to now is 78.2 secs Computing kpt #: 140 total cpu time spent up to now is 78.7 secs Computing kpt #: 141 total cpu time spent up to now is 79.2 secs Computing kpt #: 142 total cpu time spent up to now is 79.7 secs Computing kpt #: 143 total cpu time spent up to now is 80.2 secs Computing kpt #: 144 total cpu time spent up to now is 80.7 secs Computing kpt #: 145 total cpu time spent up to now is 81.3 secs Computing kpt #: 146 total cpu time spent up to now is 81.8 secs Computing kpt #: 147 total cpu time spent up to now is 82.3 secs Computing kpt #: 148 total cpu time spent up to now is 82.8 secs Computing kpt #: 149 total cpu time spent up to now is 83.3 secs Computing kpt #: 150 total cpu time spent up to now is 83.8 secs Computing kpt #: 151 total cpu time spent up to now is 84.3 secs Computing kpt #: 152 total cpu time spent up to now is 84.8 secs Computing kpt #: 153 total cpu time spent up to now is 85.3 secs Computing kpt #: 154 total cpu time spent up to now is 85.8 secs Computing kpt #: 155 total cpu time spent up to now is 86.3 secs Computing kpt #: 156 total cpu time spent up to now is 86.8 secs Computing kpt #: 157 total cpu time spent up to now is 87.3 secs Computing kpt #: 158 total cpu time spent up to now is 87.8 secs Computing kpt #: 159 total cpu time spent up to now is 88.3 secs Computing kpt #: 160 total cpu time spent up to now is 88.8 secs Computing kpt #: 161 total cpu time spent up to now is 89.3 secs Computing kpt #: 162 total cpu time spent up to now is 89.7 secs Computing kpt #: 163 total cpu time spent up to now is 90.2 secs Computing kpt #: 164 total cpu time spent up to now is 90.7 secs Computing kpt #: 165 total cpu time spent up to now is 91.1 secs Computing kpt #: 166 total cpu time spent up to now is 91.6 secs Computing kpt #: 167 total cpu time spent up to now is 92.0 secs Computing kpt #: 168 total cpu time spent up to now is 92.5 secs Computing kpt #: 169 total cpu time spent up to now is 93.0 secs Computing kpt #: 170 total cpu time spent up to now is 93.4 secs Computing kpt #: 171 total cpu time spent up to now is 93.9 secs Computing kpt #: 172 total cpu time spent up to now is 94.4 secs Computing kpt #: 173 total cpu time spent up to now is 94.8 secs Computing kpt #: 174 total cpu time spent up to now is 95.3 secs Computing kpt #: 175 total cpu time spent up to now is 95.8 secs Computing kpt #: 176 total cpu time spent up to now is 96.2 secs Computing kpt #: 177 total cpu time spent up to now is 96.7 secs Computing kpt #: 178 total cpu time spent up to now is 97.2 secs Computing kpt #: 179 total cpu time spent up to now is 97.7 secs Computing kpt #: 180 total cpu time spent up to now is 98.1 secs Computing kpt #: 181 total cpu time spent up to now is 98.6 secs Computing kpt #: 182 total cpu time spent up to now is 99.1 secs Computing kpt #: 183 total cpu time spent up to now is 99.5 secs Computing kpt #: 184 total cpu time spent up to now is 100.0 secs Computing kpt #: 185 total cpu time spent up to now is 100.5 secs Computing kpt #: 186 total cpu time spent up to now is 100.9 secs Computing kpt #: 187 total cpu time spent up to now is 101.4 secs Computing kpt #: 188 total cpu time spent up to now is 101.9 secs Computing kpt #: 189 total cpu time spent up to now is 102.3 secs Computing kpt #: 190 total cpu time spent up to now is 102.8 secs Computing kpt #: 191 total cpu time spent up to now is 103.3 secs Computing kpt #: 192 total cpu time spent up to now is 103.7 secs Computing kpt #: 193 total cpu time spent up to now is 104.1 secs Computing kpt #: 194 total cpu time spent up to now is 104.6 secs Computing kpt #: 195 total cpu time spent up to now is 106.4 secs Computing kpt #: 196 total cpu time spent up to now is 106.8 secs Computing kpt #: 197 total cpu time spent up to now is 107.3 secs Computing kpt #: 198 total cpu time spent up to now is 107.7 secs Computing kpt #: 199 total cpu time spent up to now is 108.2 secs Computing kpt #: 200 total cpu time spent up to now is 108.6 secs Computing kpt #: 201 total cpu time spent up to now is 109.0 secs Computing kpt #: 202 total cpu time spent up to now is 109.5 secs Computing kpt #: 203 total cpu time spent up to now is 109.9 secs Computing kpt #: 204 total cpu time spent up to now is 110.4 secs Computing kpt #: 205 total cpu time spent up to now is 110.8 secs Computing kpt #: 206 total cpu time spent up to now is 111.3 secs Computing kpt #: 207 total cpu time spent up to now is 111.8 secs Computing kpt #: 208 total cpu time spent up to now is 112.2 secs Computing kpt #: 209 total cpu time spent up to now is 112.7 secs Computing kpt #: 210 total cpu time spent up to now is 113.2 secs Computing kpt #: 211 total cpu time spent up to now is 113.7 secs Computing kpt #: 212 total cpu time spent up to now is 114.2 secs Computing kpt #: 213 total cpu time spent up to now is 114.7 secs Computing kpt #: 214 total cpu time spent up to now is 115.3 secs Computing kpt #: 215 total cpu time spent up to now is 116.2 secs Computing kpt #: 216 total cpu time spent up to now is 116.9 secs Computing kpt #: 217 total cpu time spent up to now is 117.7 secs Computing kpt #: 218 total cpu time spent up to now is 118.4 secs Computing kpt #: 219 total cpu time spent up to now is 119.0 secs Computing kpt #: 220 total cpu time spent up to now is 119.6 secs Computing kpt #: 221 total cpu time spent up to now is 120.1 secs Computing kpt #: 222 total cpu time spent up to now is 120.7 secs Computing kpt #: 223 total cpu time spent up to now is 121.2 secs Computing kpt #: 224 total cpu time spent up to now is 121.7 secs Computing kpt #: 225 total cpu time spent up to now is 122.2 secs Computing kpt #: 226 total cpu time spent up to now is 122.7 secs Computing kpt #: 227 total cpu time spent up to now is 123.2 secs Computing kpt #: 228 total cpu time spent up to now is 123.6 secs Computing kpt #: 229 total cpu time spent up to now is 124.1 secs Computing kpt #: 230 total cpu time spent up to now is 124.6 secs Computing kpt #: 231 total cpu time spent up to now is 125.0 secs Computing kpt #: 232 total cpu time spent up to now is 125.5 secs Computing kpt #: 233 total cpu time spent up to now is 126.0 secs Computing kpt #: 234 total cpu time spent up to now is 126.4 secs Computing kpt #: 235 total cpu time spent up to now is 126.9 secs Computing kpt #: 236 total cpu time spent up to now is 127.4 secs Computing kpt #: 237 total cpu time spent up to now is 127.9 secs Computing kpt #: 238 total cpu time spent up to now is 128.3 secs Computing kpt #: 239 total cpu time spent up to now is 128.8 secs Computing kpt #: 240 total cpu time spent up to now is 129.3 secs Computing kpt #: 241 total cpu time spent up to now is 129.8 secs Computing kpt #: 242 total cpu time spent up to now is 130.3 secs Computing kpt #: 243 total cpu time spent up to now is 130.7 secs Computing kpt #: 244 total cpu time spent up to now is 131.2 secs Computing kpt #: 245 total cpu time spent up to now is 131.7 secs Computing kpt #: 246 total cpu time spent up to now is 132.1 secs Computing kpt #: 247 total cpu time spent up to now is 132.6 secs Computing kpt #: 248 total cpu time spent up to now is 133.1 secs Computing kpt #: 249 total cpu time spent up to now is 133.6 secs Computing kpt #: 250 total cpu time spent up to now is 134.0 secs Computing kpt #: 251 total cpu time spent up to now is 134.6 secs Computing kpt #: 252 total cpu time spent up to now is 135.1 secs Computing kpt #: 253 total cpu time spent up to now is 135.6 secs Computing kpt #: 254 total cpu time spent up to now is 136.1 secs Computing kpt #: 255 total cpu time spent up to now is 136.6 secs Computing kpt #: 256 total cpu time spent up to now is 137.0 secs Computing kpt #: 257 total cpu time spent up to now is 137.5 secs Computing kpt #: 258 total cpu time spent up to now is 138.0 secs Computing kpt #: 259 total cpu time spent up to now is 138.5 secs Computing kpt #: 260 total cpu time spent up to now is 138.9 secs Computing kpt #: 261 total cpu time spent up to now is 139.4 secs Computing kpt #: 262 total cpu time spent up to now is 139.9 secs Computing kpt #: 263 total cpu time spent up to now is 140.3 secs Computing kpt #: 264 total cpu time spent up to now is 140.8 secs Computing kpt #: 265 total cpu time spent up to now is 141.2 secs Computing kpt #: 266 total cpu time spent up to now is 141.7 secs Computing kpt #: 267 total cpu time spent up to now is 142.2 secs Computing kpt #: 268 total cpu time spent up to now is 142.6 secs Computing kpt #: 269 total cpu time spent up to now is 143.2 secs Computing kpt #: 270 total cpu time spent up to now is 143.8 secs Computing kpt #: 271 total cpu time spent up to now is 144.4 secs Computing kpt #: 272 total cpu time spent up to now is 145.0 secs Computing kpt #: 273 total cpu time spent up to now is 145.4 secs Computing kpt #: 274 total cpu time spent up to now is 145.9 secs Computing kpt #: 275 total cpu time spent up to now is 146.3 secs Computing kpt #: 276 total cpu time spent up to now is 146.8 secs Computing kpt #: 277 total cpu time spent up to now is 147.2 secs Computing kpt #: 278 total cpu time spent up to now is 147.7 secs Computing kpt #: 279 total cpu time spent up to now is 148.1 secs Computing kpt #: 280 total cpu time spent up to now is 148.6 secs Computing kpt #: 281 total cpu time spent up to now is 149.0 secs Computing kpt #: 282 total cpu time spent up to now is 149.5 secs Computing kpt #: 283 total cpu time spent up to now is 149.9 secs Computing kpt #: 284 total cpu time spent up to now is 150.4 secs Computing kpt #: 285 total cpu time spent up to now is 150.8 secs Computing kpt #: 286 total cpu time spent up to now is 151.2 secs Computing kpt #: 287 total cpu time spent up to now is 151.7 secs Computing kpt #: 288 total cpu time spent up to now is 152.1 secs Computing kpt #: 289 total cpu time spent up to now is 152.6 secs Computing kpt #: 290 total cpu time spent up to now is 153.1 secs Computing kpt #: 291 total cpu time spent up to now is 153.5 secs Computing kpt #: 292 total cpu time spent up to now is 154.0 secs Computing kpt #: 293 total cpu time spent up to now is 154.5 secs Computing kpt #: 294 total cpu time spent up to now is 155.0 secs Computing kpt #: 295 total cpu time spent up to now is 155.5 secs Computing kpt #: 296 total cpu time spent up to now is 156.0 secs Computing kpt #: 297 total cpu time spent up to now is 156.6 secs Computing kpt #: 298 total cpu time spent up to now is 157.5 secs Computing kpt #: 299 total cpu time spent up to now is 158.3 secs Computing kpt #: 300 total cpu time spent up to now is 158.9 secs Computing kpt #: 301 total cpu time spent up to now is 159.9 secs Computing kpt #: 302 total cpu time spent up to now is 160.9 secs Computing kpt #: 303 total cpu time spent up to now is 161.6 secs Computing kpt #: 304 total cpu time spent up to now is 162.7 secs Computing kpt #: 305 total cpu time spent up to now is 163.8 secs Computing kpt #: 306 total cpu time spent up to now is 165.0 secs Computing kpt #: 307 total cpu time spent up to now is 166.1 secs Computing kpt #: 308 total cpu time spent up to now is 167.4 secs Computing kpt #: 309 total cpu time spent up to now is 168.8 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.2 secs Computing kpt #: 311 total cpu time spent up to now is 171.5 secs Computing kpt #: 312 total cpu time spent up to now is 172.8 secs Computing kpt #: 313 total cpu time spent up to now is 173.7 secs Computing kpt #: 314 total cpu time spent up to now is 174.5 secs Computing kpt #: 315 total cpu time spent up to now is 177.6 secs Computing kpt #: 316 total cpu time spent up to now is 178.2 secs Computing kpt #: 317 total cpu time spent up to now is 178.9 secs ethr = 2.27E-08, avg # of iterations = 24.8 total cpu time spent up to now is 178.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1362 2.1362 2.1362 2.1362 2.7716 2.7716 2.7861 2.7861 2.7861 2.7861 3.0596 3.0596 5.5077 5.5077 5.5077 5.5077 5.7852 5.7852 5.9416 5.9416 5.9416 5.9416 6.8948 6.8948 6.8948 6.8948 7.1835 7.1835 7.3614 7.3614 7.3614 7.3614 14.3610 14.3610 14.7146 14.7146 14.7146 14.7146 15.0203 15.0203 15.8086 15.8086 15.9672 15.9672 k = 0.0104-0.0060 0.0085 ( 3759 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1362 2.1362 2.1362 2.1362 2.7715 2.7715 2.7861 2.7861 2.7862 2.7862 3.0612 3.0612 5.5077 5.5077 5.5085 5.5085 5.7856 5.7856 5.9415 5.9415 5.9421 5.9421 6.8942 6.8942 6.8945 6.8945 7.1830 7.1830 7.3604 7.3604 7.3613 7.3613 14.3477 14.3477 14.6923 14.6923 14.6982 14.6982 15.0093 15.0093 15.8293 15.8293 15.9837 15.9837 k = 0.0208-0.0120 0.0170 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1362 2.1362 2.1363 2.1363 2.7714 2.7714 2.7861 2.7861 2.7865 2.7865 3.0661 3.0661 5.5076 5.5076 5.5109 5.5109 5.7868 5.7868 5.9412 5.9412 5.9434 5.9434 6.8925 6.8925 6.8937 6.8937 7.1814 7.1814 7.3570 7.3570 7.3615 7.3615 14.3089 14.3089 14.6301 14.6301 14.6522 14.6522 14.9782 14.9782 15.8854 15.8854 16.0317 16.0317 k = 0.0312-0.0180 0.0255 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1363 2.1363 2.1363 2.1363 2.7713 2.7713 2.7860 2.7860 2.7869 2.7869 3.0743 3.0743 5.5074 5.5074 5.5149 5.5149 5.7888 5.7888 5.9407 5.9407 5.9458 5.9458 6.8899 6.8899 6.8924 6.8924 7.1790 7.1790 7.3512 7.3512 7.3613 7.3613 14.2476 14.2476 14.5386 14.5386 14.5840 14.5840 14.9312 14.9312 15.9636 15.9636 16.1081 16.1081 k = 0.0417-0.0241 0.0340 ( 3779 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1363 2.1363 2.1364 2.1364 2.7710 2.7710 2.7859 2.7859 2.7876 2.7876 3.0856 3.0856 5.5071 5.5071 5.5205 5.5205 5.7917 5.7917 5.9398 5.9398 5.9491 5.9491 6.8861 6.8861 6.8906 6.8906 7.1756 7.1756 7.3431 7.3431 7.3611 7.3611 14.1679 14.1679 14.4279 14.4279 14.5014 14.5014 14.8732 14.8732 16.0500 16.0500 16.2031 16.2031 k = 0.0521-0.0301 0.0425 ( 3779 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1363 2.1363 2.1365 2.1365 2.7707 2.7707 2.7858 2.7858 2.7884 2.7884 3.1003 3.1003 5.5065 5.5065 5.5277 5.5277 5.7957 5.7957 5.9389 5.9389 5.9533 5.9533 6.8815 6.8815 6.8883 6.8883 7.1713 7.1713 7.3328 7.3328 7.3609 7.3609 14.0735 14.0735 14.3053 14.3053 14.4110 14.4110 14.8076 14.8076 16.1190 16.1190 16.2601 16.2601 k = 0.0625-0.0361 0.0510 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1364 2.1364 2.1366 2.1366 2.7703 2.7703 2.7857 2.7857 2.7894 2.7894 3.1181 3.1181 5.5056 5.5056 5.5364 5.5364 5.8008 5.8008 5.9377 5.9377 5.9584 5.9584 6.8760 6.8760 6.8855 6.8855 7.1662 7.1662 7.3206 7.3206 7.3607 7.3607 13.9678 13.9678 14.1755 14.1755 14.3170 14.3170 14.7372 14.7372 16.0793 16.0793 16.3047 16.3047 k = 0.0729-0.0421 0.0595 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1364 2.1364 2.1367 2.1367 2.7699 2.7699 2.7855 2.7855 2.7907 2.7907 3.1392 3.1392 5.5043 5.5043 5.5467 5.5467 5.8073 5.8073 5.9364 5.9364 5.9642 5.9642 6.8695 6.8695 6.8821 6.8821 7.1602 7.1602 7.3063 7.3063 7.3604 7.3604 13.8537 13.8537 14.0412 14.0412 14.2224 14.2224 14.6634 14.6634 15.9520 15.9520 16.4015 16.4015 k = 0.0833-0.0481 0.0680 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1365 2.1365 2.1369 2.1369 2.7693 2.7693 2.7853 2.7853 2.7921 2.7921 3.1635 3.1635 5.5024 5.5024 5.5585 5.5585 5.8152 5.8152 5.9348 5.9348 5.9707 5.9707 6.8621 6.8621 6.8782 6.8782 7.1532 7.1532 7.2902 7.2902 7.3600 7.3600 13.7335 13.7335 13.9046 13.9046 14.1287 14.1287 14.5870 14.5870 15.7960 15.7960 16.5106 16.5106 k = 0.0938-0.0541 0.0765 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1365 2.1365 2.1370 2.1370 2.7687 2.7687 2.7851 2.7851 2.7937 2.7937 3.1909 3.1909 5.5001 5.5001 5.5718 5.5718 5.8247 5.8247 5.9331 5.9331 5.9779 5.9779 6.8540 6.8540 6.8737 6.8737 7.1454 7.1454 7.2726 7.2726 7.3596 7.3596 13.6090 13.6090 13.7666 13.7666 14.0370 14.0370 14.5080 14.5080 15.6261 15.6261 16.6222 16.6222 k = 0.1042-0.0601 0.0851 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1366 2.1366 2.1372 2.1372 2.7680 2.7680 2.7847 2.7847 2.7955 2.7955 3.2216 3.2216 5.4971 5.4971 5.5866 5.5866 5.8358 5.8358 5.9311 5.9311 5.9857 5.9857 6.8451 6.8451 6.8686 6.8686 7.1365 7.1365 7.2535 7.2535 7.3591 7.3591 13.4815 13.4815 13.6282 13.6282 13.9478 13.9478 14.4261 14.4261 15.4490 15.4490 16.7278 16.7278 k = 0.1146-0.0662 0.0936 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1366 2.1366 2.1373 2.1373 2.7672 2.7672 2.7844 2.7844 2.7975 2.7975 3.2553 3.2553 5.4935 5.4935 5.6028 5.6028 5.8486 5.8486 5.9290 5.9290 5.9941 5.9941 6.8355 6.8355 6.8629 6.8629 7.1266 7.1266 7.2335 7.2335 7.3586 7.3586 13.3522 13.3522 13.4900 13.4900 13.8616 13.8616 14.3398 14.3398 15.2699 15.2699 16.8162 16.8162 k = 0.1250-0.0722 0.1021 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1366 2.1366 2.1374 2.1374 2.7664 2.7664 2.7839 2.7839 2.7997 2.7997 3.2921 3.2921 5.4892 5.4892 5.6204 5.6204 5.8632 5.8632 5.9267 5.9267 6.0031 6.0031 6.8254 6.8254 6.8565 6.8565 7.1154 7.1154 7.2130 7.2130 7.3580 7.3580 13.2220 13.2220 13.3523 13.3523 13.7784 13.7784 14.2471 14.2471 15.0933 15.0933 16.8879 16.8879 k = 0.1354-0.0782 0.1106 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1367 2.1367 2.1375 2.1375 2.7654 2.7654 2.7834 2.7834 2.8020 2.8020 3.3320 3.3320 5.4844 5.4844 5.6393 5.6393 5.8795 5.8795 5.9244 5.9244 6.0127 6.0127 6.8148 6.8148 6.8496 6.8496 7.1026 7.1026 7.1923 7.1923 7.3575 7.3575 13.0915 13.0915 13.2155 13.2155 13.6985 13.6985 14.1450 14.1450 14.9240 14.9240 16.9536 16.9536 k = 0.1458-0.0842 0.1191 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1366 2.1366 2.1376 2.1376 2.7644 2.7644 2.7828 2.7828 2.8045 2.8045 3.3749 3.3749 5.4789 5.4789 5.6596 5.6596 5.8976 5.8976 5.9218 5.9218 6.0226 6.0226 6.8038 6.8038 6.8419 6.8419 7.0878 7.0878 7.1726 7.1726 7.3569 7.3569 12.9611 12.9611 13.0798 13.0798 13.6218 13.6218 14.0298 14.0298 14.7672 14.7672 17.0194 17.0194 k = 0.1562-0.0902 0.1276 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1366 2.1366 2.1377 2.1377 2.7634 2.7634 2.7821 2.7821 2.8071 2.8071 3.4207 3.4207 5.4730 5.4730 5.6810 5.6810 5.9173 5.9173 5.9191 5.9191 6.0330 6.0330 6.7924 6.7924 6.8335 6.8335 7.0703 7.0703 7.1541 7.1541 7.3563 7.3563 12.8313 12.8313 12.9455 12.9455 13.5484 13.5484 13.8982 13.8982 14.6271 14.6271 17.0876 17.0876 k = 0.1667-0.0962 0.1361 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1365 2.1365 2.1377 2.1377 2.7623 2.7623 2.7814 2.7814 2.8099 2.8099 3.4695 3.4695 5.4666 5.4666 5.7036 5.7036 5.9162 5.9162 5.9388 5.9388 6.0438 6.0438 6.7809 6.7809 6.8245 6.8245 7.0502 7.0502 7.1377 7.1377 7.3557 7.3557 12.7024 12.7024 12.8126 12.8126 13.4784 13.4784 13.7488 13.7488 14.5059 14.5059 17.1590 17.1590 k = 0.1771-0.1022 0.1446 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1365 2.1365 2.1377 2.1377 2.7611 2.7611 2.7805 2.7805 2.8129 2.8129 3.5210 3.5210 5.4598 5.4598 5.7273 5.7273 5.9133 5.9133 5.9618 5.9618 6.0549 6.0549 6.7692 6.7692 6.8147 6.8147 7.0275 7.0275 7.1233 7.1233 7.3551 7.3551 12.5747 12.5747 12.6813 12.6813 13.4115 13.4115 13.5829 13.5829 14.4029 14.4029 17.2341 17.2341 k = 0.1875-0.1083 0.1531 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1363 2.1363 2.1376 2.1376 2.7599 2.7599 2.7796 2.7796 2.8159 2.8159 3.5753 3.5753 5.4527 5.4527 5.7520 5.7520 5.9103 5.9103 5.9863 5.9863 6.0664 6.0664 6.7574 6.7574 6.8042 6.8042 7.0027 7.0027 7.1106 7.1106 7.3545 7.3545 12.4484 12.4484 12.5518 12.5518 13.3479 13.3479 13.4039 13.4039 14.3154 14.3154 17.3128 17.3128 k = 0.1979-0.1143 0.1616 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1362 2.1362 2.1375 2.1375 2.7587 2.7587 2.7786 2.7786 2.8190 2.8190 3.6323 3.6323 5.4453 5.4453 5.7775 5.7775 5.9072 5.9072 6.0122 6.0122 6.0782 6.0782 6.7459 6.7459 6.7931 6.7931 6.9765 6.9765 7.0994 7.0994 7.3539 7.3539 12.3237 12.3237 12.4241 12.4241 13.2154 13.2154 13.2875 13.2875 14.2402 14.2402 17.3954 17.3954 k = 0.2083-0.1203 0.1701 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1360 2.1360 2.1374 2.1374 2.7574 2.7574 2.7775 2.7775 2.8223 2.8223 3.6918 3.6918 5.4378 5.4378 5.8037 5.8037 5.9043 5.9043 6.0393 6.0393 6.0903 6.0903 6.7347 6.7347 6.7812 6.7812 6.9495 6.9495 7.0893 7.0893 7.3534 7.3534 12.2007 12.2007 12.2984 12.2984 13.0205 13.0205 13.2301 13.2301 14.1744 14.1744 17.4816 17.4816 k = 0.2188-0.1263 0.1786 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2380 -31.2380 -31.2380 -31.2380 2.1358 2.1358 2.1372 2.1372 2.7561 2.7561 2.7764 2.7764 2.8256 2.8256 3.7538 3.7538 5.4301 5.4301 5.8303 5.8303 5.9015 5.9015 6.0674 6.0674 6.1029 6.1029 6.7239 6.7239 6.7687 6.7687 6.9221 6.9221 7.0800 7.0800 7.3529 7.3529 12.0795 12.0795 12.1746 12.1746 12.8217 12.8217 13.1757 13.1757 14.1159 14.1159 17.5715 17.5715 k = 0.2292-0.1323 0.1871 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1355 2.1355 2.1369 2.1369 2.7548 2.7548 2.7752 2.7752 2.8290 2.8290 3.8181 3.8181 5.4224 5.4224 5.8565 5.8565 5.8997 5.8997 6.0957 6.0957 6.1165 6.1165 6.7137 6.7137 6.7555 6.7555 6.8949 6.8949 7.0716 7.0716 7.3524 7.3524 11.9605 11.9605 12.0529 12.0529 12.6207 12.6207 13.1242 13.1242 14.0633 14.0633 17.6650 17.6650 k = 0.2396-0.1383 0.1956 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1352 2.1352 2.1366 2.1366 2.7535 2.7535 2.7739 2.7739 2.8325 2.8325 3.8847 3.8847 5.4146 5.4146 5.8778 5.8778 5.9032 5.9032 6.1199 6.1199 6.1355 6.1355 6.7041 6.7041 6.7416 6.7416 6.8683 6.8683 7.0637 7.0637 7.3520 7.3520 11.8437 11.8437 11.9332 11.9332 12.4188 12.4188 13.0756 13.0756 14.0154 14.0154 17.7620 17.7620 k = 0.2500-0.1443 0.2041 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2381 -31.2381 -31.2380 -31.2380 2.1349 2.1349 2.1362 2.1362 2.7521 2.7521 2.7725 2.7725 2.8360 2.8360 3.9532 3.9532 5.4070 5.4070 5.8839 5.8839 5.9221 5.9221 6.1356 6.1356 6.1638 6.1638 6.6955 6.6955 6.7271 6.7271 6.8426 6.8426 7.0564 7.0564 7.3516 7.3516 11.7291 11.7291 11.8156 11.8156 12.2172 12.2172 13.0297 13.0297 13.9715 13.9715 17.8624 17.8624 k = 0.2604-0.1504 0.2126 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1345 2.1345 2.1357 2.1357 2.7508 2.7508 2.7711 2.7711 2.8396 2.8396 4.0236 4.0236 5.3995 5.3995 5.8825 5.8825 5.9484 5.9484 6.1487 6.1487 6.1955 6.1955 6.6880 6.6880 6.7119 6.7119 6.8181 6.8181 7.0496 7.0496 7.3513 7.3513 11.6170 11.6170 11.6997 11.6997 12.0169 12.0169 12.9865 12.9865 13.9312 13.9312 17.9662 17.9662 k = 0.2708-0.1564 0.2211 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1341 2.1341 2.1352 2.1352 2.7495 2.7495 2.7696 2.7696 2.8431 2.8431 4.0956 4.0956 5.3922 5.3922 5.8797 5.8797 5.9759 5.9759 6.1612 6.1612 6.2285 6.2285 6.6818 6.6818 6.6962 6.6962 6.7951 6.7951 7.0432 7.0432 7.3511 7.3511 11.5075 11.5075 11.5850 11.5850 11.8193 11.8193 12.9458 12.9458 13.8939 13.8939 18.0732 18.0732 k = 0.2812-0.1624 0.2296 ( 3783 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1337 2.1337 2.1346 2.1346 2.7481 2.7481 2.7681 2.7681 2.8466 2.8466 4.1690 4.1690 5.3851 5.3851 5.8764 5.8764 6.0033 6.0033 6.1732 6.1732 6.2622 6.2622 6.6771 6.6771 6.6802 6.6802 6.7739 6.7739 7.0372 7.0372 7.3509 7.3509 11.4007 11.4007 11.4689 11.4689 11.6273 11.6273 12.9076 12.9076 13.8594 13.8594 18.1834 18.1834 k = 0.2917-0.1684 0.2381 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1332 2.1332 2.1340 2.1340 2.7468 2.7468 2.7666 2.7666 2.8502 2.8502 4.2436 4.2436 5.3783 5.3783 5.8731 5.8731 6.0302 6.0302 6.1849 6.1849 6.2964 6.2964 6.6642 6.6642 6.6741 6.6741 6.7547 6.7547 7.0316 7.0316 7.3509 7.3509 11.2967 11.2967 11.3420 11.3420 11.4510 11.4510 12.8718 12.8718 13.8274 13.8274 18.2966 18.2966 k = 0.3021-0.1744 0.2467 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1327 2.1327 2.1334 2.1334 2.7455 2.7455 2.7650 2.7650 2.8537 2.8537 4.3189 4.3189 5.3719 5.3719 5.8697 5.8697 6.0559 6.0559 6.1963 6.1963 6.3310 6.3310 6.6485 6.6485 6.6732 6.6732 6.7374 6.7374 7.0264 7.0264 7.3510 7.3510 11.1847 11.1847 11.1958 11.1958 11.3103 11.3103 12.8382 12.8382 13.7977 13.7977 18.4128 18.4128 k = 0.3125-0.1804 0.2552 ( 3787 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1322 2.1322 2.1327 2.1327 2.7443 2.7443 2.7634 2.7634 2.8571 2.8571 4.3947 4.3947 5.3659 5.3659 5.8663 5.8663 6.0801 6.0801 6.2073 6.2073 6.3657 6.3657 6.6337 6.6337 6.6746 6.6746 6.7221 6.7221 7.0216 7.0216 7.3511 7.3511 11.0051 11.0051 11.0982 11.0982 11.1978 11.1978 12.8070 12.8070 13.7703 13.7703 18.5318 18.5318 k = 0.3229-0.1864 0.2637 ( 3787 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1317 2.1317 2.1319 2.1319 2.7431 2.7431 2.7619 2.7619 2.8605 2.8605 4.4705 4.4705 5.3603 5.3603 5.8630 5.8630 6.1024 6.1024 6.2179 6.2179 6.4004 6.4004 6.6200 6.6200 6.6785 6.6785 6.7088 6.7088 7.0171 7.0171 7.3515 7.3515 10.8204 10.8204 11.0038 11.0038 11.0966 11.0966 12.7778 12.7778 13.7449 13.7449 18.6536 18.6536 k = 0.3333-0.1925 0.2722 ( 3796 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1311 2.1311 2.1312 2.1312 2.7419 2.7419 2.7603 2.7603 2.8637 2.8637 4.5458 4.5458 5.3554 5.3554 5.8597 5.8597 6.1223 6.1223 6.2279 6.2279 6.4349 6.4349 6.6078 6.6078 6.6852 6.6852 6.6975 6.6975 7.0129 7.0129 7.3519 7.3519 10.6363 10.6363 10.9130 10.9130 11.0015 11.0015 12.7508 12.7508 13.7214 13.7214 18.7779 18.7779 k = 0.3438-0.1985 0.2807 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1304 2.1304 2.1306 2.1306 2.7407 2.7407 2.7588 2.7588 2.8669 2.8669 4.6202 4.6202 5.3510 5.3510 5.8566 5.8566 6.1394 6.1394 6.2375 6.2375 6.4691 6.4691 6.5975 6.5975 6.6886 6.6886 6.6951 6.6951 7.0091 7.0091 7.3526 7.3526 10.4546 10.4546 10.8259 10.8259 10.9112 10.9112 12.7257 12.7257 13.6998 13.6998 18.9048 18.9048 k = 0.3542-0.2045 0.2892 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1296 2.1296 2.1300 2.1300 2.7397 2.7397 2.7573 2.7573 2.8700 2.8700 4.6928 4.6928 5.3474 5.3474 5.8535 5.8535 6.1534 6.1534 6.2465 6.2465 6.5028 6.5028 6.5888 6.5888 6.6821 6.6821 6.7082 6.7082 7.0055 7.0055 7.3534 7.3534 10.2761 10.2761 10.7428 10.7428 10.8254 10.8254 12.7025 12.7025 13.6799 13.6799 19.0340 19.0340 k = 0.3646-0.2105 0.2977 ( 3776 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1288 2.1288 2.1295 2.1295 2.7386 2.7386 2.7558 2.7558 2.8729 2.8729 4.7632 4.7632 5.3446 5.3446 5.8506 5.8506 6.1643 6.1643 6.2549 6.2549 6.5361 6.5361 6.5816 6.5816 6.6785 6.6785 6.7247 6.7247 7.0022 7.0022 7.3543 7.3543 10.1015 10.1015 10.6639 10.6639 10.7441 10.7441 12.6813 12.6813 13.6616 13.6616 19.1653 19.1653 k = 0.3750-0.2165 0.3062 ( 3792 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1280 2.1280 2.1289 2.1289 2.7377 2.7377 2.7544 2.7544 2.8757 2.8757 4.8304 4.8304 5.3428 5.3428 5.8478 5.8478 6.1719 6.1719 6.2627 6.2627 6.5684 6.5684 6.5753 6.5753 6.6779 6.6779 6.7448 6.7448 6.9992 6.9992 7.3554 7.3554 9.9313 9.9313 10.5893 10.5893 10.6674 10.6674 12.6618 12.6618 13.6450 13.6450 19.2985 19.2985 k = 0.3854-0.2225 0.3147 ( 3784 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1272 2.1272 2.1284 2.1284 2.7368 2.7368 2.7531 2.7531 2.8783 2.8783 4.8937 4.8937 5.3424 5.3424 5.8452 5.8452 6.1767 6.1767 6.2699 6.2699 6.5697 6.5697 6.6000 6.6000 6.6805 6.6805 6.7686 6.7686 6.9964 6.9964 7.3568 7.3568 9.7660 9.7660 10.5194 10.5194 10.5955 10.5955 12.6441 12.6441 13.6299 13.6299 19.4334 19.4334 k = 0.3958-0.2285 0.3232 ( 3788 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1264 2.1264 2.1279 2.1279 2.7359 2.7359 2.7518 2.7518 2.8808 2.8808 4.9522 4.9522 5.3433 5.3433 5.8428 5.8428 6.1791 6.1791 6.2766 6.2766 6.5645 6.5645 6.6305 6.6305 6.6859 6.6859 6.7962 6.7962 6.9938 6.9938 7.3583 7.3583 9.6064 9.6064 10.4543 10.4543 10.5286 10.5286 12.6280 12.6280 13.6163 13.6163 19.5695 19.5695 k = 0.4062-0.2345 0.3317 ( 3788 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1257 2.1257 2.1274 2.1274 2.7351 2.7351 2.7507 2.7507 2.8830 2.8830 5.0049 5.0049 5.3460 5.3460 5.8406 5.8406 6.1794 6.1794 6.2827 6.2827 6.5594 6.5594 6.6595 6.6595 6.6937 6.6937 6.8275 6.8275 6.9915 6.9915 7.3601 7.3601 9.4532 9.4532 10.3944 10.3944 10.4670 10.4670 12.6137 12.6137 13.6042 13.6042 19.7067 19.7067 k = 0.4167-0.2406 0.3402 ( 3788 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1251 2.1251 2.1270 2.1270 2.7345 2.7345 2.7496 2.7496 2.8851 2.8851 5.0510 5.0510 5.3507 5.3507 5.8386 5.8386 6.1782 6.1782 6.2883 6.2883 6.5546 6.5546 6.6864 6.6864 6.7030 6.7030 6.8625 6.8625 6.9895 6.9895 7.3620 7.3620 9.3073 9.3073 10.3398 10.3398 10.4108 10.4108 12.6009 12.6009 13.5934 13.5934 19.8441 19.8441 k = 0.4271-0.2466 0.3487 ( 3796 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1245 2.1245 2.1266 2.1266 2.7338 2.7338 2.7487 2.7487 2.8869 2.8869 5.0898 5.0898 5.3575 5.3575 5.8368 5.8368 6.1760 6.1760 6.2933 6.2933 6.5501 6.5501 6.7111 6.7111 6.7132 6.7132 6.9006 6.9006 6.9878 6.9878 7.3641 7.3641 9.1700 9.1700 10.2909 10.2909 10.3604 10.3604 12.5898 12.5898 13.5839 13.5839 19.9810 19.9810 k = 0.4375-0.2526 0.3572 ( 3796 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1239 2.1239 2.1262 2.1262 2.7333 2.7333 2.7478 2.7478 2.8885 2.8885 5.1211 5.1211 5.3663 5.3663 5.8352 5.8352 6.1734 6.1734 6.2977 6.2977 6.5459 6.5459 6.7236 6.7236 6.7329 6.7329 6.9409 6.9409 6.9863 6.9863 7.3664 7.3664 9.0426 9.0426 10.2480 10.2480 10.3161 10.3161 12.5802 12.5802 13.5758 13.5758 20.1163 20.1163 k = 0.4479-0.2586 0.3657 ( 3796 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1234 2.1234 2.1259 2.1259 2.7328 2.7328 2.7471 2.7471 2.8899 2.8899 5.1451 5.1451 5.3766 5.3766 5.8339 5.8339 6.1706 6.1706 6.3015 6.3015 6.5422 6.5422 6.7335 6.7335 6.7518 6.7518 6.9820 6.9820 6.9850 6.9850 7.3689 7.3689 8.9272 8.9272 10.2111 10.2111 10.2781 10.2781 12.5721 12.5721 13.5690 13.5690 20.2481 20.2481 k = 0.4583-0.2646 0.3742 ( 3800 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1230 2.1230 2.1256 2.1256 2.7325 2.7325 2.7465 2.7465 2.8910 2.8910 5.1626 5.1626 5.3872 5.3872 5.8327 5.8327 6.1680 6.1680 6.3046 6.3046 6.5391 6.5391 6.7423 6.7423 6.7674 6.7674 6.9839 6.9839 7.0216 7.0216 7.3715 7.3715 8.8261 8.8261 10.1807 10.1807 10.2467 10.2467 12.5655 12.5655 13.5634 13.5634 20.3735 20.3735 k = 0.4688-0.2706 0.3827 ( 3804 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1227 2.1227 2.1254 2.1254 2.7322 2.7322 2.7460 2.7460 2.8919 2.8919 5.1747 5.1747 5.3970 5.3970 5.8319 5.8319 6.1657 6.1657 6.3073 6.3073 6.5368 6.5368 6.7495 6.7495 6.7795 6.7795 6.9831 6.9831 7.0571 7.0571 7.3740 7.3740 8.7422 8.7422 10.1568 10.1568 10.2219 10.2219 12.5604 12.5604 13.5591 13.5591 20.4878 20.4878 k = 0.4792-0.2766 0.3912 ( 3812 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1225 2.1225 2.1252 2.1252 2.7319 2.7319 2.7456 2.7456 2.8925 2.8925 5.1826 5.1826 5.4048 5.4048 5.8313 5.8313 6.1639 6.1639 6.3091 6.3091 6.5350 6.5350 6.7549 6.7549 6.7882 6.7882 6.9826 6.9826 7.0854 7.0854 7.3764 7.3764 8.6789 8.6789 10.1396 10.1396 10.2042 10.2042 12.5568 12.5568 13.5560 13.5560 20.5834 20.5834 k = 0.4896-0.2827 0.3997 ( 3812 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1223 2.1223 2.1252 2.1252 2.7318 2.7318 2.7454 2.7454 2.8929 2.8929 5.1870 5.1870 5.4099 5.4099 5.8309 5.8309 6.1628 6.1628 6.3101 6.3101 6.5339 6.5339 6.7582 6.7582 6.7935 6.7935 6.9822 6.9822 7.1037 7.1037 7.3782 7.3782 8.6393 8.6393 10.1292 10.1292 10.1934 10.1934 12.5546 12.5546 13.5542 13.5542 20.6494 20.6494 k = 0.5000-0.2887 0.4082 ( 3812 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1223 2.1223 2.1251 2.1251 2.7318 2.7318 2.7454 2.7454 2.8930 2.8930 5.1884 5.1884 5.4116 5.4116 5.8308 5.8308 6.1624 6.1624 6.3105 6.3105 6.5335 6.5335 6.7594 6.7594 6.7953 6.7953 6.9821 6.9821 7.1101 7.1101 7.3788 7.3788 8.6257 8.6257 10.1257 10.1257 10.1898 10.1898 12.5539 12.5539 13.5536 13.5536 20.6733 20.6733 k = 0.5000-0.2887 0.4082 ( 3812 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1223 2.1223 2.1251 2.1251 2.7318 2.7318 2.7454 2.7454 2.8930 2.8930 5.1884 5.1884 5.4116 5.4116 5.8308 5.8308 6.1624 6.1624 6.3105 6.3105 6.5335 6.5335 6.7594 6.7594 6.7953 6.7953 6.9821 6.9821 7.1101 7.1101 7.3788 7.3788 8.6257 8.6257 10.1257 10.1257 10.1898 10.1898 12.5539 12.5539 13.5536 13.5536 20.6733 20.6733 k = 0.5000-0.2766 0.4168 ( 3812 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1223 2.1223 2.1251 2.1251 2.7317 2.7317 2.7454 2.7454 2.8929 2.8929 5.1887 5.1887 5.4131 5.4131 5.8312 5.8312 6.1619 6.1619 6.3093 6.3093 6.5318 6.5318 6.7591 6.7591 6.7949 6.7949 6.9817 6.9817 7.1151 7.1151 7.3774 7.3774 8.6262 8.6262 10.1198 10.1198 10.1833 10.1833 12.5656 12.5656 13.5613 13.5613 20.6626 20.6626 k = 0.5000-0.2646 0.4253 ( 3810 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1224 2.1224 2.1252 2.1252 2.7317 2.7317 2.7457 2.7457 2.8926 2.8926 5.1896 5.1896 5.4174 5.4174 5.8325 5.8325 6.1603 6.1603 6.3057 6.3057 6.5272 6.5272 6.7585 6.7585 6.7940 6.7940 6.9807 6.9807 7.1294 7.1294 7.3734 7.3734 8.6277 8.6277 10.1021 10.1021 10.1640 10.1640 12.6002 12.6002 13.5844 13.5844 20.6257 20.6258 k = 0.5000-0.2526 0.4338 ( 3798 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1225 2.1225 2.1253 2.1253 2.7315 2.7315 2.7461 2.7461 2.8919 2.8919 5.1912 5.1912 5.4247 5.4247 5.8347 5.8347 6.1576 6.1576 6.2995 6.2995 6.5205 6.5205 6.7574 6.7574 6.7924 6.7924 6.9797 6.9797 7.1514 7.1514 7.3670 7.3670 8.6301 8.6301 10.0731 10.0731 10.1334 10.1334 12.6564 12.6564 13.6224 13.6224 20.5530 20.5530 k = 0.5000-0.2406 0.4423 ( 3794 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1227 2.1227 2.1255 2.1255 2.7312 2.7312 2.7467 2.7467 2.8911 2.8911 5.1933 5.1933 5.4348 5.4348 5.8377 5.8377 6.1539 6.1539 6.2904 6.2904 6.5129 6.5129 6.7558 6.7558 6.7901 6.7901 6.9790 6.9790 7.1790 7.1790 7.3589 7.3589 8.6335 8.6335 10.0335 10.0335 10.0933 10.0933 12.7324 12.7324 13.6746 13.6746 20.4401 20.4401 k = 0.5000-0.2285 0.4508 ( 3790 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1229 2.1229 2.1257 2.1257 2.7309 2.7309 2.7476 2.7476 2.8900 2.8900 5.1961 5.1961 5.4475 5.4475 5.8416 5.8416 6.1491 6.1491 6.2786 6.2786 6.5058 6.5058 6.7538 6.7538 6.7872 6.7872 6.9789 6.9789 7.2090 7.2090 7.3512 7.3512 8.6379 8.6379 9.9846 9.9846 10.0453 10.0453 12.8259 12.8259 13.7402 13.7402 20.2925 20.2925 k = 0.5000-0.2165 0.4593 ( 3794 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1232 2.1232 2.1259 2.1259 2.7303 2.7303 2.7487 2.7487 2.8887 2.8887 5.1994 5.1994 5.4629 5.4629 5.8462 5.8462 6.1434 6.1434 6.2640 6.2640 6.4998 6.4998 6.7513 6.7513 6.7835 6.7835 6.9791 6.9791 7.2348 7.2348 7.3495 7.3495 8.6432 8.6432 9.9282 9.9282 9.9908 9.9908 12.9347 12.9347 13.8181 13.8181 20.1194 20.1194 k = 0.5000-0.2045 0.4678 ( 3792 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1235 2.1235 2.1261 2.1261 2.7297 2.7297 2.7500 2.7500 2.8871 2.8871 5.2032 5.2032 5.4808 5.4808 5.8516 5.8516 6.1366 6.1366 6.2473 6.2473 6.4957 6.4957 6.7484 6.7484 6.7792 6.7792 6.9797 6.9797 7.2457 7.2457 7.3638 7.3638 8.6495 8.6495 9.8664 9.8664 9.9307 9.9307 13.0569 13.0569 13.9076 13.9076 19.9292 19.9292 k = 0.5000-0.1925 0.4763 ( 3796 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1238 2.1238 2.1264 2.1264 2.7289 2.7289 2.7516 2.7516 2.8854 2.8854 5.2076 5.2076 5.5008 5.5008 5.8576 5.8576 6.1290 6.1290 6.2292 6.2292 6.4933 6.4933 6.7451 6.7451 6.7742 6.7742 6.9804 6.9804 7.2380 7.2380 7.3973 7.3973 8.6569 8.6569 9.8011 9.8011 9.8657 9.8657 13.1907 13.1907 14.0075 14.0075 19.7279 19.7280 k = 0.5000-0.1804 0.4848 ( 3788 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1241 2.1241 2.1267 2.1267 2.7280 2.7280 2.7535 2.7535 2.8834 2.8834 5.2125 5.2125 5.5230 5.5230 5.8641 5.8641 6.1204 6.1204 6.2107 6.2107 6.4927 6.4927 6.7416 6.7416 6.7687 6.7687 6.9811 6.9811 7.2191 7.2191 7.4425 7.4425 8.6654 8.6654 9.7339 9.7339 9.7968 9.7968 13.3345 13.3345 14.1170 14.1170 19.5189 19.5189 k = 0.5000-0.1684 0.4933 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1245 2.1245 2.1270 2.1270 2.7270 2.7270 2.7556 2.7556 2.8813 2.8813 5.2179 5.2179 5.5468 5.5468 5.8709 5.8709 6.1108 6.1108 6.1927 6.1927 6.4936 6.4936 6.7378 6.7378 6.7624 6.7624 6.9813 6.9813 7.1943 7.1943 7.4940 7.4940 8.6749 8.6749 9.6662 9.6662 9.7245 9.7245 13.4871 13.4871 14.2352 14.2352 19.3041 19.3041 k = 0.5000-0.1564 0.5018 ( 3794 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1249 2.1249 2.1274 2.1274 2.7260 2.7260 2.7578 2.7578 2.8790 2.8790 5.2237 5.2237 5.5721 5.5721 5.8776 5.8776 6.1003 6.1003 6.1763 6.1763 6.4956 6.4956 6.7337 6.7337 6.7553 6.7553 6.9808 6.9808 7.1662 7.1662 7.5492 7.5492 8.6855 8.6855 9.5989 9.5989 9.6497 9.6497 13.6475 13.6475 14.3613 14.3613 19.0848 19.0848 k = 0.5000-0.1443 0.5103 ( 3794 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1253 2.1253 2.1277 2.1277 2.7249 2.7249 2.7603 2.7603 2.8766 2.8766 5.2298 5.2298 5.5985 5.5985 5.8837 5.8837 6.0894 6.0894 6.1626 6.1626 6.4986 6.4986 6.7294 6.7294 6.7474 6.7474 6.9789 6.9789 7.1367 7.1367 7.6072 7.6072 8.6973 8.6973 9.5327 9.5327 9.5732 9.5732 13.8147 13.8147 14.4946 14.4946 18.8623 18.8623 k = 0.5000-0.1323 0.5188 ( 3790 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1257 2.1257 2.1280 2.1280 2.7238 2.7238 2.7628 2.7628 2.8740 2.8740 5.2362 5.2362 5.6256 5.6256 5.8888 5.8888 6.0784 6.0784 6.1524 6.1524 6.5024 6.5024 6.7246 6.7246 6.7385 6.7385 6.9747 6.9747 7.1075 7.1075 7.6673 7.6673 8.7102 8.7102 9.4677 9.4677 9.4960 9.4960 13.9880 13.9880 14.6345 14.6345 18.6375 18.6375 k = 0.5000-0.1203 0.5273 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1261 2.1261 2.1283 2.1283 2.7227 2.7227 2.7655 2.7655 2.8714 2.8714 5.2427 5.2427 5.6528 5.6528 5.8917 5.8917 6.0680 6.0680 6.1465 6.1465 6.5066 6.5066 6.7191 6.7191 6.7288 6.7288 6.9664 6.9664 7.0814 7.0814 7.7289 7.7289 8.7243 8.7243 9.4022 9.4022 9.4210 9.4210 14.1669 14.1669 14.7805 14.7805 18.4113 18.4113 k = 0.5000-0.1083 0.5358 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1265 2.1265 2.1286 2.1286 2.7216 2.7216 2.7682 2.7682 2.8687 2.8687 5.2493 5.2493 5.6796 5.6796 5.8920 5.8920 6.0586 6.0586 6.1460 6.1460 6.5111 6.5111 6.7103 6.7103 6.7203 6.7203 6.9524 6.9524 7.0609 7.0609 7.7917 7.7917 8.7397 8.7397 9.3301 9.3301 9.3552 9.3552 14.3508 14.3508 14.9319 14.9319 18.1844 18.1844 k = 0.5000-0.0962 0.5443 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1268 2.1268 2.1289 2.1289 2.7206 2.7206 2.7710 2.7710 2.8660 2.8660 5.2558 5.2558 5.7056 5.7056 5.8893 5.8893 6.0500 6.0500 6.1520 6.1520 6.5156 6.5156 6.6960 6.6960 6.7144 6.7144 6.9325 6.9325 7.0474 7.0474 7.8552 7.8552 8.7564 8.7564 9.2535 9.2535 9.2974 9.2974 14.5392 14.5392 15.0885 15.0885 17.9573 17.9573 k = 0.5000-0.0842 0.5528 ( 3788 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1272 2.1272 2.1291 2.1291 2.7197 2.7197 2.7737 2.7737 2.8633 2.8633 5.2621 5.2621 5.7301 5.7301 5.8839 5.8839 6.0417 6.0417 6.1650 6.1650 6.5199 6.5199 6.6770 6.6770 6.7097 6.7097 6.9094 6.9094 7.0395 7.0395 7.9189 7.9189 8.7744 8.7744 9.1768 9.1768 9.2439 9.2439 14.7319 14.7319 15.2499 15.2499 17.7304 17.7304 k = 0.5000-0.0722 0.5613 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1275 2.1275 2.1293 2.1293 2.7188 2.7188 2.7763 2.7763 2.8608 2.8608 5.2680 5.2680 5.7528 5.7528 5.8768 5.8768 6.0336 6.0336 6.1851 6.1851 6.5236 6.5236 6.6533 6.6533 6.7055 6.7055 6.8866 6.8866 7.0353 7.0353 7.9822 7.9822 8.7938 8.7938 9.1019 9.1019 9.1938 9.1938 14.9284 14.9284 15.4157 15.4157 17.5042 17.5042 k = 0.5000-0.0601 0.5698 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1278 2.1278 2.1295 2.1295 2.7181 2.7181 2.7787 2.7787 2.8584 2.8584 5.2734 5.2734 5.7733 5.7733 5.8689 5.8689 6.0255 6.0255 6.2113 6.2113 6.5260 6.5260 6.6254 6.6254 6.7017 6.7017 6.8665 6.8665 7.0330 7.0330 8.0439 8.0439 8.8143 8.8143 9.0304 9.0304 9.1469 9.1469 15.1286 15.1286 15.5855 15.5855 17.2789 17.2789 k = 0.5000-0.0481 0.5784 ( 3784 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1281 2.1281 2.1297 2.1297 2.7175 2.7175 2.7809 2.7809 2.8562 2.8562 5.2781 5.2781 5.7912 5.7912 5.8609 5.8609 6.0178 6.0178 6.2429 6.2429 6.5251 6.5251 6.5954 6.5954 6.6983 6.6983 6.8505 6.8505 7.0317 7.0317 8.1027 8.1027 8.8352 8.8352 8.9649 8.9649 9.1030 9.1030 15.3320 15.3320 15.7590 15.7590 17.0549 17.0549 k = 0.5000-0.0361 0.5869 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1283 2.1283 2.1298 2.1298 2.7170 2.7170 2.7827 2.7827 2.8544 2.8544 5.2820 5.2820 5.8063 5.8063 5.8536 5.8536 6.0109 6.0109 6.2785 6.2785 6.5150 6.5150 6.5701 6.5701 6.6956 6.6956 6.8386 6.8386 7.0311 7.0311 8.1562 8.1562 8.8517 8.8517 8.9127 8.9127 9.0620 9.0620 15.5385 15.5385 15.9358 15.9358 16.8324 16.8324 k = 0.5000-0.0241 0.5954 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1284 2.1284 2.1298 2.1298 2.7166 2.7166 2.7841 2.7841 2.8531 2.8531 5.2848 5.2848 5.8185 5.8185 5.8471 5.8471 6.0054 6.0054 6.3171 6.3171 6.4881 6.4881 6.5584 6.5584 6.6935 6.6935 6.8305 6.8305 7.0308 7.0308 8.2006 8.2006 8.8376 8.8376 8.9039 8.9039 9.0239 9.0239 15.7479 15.7479 16.1151 16.1151 16.6118 16.6118 k = 0.5000-0.0120 0.6039 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1285 2.1285 2.1299 2.1299 2.7164 2.7164 2.7850 2.7850 2.8522 2.8522 5.2866 5.2866 5.8276 5.8276 5.8414 5.8414 6.0018 6.0018 6.3561 6.3561 6.4521 6.4521 6.5552 6.5552 6.6922 6.6922 6.8259 6.8259 7.0307 7.0307 8.2310 8.2310 8.8099 8.8099 8.9266 8.9266 8.9885 8.9885 15.9599 15.9599 16.2916 16.2916 16.3958 16.3958 k = 0.5000 0.0000 0.6124 ( 3736 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2381 -31.2381 -31.2380 -31.2380 2.1286 2.1286 2.1299 2.1299 2.7163 2.7163 2.7853 2.7853 2.8520 2.8520 5.2873 5.2873 5.8330 5.8330 5.8376 5.8376 6.0007 6.0007 6.3822 6.3822 6.4270 6.4270 6.5548 6.5548 6.6919 6.6919 6.8246 6.8246 7.0309 7.0309 8.2421 8.2421 8.7989 8.7989 8.9547 8.9547 8.9573 8.9573 16.1734 16.1734 16.1742 16.1742 16.4318 16.4318 k = 0.5000 0.0000 0.6124 ( 3736 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2381 -31.2381 -31.2380 -31.2380 2.1286 2.1286 2.1299 2.1299 2.7163 2.7163 2.7853 2.7853 2.8520 2.8520 5.2873 5.2873 5.8330 5.8330 5.8376 5.8376 6.0007 6.0007 6.3822 6.3822 6.4270 6.4270 6.5548 6.5548 6.6919 6.6919 6.8246 6.8246 7.0309 7.0309 8.2421 8.2421 8.7989 8.7989 8.9547 8.9547 8.9573 8.9573 16.1734 16.1734 16.1742 16.1742 16.4318 16.4318 k = 0.4926 0.0127 0.6124 ( 3778 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1285 2.1285 2.1299 2.1299 2.7164 2.7164 2.7852 2.7852 2.8520 2.8520 5.2866 5.2866 5.8295 5.8295 5.8405 5.8405 6.0012 6.0012 6.3667 6.3667 6.4417 6.4417 6.5548 6.5548 6.6916 6.6916 6.8251 6.8251 7.0305 7.0305 8.2327 8.2327 8.7722 8.7722 8.9325 8.9325 9.0210 9.0210 15.9951 15.9951 16.3219 16.3219 16.3805 16.3805 k = 0.4853 0.0255 0.6124 ( 3790 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1284 2.1284 2.1300 2.1300 2.7166 2.7166 2.7848 2.7848 2.8523 2.8523 5.2850 5.2850 5.8243 5.8243 5.8448 5.8448 6.0032 6.0032 6.3400 6.3400 6.4663 6.4663 6.5555 6.5555 6.6913 6.6913 6.8273 6.8273 7.0299 7.0299 8.2108 8.2108 8.7199 8.7199 8.9126 8.9126 9.1319 9.1319 15.7835 15.7835 16.3117 16.3117 16.4872 16.4872 k = 0.4779 0.0382 0.6124 ( 3790 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1283 2.1283 2.1301 2.1301 2.7170 2.7170 2.7841 2.7841 2.8528 2.8528 5.2824 5.2824 5.8188 5.8188 5.8494 5.8494 6.0061 6.0061 6.3123 6.3123 6.4889 6.4889 6.5581 6.5581 6.6912 6.6912 6.8311 6.8311 7.0289 7.0289 8.1828 8.1828 8.6624 8.6624 8.8952 8.8952 9.2623 9.2623 15.5606 15.5606 16.2655 16.2655 16.6451 16.6451 k = 0.4706 0.0509 0.6124 ( 3787 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1281 2.1281 2.1303 2.1303 2.7175 2.7175 2.7832 2.7832 2.8535 2.8535 5.2791 5.2791 5.8129 5.8129 5.8547 5.8547 6.0097 6.0097 6.2855 6.2855 6.5043 6.5043 6.5657 6.5657 6.6917 6.6917 6.8364 6.8364 7.0277 7.0277 8.1522 8.1522 8.6049 8.6049 8.8799 8.8799 9.4033 9.4033 15.3351 15.3351 16.2258 16.2258 16.8063 16.8063 k = 0.4632 0.0637 0.6124 ( 3785 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1279 2.1279 2.1304 2.1304 2.7181 2.7181 2.7821 2.7821 2.8543 2.8543 5.2751 5.2751 5.8065 5.8065 5.8607 5.8607 6.0139 6.0139 6.2603 6.2603 6.5095 6.5095 6.5797 6.5797 6.6930 6.6930 6.8434 6.8434 7.0263 7.0263 8.1212 8.1212 8.5489 8.5489 8.8665 8.8665 9.5509 9.5509 15.1107 15.1107 16.1910 16.1910 16.9700 16.9700 k = 0.4559 0.0764 0.6124 ( 3789 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1277 2.1277 2.1306 2.1306 2.7188 2.7188 2.7808 2.7808 2.8552 2.8552 5.2708 5.2708 5.7998 5.7998 5.8673 5.8673 6.0184 6.0184 6.2371 6.2371 6.5072 6.5072 6.5967 6.5967 6.6958 6.6958 6.8519 6.8519 7.0248 7.0248 8.0909 8.0909 8.4953 8.4953 8.8547 8.8547 9.7027 9.7027 14.8891 14.8891 16.1600 16.1600 17.1361 17.1361 k = 0.4485 0.0891 0.6124 ( 3790 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1275 2.1275 2.1307 2.1307 2.7197 2.7197 2.7794 2.7794 2.8561 2.8561 5.2662 5.2662 5.7930 5.7930 5.8742 5.8742 6.0233 6.0233 6.2163 6.2163 6.5004 6.5004 6.6127 6.6127 6.7006 6.7006 6.8620 6.8620 7.0234 7.0234 8.0619 8.0619 8.4446 8.4446 8.8444 8.8444 9.8570 9.8570 14.6718 14.6718 16.1323 16.1323 17.3044 17.3044 k = 0.4412 0.1019 0.6124 ( 3789 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1273 2.1273 2.1308 2.1308 2.7206 2.7206 2.7778 2.7778 2.8571 2.8571 5.2615 5.2615 5.7862 5.7862 5.8811 5.8811 6.0285 6.0285 6.1979 6.1979 6.4910 6.4910 6.6254 6.6254 6.7078 6.7078 6.8733 6.8733 7.0224 7.0224 8.0345 8.0345 8.3973 8.3973 8.8355 8.8355 10.0122 10.0122 14.4601 14.4601 16.1076 16.1076 17.4747 17.4747 k = 0.4338 0.1146 0.6124 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1271 2.1271 2.1310 2.1310 2.7216 2.7216 2.7763 2.7763 2.8581 2.8581 5.2569 5.2569 5.7795 5.7795 5.8877 5.8877 6.0340 6.0340 6.1821 6.1821 6.4799 6.4799 6.6344 6.6344 6.7168 6.7168 6.8852 6.8852 7.0222 7.0222 8.0090 8.0090 8.3536 8.3536 8.8278 8.8278 10.1667 10.1667 14.2554 14.2554 16.0857 16.0857 17.6467 17.6467 k = 0.4265 0.1274 0.6124 ( 3787 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1269 2.1269 2.1311 2.1311 2.7226 2.7226 2.7747 2.7747 2.8591 2.8591 5.2525 5.2525 5.7733 5.7733 5.8936 5.8936 6.0401 6.0401 6.1690 6.1690 6.4678 6.4678 6.6403 6.6403 6.7267 6.7267 6.8971 6.8971 7.0232 7.0232 7.9856 7.9856 8.3142 8.3142 8.8213 8.8213 10.3186 10.3186 14.0595 14.0595 16.0666 16.0666 17.8203 17.8203 k = 0.4191 0.1401 0.6124 ( 3789 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1268 2.1268 2.1312 2.1312 2.7237 2.7237 2.7732 2.7732 2.8600 2.8600 5.2485 5.2485 5.7675 5.7675 5.8986 5.8986 6.0465 6.0465 6.1582 6.1582 6.4552 6.4552 6.6440 6.6440 6.7365 6.7365 6.9079 6.9079 7.0255 7.0255 7.9644 7.9644 8.2793 8.2793 8.8158 8.8158 10.4656 10.4656 13.8745 13.8745 16.0501 16.0501 17.9951 17.9951 k = 0.4118 0.1528 0.6124 ( 3797 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1266 2.1266 2.1313 2.1313 2.7246 2.7246 2.7717 2.7717 2.8607 2.8607 5.2449 5.2449 5.7622 5.7622 5.9024 5.9024 6.0533 6.0533 6.1497 6.1497 6.4429 6.4429 6.6464 6.6464 6.7455 6.7455 6.9169 6.9169 7.0295 7.0295 7.9455 7.9455 8.2493 8.2493 8.8113 8.8113 10.6045 10.6045 13.7035 13.7035 16.0362 16.0362 18.1704 18.1704 k = 0.4044 0.1656 0.6124 ( 3792 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1265 2.1265 2.1313 2.1313 2.7256 2.7256 2.7704 2.7704 2.8614 2.8614 5.2418 5.2418 5.7578 5.7578 5.9052 5.9052 6.0600 6.0600 6.1433 6.1433 6.4314 6.4314 6.6479 6.6479 6.7532 6.7532 6.9237 6.9237 7.0347 7.0347 7.9292 7.9292 8.2244 8.2244 8.8077 8.8077 10.7314 10.7314 13.5505 13.5505 16.0249 16.0249 18.3455 18.3455 k = 0.3971 0.1783 0.6124 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1264 2.1264 2.1314 2.1314 2.7263 2.7263 2.7694 2.7694 2.8620 2.8620 5.2394 5.2394 5.7542 5.7542 5.9072 5.9072 6.0661 6.0661 6.1386 6.1386 6.4215 6.4215 6.6489 6.6489 6.7594 6.7594 6.9283 6.9283 7.0403 7.0403 7.9160 7.9160 8.2049 8.2049 8.8049 8.8049 10.8409 10.8409 13.4208 13.4208 16.0162 16.0162 18.5183 18.5183 k = 0.3897 0.1910 0.6124 ( 3797 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1263 2.1263 2.1314 2.1314 2.7269 2.7269 2.7686 2.7686 2.8624 2.8624 5.2375 5.2375 5.7516 5.7516 5.9083 5.9083 6.0711 6.0711 6.1353 6.1353 6.4137 6.4137 6.6494 6.6494 6.7638 6.7638 6.9310 6.9310 7.0452 7.0452 7.9062 7.9062 8.1909 8.1909 8.8030 8.8030 10.9265 10.9265 13.3207 13.3207 16.0099 16.0099 18.6817 18.6817 k = 0.3824 0.2038 0.6124 ( 3795 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1263 2.1263 2.1314 2.1314 2.7273 2.7273 2.7680 2.7680 2.8626 2.8626 5.2365 5.2365 5.7500 5.7500 5.9089 5.9089 6.0744 6.0744 6.1334 6.1334 6.4088 6.4088 6.6497 6.6497 6.7665 6.7665 6.9325 6.9325 7.0487 7.0487 7.9001 7.9001 8.1825 8.1825 8.8018 8.8018 10.9816 10.9816 13.2569 13.2569 16.0061 16.0061 18.8024 18.8024 k = 0.3750 0.2165 0.6124 ( 3799 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1262 2.1262 2.1315 2.1315 2.7274 2.7274 2.7679 2.7679 2.8627 2.8627 5.2361 5.2361 5.7494 5.7494 5.9091 5.9091 6.0756 6.0756 6.1328 6.1328 6.4071 6.4071 6.6498 6.6498 6.7674 6.7674 6.9329 6.9329 7.0499 7.0499 7.8980 7.8980 8.1797 8.1797 8.8015 8.8015 11.0007 11.0007 13.2349 13.2349 16.0049 16.0049 18.8485 18.8485 k = 0.3750 0.2165 0.6124 ( 3799 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1262 2.1262 2.1315 2.1315 2.7274 2.7274 2.7679 2.7679 2.8627 2.8627 5.2361 5.2361 5.7494 5.7494 5.9091 5.9091 6.0756 6.0756 6.1328 6.1328 6.4071 6.4071 6.6498 6.6498 6.7674 6.7674 6.9329 6.9329 7.0499 7.0499 7.8980 7.8980 8.1797 8.1797 8.8015 8.8015 11.0007 11.0007 13.2349 13.2349 16.0049 16.0049 18.8485 18.8485 k = 0.3676 0.2123 0.6004 ( 3789 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1266 2.1266 2.1320 2.1320 2.7274 2.7274 2.7703 2.7703 2.8596 2.8596 5.2352 5.2352 5.7775 5.7775 5.9118 5.9118 6.0683 6.0683 6.1352 6.1352 6.4010 6.4010 6.6365 6.6365 6.7636 6.7636 6.9214 6.9214 7.0334 7.0334 7.8355 7.8355 8.1869 8.1869 8.8276 8.8276 11.0900 11.0900 13.2658 13.2658 16.2421 16.2421 18.7286 18.7286 k = 0.3603 0.2080 0.5884 ( 3793 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1269 2.1269 2.1326 2.1326 2.7274 2.7274 2.7729 2.7729 2.8565 2.8565 5.2324 5.2324 5.8037 5.8037 5.9142 5.9142 6.0571 6.0571 6.1450 6.1450 6.3951 6.3951 6.6221 6.6221 6.7587 6.7587 6.9089 6.9089 7.0196 7.0196 7.7301 7.7301 8.2444 8.2444 8.8563 8.8563 11.1823 11.1823 13.2978 13.2978 16.4818 16.4818 18.6107 18.6107 k = 0.3529 0.2038 0.5764 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1272 2.1272 2.1332 2.1332 2.7276 2.7276 2.7754 2.7754 2.8534 2.8534 5.2274 5.2274 5.8274 5.8274 5.9167 5.9167 6.0432 6.0432 6.1607 6.1607 6.3892 6.3892 6.6065 6.6065 6.7525 6.7525 6.8961 6.8961 7.0085 7.0085 7.6145 7.6145 8.3203 8.3203 8.8878 8.8878 11.2774 11.2774 13.3309 13.3309 16.7230 16.7230 18.4948 18.4948 k = 0.3456 0.1995 0.5643 ( 3787 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1275 2.1275 2.1337 2.1337 2.7278 2.7278 2.7780 2.7780 2.8502 2.8502 5.2199 5.2199 5.8480 5.8480 5.9197 5.9197 6.0277 6.0277 6.1811 6.1811 6.3834 6.3834 6.5895 6.5895 6.7450 6.7450 6.8842 6.8842 6.9995 6.9995 7.4997 7.4997 8.4043 8.4043 8.9223 8.9223 11.3753 11.3753 13.3655 13.3655 16.9645 16.9645 18.3808 18.3808 k = 0.3382 0.1953 0.5523 ( 3769 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1279 2.1279 2.1342 2.1342 2.7281 2.7281 2.7806 2.7806 2.8471 2.8471 5.2096 5.2096 5.8650 5.8650 5.9234 5.9234 6.0112 6.0112 6.2051 6.2051 6.3774 6.3774 6.5709 6.5709 6.7363 6.7363 6.8739 6.8739 6.9923 6.9923 7.3899 7.3899 8.4933 8.4933 8.9599 8.9599 11.4758 11.4758 13.4016 13.4016 17.2039 17.2039 18.2689 18.2689 k = 0.3309 0.1910 0.5403 ( 3765 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1282 2.1282 2.1347 2.1347 2.7285 2.7285 2.7832 2.7832 2.8440 2.8440 5.1959 5.1959 5.8781 5.8781 5.9277 5.9277 5.9944 5.9944 6.2318 6.2318 6.3711 6.3711 6.5504 6.5504 6.7266 6.7266 6.8656 6.8656 6.9866 6.9866 7.2872 7.2872 8.5860 8.5860 9.0010 9.0010 11.5788 11.5788 13.4393 13.4393 17.4365 17.4365 18.1590 18.1590 k = 0.3235 0.1868 0.5283 ( 3777 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1285 2.1285 2.1351 2.1351 2.7290 2.7290 2.7857 2.7857 2.8408 2.8408 5.1784 5.1784 5.8864 5.8864 5.9320 5.9320 5.9786 5.9786 6.2603 6.2603 6.3642 6.3642 6.5279 6.5279 6.7163 6.7163 6.8596 6.8596 6.9821 6.9821 7.1932 7.1932 8.6817 8.6817 9.0455 9.0455 11.6841 11.6841 13.4788 13.4788 17.6501 17.6501 18.0518 18.0518 k = 0.3162 0.1825 0.5163 ( 3781 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1289 2.1289 2.1355 2.1355 2.7295 2.7295 2.7882 2.7882 2.8377 2.8377 5.1567 5.1567 5.8887 5.8887 5.9354 5.9354 5.9661 5.9661 6.2898 6.2898 6.3564 6.3564 6.5041 6.5041 6.7060 6.7060 6.8559 6.8559 6.9787 6.9787 7.1092 7.1092 8.7803 8.7803 9.0938 9.0938 11.7916 11.7916 13.5202 13.5202 17.8062 17.8062 17.9489 17.9489 k = 0.3088 0.1783 0.5043 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1292 2.1292 2.1359 2.1359 2.7302 2.7302 2.7906 2.7906 2.8347 2.8347 5.1304 5.1304 5.8823 5.8823 5.9383 5.9383 5.9592 5.9592 6.3190 6.3190 6.3469 6.3469 6.4801 6.4801 6.6961 6.6961 6.8544 6.8544 6.9760 6.9760 7.0363 7.0363 8.8814 8.8814 9.1461 9.1461 11.9013 11.9013 13.5635 13.5635 17.8147 17.8147 17.8574 17.8574 k = 0.3015 0.1741 0.4923 ( 3787 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1296 2.1296 2.1363 2.1363 2.7309 2.7309 2.7929 2.7929 2.8317 2.8317 5.0991 5.0991 5.8673 5.8673 5.9418 5.9418 5.9569 5.9569 6.3349 6.3349 6.3463 6.3463 6.4587 6.4587 6.6866 6.6866 6.8551 6.8551 6.9659 6.9659 6.9833 6.9833 8.9850 8.9850 9.2024 9.2024 12.0130 12.0130 13.6089 13.6089 17.7246 17.7246 17.7640 17.7640 k = 0.2941 0.1698 0.4803 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1300 2.1300 2.1366 2.1366 2.7317 2.7317 2.7950 2.7950 2.8288 2.8288 5.0623 5.0623 5.8467 5.8467 5.9457 5.9457 5.9567 5.9567 6.3202 6.3202 6.3655 6.3655 6.4462 6.4462 6.6775 6.6775 6.8576 6.8576 6.9204 6.9204 6.9779 6.9779 9.0909 9.0909 9.2632 9.2632 12.1267 12.1267 13.6564 13.6564 17.6221 17.6221 17.6641 17.6641 k = 0.2868 0.1656 0.4683 ( 3777 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1303 2.1303 2.1369 2.1369 2.7326 2.7326 2.7971 2.7971 2.8260 2.8260 5.0199 5.0199 5.8233 5.8233 5.9470 5.9470 5.9590 5.9590 6.3021 6.3021 6.3688 6.3688 6.4520 6.4520 6.6688 6.6688 6.8594 6.8594 6.8833 6.8833 6.9787 6.9787 9.1990 9.1990 9.3286 9.3286 12.2423 12.2423 13.7061 13.7061 17.5142 17.5142 17.5645 17.5645 k = 0.2794 0.1613 0.4563 ( 3781 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1307 2.1307 2.1371 2.1371 2.7336 2.7336 2.7990 2.7990 2.8233 2.8233 4.9717 4.9717 5.7986 5.7986 5.9443 5.9443 5.9639 5.9639 6.2811 6.2811 6.3592 6.3592 6.4727 6.4727 6.6602 6.6602 6.8423 6.8423 6.8764 6.8764 6.9810 6.9810 9.3087 9.3087 9.3992 9.3992 12.3597 12.3597 13.7580 13.7580 17.4008 17.4008 17.4676 17.4676 k = 0.2721 0.1571 0.4443 ( 3779 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1311 2.1311 2.1374 2.1374 2.7346 2.7346 2.8007 2.8007 2.8207 2.8207 4.9178 4.9178 5.7738 5.7738 5.9390 5.9390 5.9696 5.9696 6.2589 6.2589 6.3456 6.3456 6.4988 6.4988 6.6521 6.6521 6.8197 6.8197 6.8851 6.8851 6.9846 6.9846 9.4187 9.4187 9.4764 9.4764 12.4788 12.4788 13.8123 13.8123 17.2836 17.2836 17.3733 17.3733 k = 0.2647 0.1528 0.4323 ( 3779 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1315 2.1315 2.1376 2.1376 2.7357 2.7357 2.8022 2.8022 2.8182 2.8182 4.8586 4.8586 5.7498 5.7498 5.9317 5.9317 5.9749 5.9749 6.2368 6.2368 6.3307 6.3307 6.5261 6.5261 6.6447 6.6447 6.8027 6.8027 6.8969 6.8969 6.9895 6.9895 9.5241 9.5241 9.5652 9.5652 12.5995 12.5995 13.8689 13.8689 17.1648 17.1648 17.2791 17.2791 k = 0.2574 0.1486 0.4203 ( 3783 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1318 2.1318 2.1377 2.1377 2.7368 2.7368 2.8034 2.8034 2.8160 2.8160 4.7946 4.7946 5.7269 5.7269 5.9227 5.9227 5.9794 5.9794 6.2159 6.2159 6.3151 6.3151 6.5531 6.5531 6.6388 6.6388 6.7907 6.7907 6.9105 6.9105 6.9958 6.9958 9.6191 9.6191 9.6716 9.6716 12.7218 12.7218 13.9280 13.9280 17.0457 17.0457 17.1812 17.1812 k = 0.2500 0.1443 0.4082 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1322 2.1322 2.1379 2.1379 2.7380 2.7380 2.8043 2.8043 2.8141 2.8141 4.7266 4.7266 5.7057 5.7057 5.9123 5.9123 5.9829 5.9829 6.1966 6.1966 6.2989 6.2989 6.5783 6.5783 6.6359 6.6359 6.7832 6.7832 6.9251 6.9251 7.0037 7.0037 9.7108 9.7108 9.7885 9.7885 12.8456 12.8456 13.9896 13.9896 16.9273 16.9273 17.0767 17.0767 k = 0.2426 0.1401 0.3962 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1326 2.1326 2.1380 2.1380 2.7392 2.7392 2.8046 2.8046 2.8125 2.8125 4.6552 4.6552 5.6862 5.6862 5.9006 5.9006 5.9853 5.9853 6.1791 6.1791 6.2818 6.2818 6.5983 6.5983 6.6392 6.6392 6.7792 6.7792 6.9399 6.9399 7.0135 7.0135 9.8049 9.8049 9.9099 9.9099 12.9708 12.9708 14.0536 14.0536 16.8101 16.8101 16.9677 16.9677 k = 0.2353 0.1358 0.3842 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1330 2.1330 2.1381 2.1381 2.7405 2.7405 2.8044 2.8044 2.8115 2.8115 4.5812 4.5812 5.6685 5.6685 5.8878 5.8878 5.9866 5.9866 6.1630 6.1630 6.2641 6.2641 6.6089 6.6089 6.6531 6.6531 6.7785 6.7785 6.9543 6.9543 7.0254 7.0254 9.9031 9.9031 10.0345 10.0345 13.0972 13.0972 14.1202 14.1202 16.6945 16.6945 16.8574 16.8574 k = 0.2279 0.1316 0.3722 ( 3769 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1333 2.1333 2.1382 2.1382 2.7418 2.7418 2.8035 2.8035 2.8111 2.8111 4.5055 4.5055 5.6526 5.6526 5.8741 5.8741 5.9868 5.9868 6.1482 6.1482 6.2458 6.2458 6.6138 6.6138 6.6736 6.6736 6.7809 6.7809 6.9679 6.9679 7.0393 7.0393 10.0057 10.0057 10.1618 10.1618 13.2249 13.2249 14.1894 14.1894 16.5807 16.5807 16.7478 16.7478 k = 0.2206 0.1274 0.3602 ( 3769 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1337 2.1337 2.1383 2.1383 2.7431 2.7431 2.8023 2.8023 2.8110 2.8110 4.4287 4.4287 5.6383 5.6383 5.8596 5.8596 5.9860 5.9860 6.1341 6.1341 6.2271 6.2271 6.6178 6.6178 6.6950 6.6950 6.7868 6.7868 6.9805 6.9805 7.0551 7.0551 10.1128 10.1128 10.2916 10.2916 13.3537 13.3537 14.2612 14.2612 16.4688 16.4688 16.6399 16.6399 k = 0.2132 0.1231 0.3482 ( 3779 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1340 2.1340 2.1383 2.1383 2.7444 2.7444 2.8008 2.8008 2.8109 2.8109 4.3513 4.3513 5.6254 5.6254 5.8445 5.8445 5.9844 5.9844 6.1203 6.1203 6.2081 6.2081 6.6229 6.6229 6.7145 6.7145 6.7968 6.7968 6.9922 6.9922 7.0722 7.0722 10.2245 10.2245 10.4238 10.4238 13.4835 13.4835 14.3354 14.3354 16.3590 16.3590 16.5343 16.5343 k = 0.2059 0.1189 0.3362 ( 3779 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1343 2.1343 2.1384 2.1384 2.7458 2.7458 2.7994 2.7994 2.8108 2.8108 4.2741 4.2741 5.6140 5.6140 5.8291 5.8291 5.9822 5.9822 6.1065 6.1065 6.1892 6.1892 6.6295 6.6295 6.7308 6.7308 6.8114 6.8114 7.0034 7.0034 7.0902 7.0902 10.3408 10.3408 10.5584 10.5584 13.6143 13.6143 14.4123 14.4123 16.2514 16.2514 16.4314 16.4314 k = 0.1985 0.1146 0.3242 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1346 2.1346 2.1384 2.1384 2.7471 2.7471 2.7980 2.7980 2.8106 2.8106 4.1975 4.1975 5.6038 5.6038 5.8133 5.8133 5.9796 5.9796 6.0923 6.0923 6.1707 6.1707 6.6375 6.6375 6.7439 6.7439 6.8302 6.8302 7.0144 7.0144 7.1086 7.1086 10.4617 10.4617 10.6954 10.6954 13.7458 13.7458 14.4917 14.4917 16.1462 16.1462 16.3315 16.3315 k = 0.1912 0.1104 0.3122 ( 3779 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1349 2.1349 2.1384 2.1384 2.7485 2.7485 2.7967 2.7967 2.8102 2.8102 4.1218 4.1218 5.5946 5.5946 5.7972 5.7972 5.9767 5.9767 6.0775 6.0775 6.1528 6.1528 6.6469 6.6469 6.7546 6.7546 6.8519 6.8519 7.0255 7.0255 7.1270 7.1270 10.5869 10.5869 10.8347 10.8347 13.8780 13.8780 14.5734 14.5734 16.0435 16.0435 16.2347 16.2347 k = 0.1838 0.1061 0.3002 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1352 2.1352 2.1384 2.1384 2.7499 2.7499 2.7955 2.7955 2.8097 2.8097 4.0475 4.0475 5.5864 5.5864 5.7811 5.7811 5.9737 5.9737 6.0617 6.0617 6.1359 6.1359 6.6575 6.6575 6.7640 6.7640 6.8754 6.8754 7.0368 7.0368 7.1451 7.1451 10.7166 10.7166 10.9762 10.9762 14.0107 14.0107 14.6576 14.6576 15.9433 15.9433 16.1414 16.1414 k = 0.1765 0.1019 0.2882 ( 3765 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2381 -31.2381 -31.2380 -31.2380 2.1354 2.1354 2.1384 2.1384 2.7513 2.7513 2.7944 2.7944 2.8091 2.8091 3.9748 3.9748 5.5791 5.5791 5.7649 5.7649 5.9707 5.9707 6.0452 6.0452 6.1200 6.1200 6.6691 6.6691 6.7727 6.7727 6.8997 6.8997 7.0485 7.0485 7.1628 7.1628 10.8505 10.8505 11.1200 11.1200 14.1437 14.1437 14.7439 14.7439 15.8458 15.8458 16.0517 16.0517 k = 0.1691 0.0976 0.2762 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2381 -31.2381 -31.2380 -31.2380 2.1357 2.1357 2.1384 2.1384 2.7527 2.7527 2.7934 2.7934 2.8083 2.8083 3.9039 3.9039 5.5725 5.5725 5.7488 5.7488 5.9675 5.9675 6.0278 6.0278 6.1050 6.1050 6.6813 6.6813 6.7809 6.7809 6.9240 6.9240 7.0607 7.0607 7.1798 7.1798 10.9886 10.9886 11.2661 11.2661 14.2769 14.2769 14.8321 14.8321 15.7512 15.7512 15.9659 15.9659 k = 0.1618 0.0934 0.2642 ( 3757 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1359 2.1359 2.1384 2.1384 2.7541 2.7541 2.7925 2.7925 2.8075 2.8075 3.8352 3.8352 5.5667 5.5667 5.7328 5.7328 5.9644 5.9644 6.0101 6.0101 6.0912 6.0912 6.6942 6.6942 6.7891 6.7891 6.9480 6.9480 7.0737 7.0737 7.1962 7.1962 11.1307 11.1307 11.4144 11.4144 14.4099 14.4099 14.9218 14.9218 15.6595 15.6595 15.8844 15.8844 k = 0.1544 0.0891 0.2522 ( 3753 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1361 2.1361 2.1383 2.1383 2.7554 2.7554 2.7916 2.7916 2.8065 2.8065 3.7688 3.7688 5.5613 5.5613 5.7169 5.7169 5.9609 5.9609 5.9924 5.9924 6.0782 6.0782 6.7075 6.7075 6.7971 6.7971 6.9711 6.9711 7.0875 7.0875 7.2118 7.2118 11.2768 11.2768 11.5648 11.5648 14.5426 14.5426 15.0122 15.0122 15.5711 15.5711 15.8079 15.8079 k = 0.1471 0.0849 0.2401 ( 3749 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1362 2.1362 2.1383 2.1383 2.7568 2.7568 2.7909 2.7909 2.8054 2.8054 3.7049 3.7049 5.5563 5.5563 5.7012 5.7012 5.9563 5.9563 5.9761 5.9761 6.0660 6.0660 6.7210 6.7210 6.8051 6.8051 6.9930 6.9930 7.1023 7.1023 7.2265 7.2265 11.4267 11.4267 11.7173 11.7173 14.6746 14.6746 15.1019 15.1019 15.4862 15.4862 15.7376 15.7376 k = 0.1397 0.0807 0.2281 ( 3757 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1364 2.1364 2.1382 2.1382 2.7581 2.7581 2.7902 2.7902 2.8042 2.8042 3.6435 3.6435 5.5518 5.5518 5.6858 5.6858 5.9472 5.9472 5.9647 5.9647 6.0544 6.0544 6.7346 6.7346 6.8128 6.8128 7.0136 7.0136 7.1180 7.1180 7.2405 7.2405 11.5802 11.5802 11.8719 11.8719 14.8055 14.8055 15.1872 15.1872 15.4057 15.4057 15.6762 15.6762 k = 0.1324 0.0764 0.2161 ( 3761 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1365 2.1365 2.1381 2.1381 2.7594 2.7594 2.7896 2.7896 2.8030 2.8030 3.5848 3.5848 5.5476 5.5476 5.6706 5.6706 5.9326 5.9326 5.9594 5.9594 6.0434 6.0434 6.7481 6.7481 6.8204 6.8204 7.0326 7.0326 7.1348 7.1348 7.2536 7.2536 11.7374 11.7374 12.0285 12.0285 14.9348 14.9348 15.2549 15.2549 15.3365 15.3365 15.6303 15.6303 k = 0.1250 0.0722 0.2041 ( 3777 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1365 2.1365 2.1380 2.1380 2.7606 2.7606 2.7891 2.7891 2.8017 2.8017 3.5290 3.5290 5.5436 5.5436 5.6557 5.6557 5.9166 5.9166 5.9563 5.9563 6.0329 6.0329 6.7615 6.7615 6.8278 6.8278 7.0499 7.0499 7.1524 7.1524 7.2659 7.2659 11.8979 11.8979 12.1870 12.1870 15.0617 15.0617 15.2365 15.2365 15.3316 15.3316 15.6157 15.6157 k = 0.1176 0.0679 0.1921 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1366 2.1366 2.1379 2.1379 2.7618 2.7618 2.7887 2.7887 2.8003 2.8003 3.4760 3.4760 5.5400 5.5400 5.6413 5.6413 5.9009 5.9009 5.9540 5.9540 6.0230 6.0230 6.7747 6.7747 6.8351 6.8351 7.0659 7.0659 7.1707 7.1707 7.2774 7.2774 12.0616 12.0616 12.3474 12.3474 15.1631 15.1631 15.1932 15.1932 15.3353 15.3353 15.6492 15.6492 k = 0.1103 0.0637 0.1801 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1367 2.1367 2.1378 2.1378 2.7630 2.7630 2.7883 2.7883 2.7990 2.7990 3.4260 3.4260 5.5366 5.5366 5.6272 5.6272 5.8860 5.8860 5.9521 5.9521 6.0136 6.0136 6.7876 6.7876 6.8420 6.8420 7.0804 7.0804 7.1894 7.1894 7.2881 7.2881 12.2285 12.2285 12.5096 12.5096 15.1020 15.1020 15.2978 15.2978 15.3202 15.3202 15.7214 15.7214 k = 0.1029 0.0594 0.1681 ( 3761 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1367 2.1367 2.1377 2.1377 2.7641 2.7641 2.7880 2.7880 2.7976 2.7976 3.3791 3.3791 5.5334 5.5334 5.6137 5.6137 5.8720 5.8720 5.9505 5.9505 6.0047 6.0047 6.8000 6.8000 6.8485 6.8485 7.0937 7.0937 7.2082 7.2082 7.2980 7.2980 12.3981 12.3981 12.6735 12.6735 15.0388 15.0388 15.2681 15.2681 15.4270 15.4270 15.8121 15.8121 k = 0.0956 0.0552 0.1561 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1367 2.1367 2.1376 2.1376 2.7651 2.7651 2.7877 2.7877 2.7963 2.7963 3.3353 3.3353 5.5303 5.5303 5.6006 5.6006 5.8590 5.8590 5.9491 5.9491 5.9963 5.9963 6.8118 6.8118 6.8546 6.8546 7.1059 7.1059 7.2267 7.2267 7.3071 7.3071 12.5703 12.5703 12.8389 12.8389 14.9791 14.9791 15.2257 15.2257 15.5371 15.5371 15.9105 15.9105 k = 0.0882 0.0509 0.1441 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1367 2.1367 2.1374 2.1374 2.7661 2.7661 2.7874 2.7874 2.7950 2.7950 3.2946 3.2946 5.5274 5.5274 5.5881 5.5881 5.8472 5.8472 5.9478 5.9478 5.9885 5.9885 6.8231 6.8231 6.8604 6.8604 7.1171 7.1171 7.2446 7.2446 7.3155 7.3155 12.7448 12.7448 13.0056 13.0056 14.9235 14.9235 15.1834 15.1834 15.6394 15.6394 16.0106 16.0106 k = 0.0809 0.0467 0.1321 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1366 2.1366 2.1373 2.1373 2.7670 2.7670 2.7872 2.7872 2.7938 2.7938 3.2571 3.2571 5.5246 5.5246 5.5763 5.5763 5.8365 5.8365 5.9467 5.9467 5.9812 5.9812 6.8338 6.8338 6.8658 6.8658 7.1274 7.1274 7.2618 7.2618 7.3231 7.3231 12.9211 12.9211 13.1735 13.1735 14.8722 14.8722 15.1431 15.1431 15.7303 15.7303 16.0947 16.0947 k = 0.0735 0.0425 0.1201 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1366 2.1366 2.1371 2.1371 2.7678 2.7678 2.7870 2.7870 2.7926 2.7926 3.2228 3.2228 5.5220 5.5220 5.5652 5.5652 5.8269 5.8269 5.9457 5.9457 5.9745 5.9745 6.8438 6.8438 6.8707 6.8707 7.1369 7.1369 7.2780 7.2780 7.3300 7.3300 13.0986 13.0986 13.3422 13.3422 14.8255 14.8255 15.1058 15.1058 15.8046 15.8046 16.0893 16.0893 k = 0.0662 0.0382 0.1081 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1365 2.1365 2.1370 2.1370 2.7686 2.7686 2.7869 2.7869 2.7914 2.7914 3.1917 3.1917 5.5195 5.5195 5.5549 5.5549 5.8184 5.8184 5.9449 5.9449 5.9683 5.9683 6.8531 6.8531 6.8752 6.8752 7.1455 7.1455 7.2931 7.2931 7.3361 7.3361 13.2766 13.2766 13.5112 13.5112 14.7837 14.7837 15.0719 15.0719 15.8569 15.8569 16.0728 16.0728 k = 0.0588 0.0340 0.0961 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1365 2.1365 2.1369 2.1369 2.7693 2.7693 2.7867 2.7867 2.7904 2.7904 3.1639 3.1639 5.5172 5.5172 5.5454 5.5454 5.8111 5.8111 5.9441 5.9441 5.9628 5.9628 6.8615 6.8615 6.8792 6.8792 7.1533 7.1533 7.3069 7.3069 7.3416 7.3416 13.4540 13.4540 13.6802 13.6802 14.7472 14.7472 15.0421 15.0421 15.8863 15.8863 16.0572 16.0572 k = 0.0515 0.0297 0.0841 ( 3775 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1364 2.1364 2.1367 2.1367 2.7698 2.7698 2.7866 2.7866 2.7894 2.7894 3.1394 3.1394 5.5151 5.5151 5.5369 5.5369 5.8047 5.8047 5.9435 5.9435 5.9578 5.9578 6.8690 6.8690 6.8828 6.8828 7.1602 7.1602 7.3194 7.3194 7.3464 7.3464 13.6290 13.6290 13.8483 13.8483 14.7165 14.7165 15.0166 15.0166 15.8986 15.8986 16.0432 16.0432 k = 0.0441 0.0255 0.0720 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1364 2.1364 2.1366 2.1366 2.7703 2.7703 2.7865 2.7865 2.7886 2.7886 3.1182 3.1182 5.5133 5.5133 5.5293 5.5293 5.7994 5.7994 5.9430 5.9430 5.9535 5.9535 6.8757 6.8757 6.8860 6.8860 7.1663 7.1663 7.3304 7.3304 7.3505 7.3505 13.7988 13.7988 14.0144 14.0144 14.6924 14.6924 14.9963 14.9963 15.9010 15.9010 16.0307 16.0307 k = 0.0368 0.0212 0.0600 ( 3769 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1363 2.1363 2.1365 2.1365 2.7707 2.7707 2.7863 2.7863 2.7878 2.7878 3.1003 3.1003 5.5116 5.5116 5.5228 5.5228 5.7949 5.7949 5.9425 5.9425 5.9498 5.9498 6.8813 6.8813 6.8886 6.8886 7.1714 7.1714 7.3398 7.3398 7.3540 7.3540 13.9591 13.9591 14.1766 14.1766 14.6763 14.6763 14.9819 14.9819 15.8980 15.8980 16.0198 16.0198 k = 0.0294 0.0170 0.0480 ( 3769 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1363 2.1363 2.1364 2.1364 2.7710 2.7710 2.7863 2.7863 2.7872 2.7872 3.0856 3.0856 5.5102 5.5102 5.5175 5.5175 5.7914 5.7914 5.9422 5.9422 5.9468 5.9468 6.8860 6.8860 6.8908 6.8908 7.1757 7.1757 7.3476 7.3476 7.3568 7.3568 14.1029 14.1029 14.3321 14.3321 14.6702 14.6702 14.9749 14.9749 15.8914 15.8914 16.0102 16.0102 k = 0.0221 0.0127 0.0360 ( 3765 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1363 2.1363 2.1363 2.1363 2.7713 2.7713 2.7862 2.7862 2.7867 2.7867 3.0742 3.0742 5.5091 5.5091 5.5132 5.5132 5.7887 5.7887 5.9419 5.9419 5.9445 5.9445 6.8898 6.8898 6.8925 6.8925 7.1790 7.1790 7.3538 7.3538 7.3588 7.3588 14.2203 14.2203 14.4757 14.4757 14.6757 14.6757 14.9776 14.9776 15.8801 15.8801 16.0011 16.0011 k = 0.0147 0.0085 0.0240 ( 3761 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1362 2.1362 2.1363 2.1363 2.7714 2.7714 2.7861 2.7861 2.7864 2.7864 3.0661 3.0661 5.5084 5.5084 5.5102 5.5102 5.7868 5.7868 5.9418 5.9418 5.9429 5.9429 6.8925 6.8925 6.8937 6.8937 7.1815 7.1815 7.3582 7.3582 7.3604 7.3604 14.3023 14.3023 14.5978 14.5978 14.6912 14.6912 14.9910 14.9910 15.8594 15.8594 15.9905 15.9905 k = 0.0074 0.0042 0.0120 ( 3751 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1362 2.1362 2.1362 2.1362 2.7715 2.7715 2.7861 2.7861 2.7862 2.7862 3.0612 3.0612 5.5079 5.5079 5.5083 5.5083 5.7856 5.7856 5.9417 5.9417 5.9420 5.9420 6.8942 6.8942 6.8945 6.8945 7.1830 7.1830 7.3609 7.3609 7.3612 7.3612 14.3473 14.3473 14.6833 14.6833 14.7077 14.7077 15.0103 15.0103 15.8271 15.8271 15.9757 15.9757 k = 0.0000 0.0000 0.0000 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1362 2.1362 2.1362 2.1362 2.7716 2.7716 2.7861 2.7861 2.7861 2.7861 3.0596 3.0596 5.5077 5.5077 5.5077 5.5077 5.7852 5.7852 5.9416 5.9416 5.9416 5.9416 6.8948 6.8948 6.8948 6.8948 7.1835 7.1835 7.3614 7.3614 7.3614 7.3614 14.3610 14.3610 14.7146 14.7146 14.7146 14.7146 15.0203 15.0203 15.8086 15.8086 15.9672 15.9672 k = 0.0000 0.0000 0.0000 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1362 2.1362 2.1362 2.1362 2.7716 2.7716 2.7861 2.7861 2.7861 2.7861 3.0596 3.0596 5.5077 5.5077 5.5077 5.5077 5.7852 5.7852 5.9416 5.9416 5.9416 5.9416 6.8948 6.8948 6.8948 6.8948 7.1835 7.1835 7.3614 7.3614 7.3614 7.3614 14.3610 14.3610 14.7146 14.7146 14.7146 14.7146 15.0203 15.0203 15.8086 15.8086 15.9672 15.9672 k = 0.0122 0.0070 0.0050 ( 3743 PWs) bands (ev): -64.5857 -64.5857 -31.5257 -31.5257 -31.2379 -31.2379 -31.2379 -31.2379 2.1362 2.1362 2.1362 2.1362 2.7715 2.7715 2.7861 2.7861 2.7862 2.7862 3.0613 3.0613 5.5080 5.5080 5.5082 5.5082 5.7857 5.7857 5.9418 5.9418 5.9419 5.9419 6.8942 6.8942 6.8945 6.8945 7.1830 7.1830 7.3611 7.3611 7.3612 7.3612 14.3466 14.3466 14.6810 14.6810 14.7091 14.7091 15.0103 15.0103 15.8273 15.8273 15.9755 15.9755 k = 0.0244 0.0141 0.0100 ( 3758 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1362 2.1362 2.1363 2.1363 2.7714 2.7714 2.7862 2.7862 2.7864 2.7864 3.0663 3.0663 5.5089 5.5089 5.5098 5.5098 5.7868 5.7868 5.9423 5.9423 5.9424 5.9424 6.8924 6.8924 6.8937 6.8937 7.1814 7.1814 7.3590 7.3590 7.3595 7.3595 14.2959 14.2959 14.5983 14.5983 14.6929 14.6929 14.9912 14.9912 15.8629 15.8629 15.9999 15.9999 k = 0.0366 0.0211 0.0149 ( 3761 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2379 -31.2379 -31.2379 -31.2379 2.1363 2.1363 2.1363 2.1363 2.7713 2.7713 2.7863 2.7863 2.7867 2.7867 3.0747 3.0747 5.5103 5.5103 5.5124 5.5124 5.7888 5.7888 5.9431 5.9431 5.9435 5.9435 6.8897 6.8897 6.8924 6.8924 7.1789 7.1789 7.3556 7.3556 7.3568 7.3568 14.1905 14.1905 14.5109 14.5109 14.6673 14.6673 14.9728 14.9728 15.9020 15.9020 16.0392 16.0392 k = 0.0488 0.0282 0.0199 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1363 2.1363 2.1364 2.1364 2.7710 2.7710 2.7864 2.7864 2.7871 2.7871 3.0865 3.0865 5.5122 5.5122 5.5159 5.5159 5.7915 5.7915 5.9443 5.9443 5.9450 5.9450 6.8858 6.8858 6.8907 6.8907 7.1754 7.1754 7.3509 7.3509 7.3529 7.3529 14.0284 14.0284 14.4449 14.4449 14.6339 14.6339 14.9557 14.9557 15.9461 15.9461 16.0916 16.0916 k = 0.0610 0.0352 0.0249 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1364 2.1364 2.1365 2.1365 2.7707 2.7707 2.7866 2.7866 2.7877 2.7877 3.1016 3.1016 5.5146 5.5146 5.5205 5.5205 5.7950 5.7950 5.9458 5.9458 5.9470 5.9470 6.8809 6.8809 6.8885 6.8885 7.1711 7.1711 7.3448 7.3448 7.3479 7.3479 13.8317 13.8317 14.3931 14.3931 14.5945 14.5945 14.9387 14.9387 15.9950 15.9950 16.1435 16.1435 k = 0.0732 0.0422 0.0299 ( 3779 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1364 2.1364 2.1366 2.1366 2.7703 2.7703 2.7867 2.7867 2.7883 2.7883 3.1202 3.1202 5.5176 5.5176 5.5261 5.5261 5.7993 5.7993 5.9477 5.9477 5.9494 5.9494 6.8749 6.8749 6.8857 6.8857 7.1656 7.1656 7.3374 7.3374 7.3419 7.3419 13.6181 13.6181 14.3462 14.3462 14.5508 14.5508 14.9214 14.9214 16.0453 16.0453 16.1943 16.1943 k = 0.0854 0.0493 0.0349 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1365 2.1365 2.1367 2.1367 2.7697 2.7697 2.7869 2.7869 2.7891 2.7891 3.1421 3.1421 5.5209 5.5209 5.5327 5.5327 5.8044 5.8044 5.9500 5.9500 5.9523 5.9523 6.8681 6.8681 6.8826 6.8826 7.1594 7.1594 7.3287 7.3287 7.3348 7.3348 13.3964 13.3964 14.3005 14.3005 14.5043 14.5043 14.9039 14.9039 16.0886 16.0886 16.2444 16.2444 k = 0.0976 0.0563 0.0398 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1366 2.1366 2.1368 2.1368 2.7691 2.7691 2.7871 2.7871 2.7901 2.7901 3.1675 3.1675 5.5246 5.5246 5.5402 5.5402 5.8103 5.8103 5.9526 5.9526 5.9557 5.9557 6.8603 6.8603 6.8790 6.8790 7.1523 7.1523 7.3188 7.3188 7.3267 7.3267 13.1707 13.1707 14.2549 14.2549 14.4561 14.4561 14.8863 14.8863 16.1084 16.1084 16.2858 16.2858 k = 0.1098 0.0634 0.0448 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1367 2.1367 2.1369 2.1369 2.7684 2.7684 2.7873 2.7873 2.7911 2.7911 3.1962 3.1962 5.5286 5.5286 5.5486 5.5486 5.8170 5.8170 5.9556 5.9556 5.9596 5.9596 6.8516 6.8516 6.8750 6.8750 7.1443 7.1443 7.3076 7.3076 7.3175 7.3175 12.9434 12.9434 14.2093 14.2093 14.4071 14.4071 14.8689 14.8689 16.0945 16.0945 16.3294 16.3294 k = 0.1220 0.0704 0.0498 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1368 2.1368 2.1370 2.1370 2.7676 2.7676 2.7875 2.7875 2.7922 2.7922 3.2284 3.2284 5.5329 5.5329 5.5579 5.5579 5.8246 5.8246 5.9590 5.9590 5.9640 5.9640 6.8422 6.8422 6.8705 6.8705 7.1355 7.1355 7.2953 7.2953 7.3074 7.3074 12.7160 12.7160 14.1640 14.1640 14.3582 14.3582 14.8518 14.8518 16.0577 16.0577 16.3652 16.3652 k = 0.1341 0.0774 0.0548 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1369 2.1369 2.1371 2.1371 2.7668 2.7668 2.7878 2.7878 2.7934 2.7934 3.2639 3.2639 5.5374 5.5374 5.5680 5.5680 5.8329 5.8329 5.9627 5.9627 5.9690 5.9690 6.8320 6.8320 6.8655 6.8655 7.1259 7.1259 7.2818 7.2818 7.2963 7.2963 12.4893 12.4893 14.1191 14.1191 14.3099 14.3099 14.8352 14.8352 16.0089 16.0089 16.3592 16.3592 k = 0.1463 0.0845 0.0597 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1370 2.1370 2.1371 2.1371 2.7658 2.7658 2.7880 2.7880 2.7948 2.7948 3.3027 3.3027 5.5420 5.5420 5.5790 5.5790 5.8421 5.8421 5.9667 5.9667 5.9745 5.9745 6.8213 6.8213 6.8602 6.8602 7.1155 7.1155 7.2671 7.2671 7.2843 7.2843 12.2638 12.2638 14.0752 14.0752 14.2626 14.2626 14.8194 14.8194 15.9536 15.9536 16.2998 16.2998 k = 0.1585 0.0915 0.0647 ( 3777 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1371 2.1371 2.1371 2.1371 2.7648 2.7648 2.7883 2.7883 2.7962 2.7962 3.3448 3.3448 5.5466 5.5466 5.5908 5.5908 5.8521 5.8521 5.9712 5.9712 5.9806 5.9806 6.8100 6.8100 6.8544 6.8544 7.1043 7.1043 7.2514 7.2514 7.2713 7.2713 12.0400 12.0400 14.0323 14.0323 14.2168 14.2168 14.8044 14.8044 15.8939 15.8939 16.2208 16.2208 k = 0.1707 0.0986 0.0697 ( 3774 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1371 2.1371 2.1372 2.1372 2.7637 2.7637 2.7886 2.7886 2.7977 2.7977 3.3901 3.3901 5.5513 5.5513 5.6033 5.6033 5.8628 5.8628 5.9760 5.9760 5.9873 5.9873 6.7982 6.7982 6.8483 6.8483 7.0923 7.0923 7.2348 7.2348 7.2576 7.2576 11.8182 11.8182 13.9909 13.9909 14.1726 14.1726 14.7904 14.7904 15.8314 15.8314 16.1403 16.1403 k = 0.1829 0.1056 0.0747 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1371 2.1371 2.1374 2.1374 2.7626 2.7626 2.7889 2.7889 2.7992 2.7992 3.4385 3.4385 5.5559 5.5559 5.6165 5.6165 5.8743 5.8743 5.9812 5.9812 5.9947 5.9947 6.7861 6.7861 6.8417 6.8417 7.0796 7.0796 7.2172 7.2172 7.2430 7.2430 11.5987 11.5987 13.9510 13.9510 14.1305 14.1305 14.7774 14.7774 15.7668 15.7668 16.0589 16.0589 k = 0.1951 0.1127 0.0797 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1371 2.1371 2.1375 2.1375 2.7615 2.7615 2.7893 2.7893 2.8008 2.8008 3.4901 3.4901 5.5603 5.5603 5.6303 5.6303 5.8865 5.8865 5.9868 5.9868 6.0029 6.0029 6.7740 6.7740 6.8348 6.8348 7.0662 7.0662 7.1986 7.1986 7.2276 7.2276 11.3816 11.3816 13.9128 13.9128 14.0904 14.0904 14.7655 14.7655 15.7008 15.7008 15.9769 15.9769 k = 0.2073 0.1197 0.0846 ( 3777 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1370 2.1370 2.1377 2.1377 2.7603 2.7603 2.7897 2.7897 2.8025 2.8025 3.5447 3.5447 5.5644 5.5644 5.6447 5.6447 5.8994 5.8994 5.9927 5.9927 6.0117 6.0117 6.7618 6.7618 6.8275 6.8275 7.0520 7.0520 7.1794 7.1794 7.2115 7.2115 11.1671 11.1671 13.8765 13.8765 14.0526 14.0526 14.7546 14.7546 15.6339 15.6339 15.8949 15.8949 k = 0.2195 0.1267 0.0896 ( 3777 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1369 2.1369 2.1378 2.1378 2.7591 2.7591 2.7901 2.7901 2.8042 2.8042 3.6021 3.6021 5.5682 5.5682 5.6596 5.6596 5.9128 5.9128 5.9990 5.9990 6.0214 6.0214 6.7497 6.7497 6.8200 6.8200 7.0371 7.0371 7.1594 7.1594 7.1948 7.1948 10.9554 10.9554 13.8422 13.8422 14.0171 14.0171 14.7449 14.7449 15.5666 15.5666 15.8131 15.8131 k = 0.2317 0.1338 0.0946 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2380 -31.2380 2.1367 2.1367 2.1379 2.1379 2.7580 2.7580 2.7905 2.7905 2.8059 2.8059 3.6624 3.6624 5.5717 5.5717 5.6750 5.6750 5.9269 5.9269 6.0056 6.0056 6.0321 6.0321 6.7380 6.7380 6.8122 6.8122 7.0216 7.0216 7.1389 7.1389 7.1775 7.1775 10.7467 10.7467 13.8099 13.8099 13.9841 13.9841 14.7363 14.7363 15.4992 15.4992 15.7319 15.7319 k = 0.2439 0.1408 0.0996 ( 3762 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1366 2.1366 2.1381 2.1381 2.7569 2.7569 2.7910 2.7910 2.8077 2.8077 3.7253 3.7253 5.5747 5.5747 5.6908 5.6908 5.9414 5.9414 6.0125 6.0125 6.0436 6.0436 6.7267 6.7267 6.8041 6.8041 7.0053 7.0053 7.1180 7.1180 7.1598 7.1598 10.5410 10.5410 13.7797 13.7797 13.9536 13.9536 14.7289 14.7289 15.4321 15.4321 15.6516 15.6516 k = 0.2561 0.1479 0.1046 ( 3756 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1364 2.1364 2.1382 2.1382 2.7557 2.7557 2.7915 2.7915 2.8095 2.8095 3.7908 3.7908 5.5771 5.5771 5.7069 5.7069 5.9564 5.9564 6.0198 6.0198 6.0562 6.0562 6.7160 6.7160 6.7959 6.7959 6.9882 6.9882 7.0967 7.0967 7.1416 7.1416 10.3385 10.3385 13.7516 13.7516 13.9257 13.9257 14.7226 14.7226 15.3657 15.3657 15.5726 15.5726 k = 0.2683 0.1549 0.1095 ( 3756 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2380 -31.2380 -31.2379 -31.2379 2.1362 2.1362 2.1384 2.1384 2.7546 2.7546 2.7921 2.7921 2.8113 2.8113 3.8585 3.8585 5.5790 5.5790 5.7232 5.7232 5.9717 5.9717 6.0274 6.0274 6.0698 6.0698 6.7061 6.7061 6.7874 6.7874 6.9703 6.9703 7.0752 7.0752 7.1230 7.1230 10.1394 10.1394 13.7257 13.7257 13.9003 13.9003 14.7175 14.7175 15.3001 15.3001 15.4949 15.4949 k = 0.2805 0.1619 0.1145 ( 3768 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2381 -31.2381 -31.2380 -31.2380 2.1360 2.1360 2.1385 2.1385 2.7536 2.7536 2.7926 2.7926 2.8131 2.8131 3.9285 3.9285 5.5803 5.5803 5.7397 5.7397 5.9873 5.9873 6.0352 6.0352 6.0844 6.0844 6.6969 6.6969 6.7787 6.7787 6.9515 6.9515 7.0537 7.0537 7.1041 7.1041 9.9437 9.9437 13.7019 13.7019 13.8774 13.8774 14.7135 14.7135 15.2358 15.2358 15.4188 15.4188 k = 0.2927 0.1690 0.1195 ( 3768 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2381 -31.2381 -31.2380 -31.2380 2.1358 2.1358 2.1386 2.1386 2.7526 2.7526 2.7932 2.7932 2.8149 2.8149 4.0003 4.0003 5.5809 5.5809 5.7562 5.7562 6.0033 6.0033 6.0432 6.0432 6.1001 6.1001 6.6889 6.6889 6.7700 6.7700 6.9319 6.9319 7.0324 7.0324 7.0850 7.0850 9.7517 9.7517 13.6802 13.6802 13.8571 13.8571 14.7107 14.7107 15.1730 15.1730 15.3447 15.3447 k = 0.3049 0.1760 0.1245 ( 3774 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1356 2.1356 2.1387 2.1387 2.7516 2.7516 2.7939 2.7939 2.8166 2.8166 4.0738 4.0738 5.5806 5.5806 5.7727 5.7727 6.0196 6.0196 6.0515 6.0515 6.1168 6.1168 6.6821 6.6821 6.7612 6.7612 6.9114 6.9114 7.0116 7.0116 7.0658 7.0658 9.5634 9.5634 13.6607 13.6607 13.8393 13.8393 14.7090 14.7090 15.1120 15.1120 15.2726 15.2726 k = 0.3171 0.1831 0.1294 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2381 -31.2381 -31.2379 -31.2379 2.1354 2.1354 2.1389 2.1389 2.7507 2.7507 2.7945 2.7945 2.8183 2.8183 4.1486 4.1486 5.5796 5.5796 5.7891 5.7891 6.0365 6.0365 6.0600 6.0600 6.1345 6.1345 6.6765 6.6765 6.7525 6.7525 6.8900 6.8900 6.9917 6.9917 7.0467 7.0467 9.3792 9.3792 13.6431 13.6431 13.8240 13.8240 14.7084 14.7084 15.0529 15.0529 15.2029 15.2029 k = 0.3293 0.1901 0.1344 ( 3783 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1352 2.1352 2.1390 2.1390 2.7498 2.7498 2.7951 2.7951 2.8199 2.8199 4.2244 4.2244 5.5779 5.5779 5.8053 5.8053 6.0538 6.0538 6.0685 6.0685 6.1529 6.1529 6.6722 6.6722 6.7436 6.7436 6.8675 6.8675 6.9726 6.9726 7.0277 7.0277 9.1992 9.1992 13.6275 13.6275 13.8110 13.8110 14.7089 14.7089 14.9961 14.9961 15.1357 15.1357 k = 0.3415 0.1971 0.1394 ( 3777 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1350 2.1350 2.1391 2.1391 2.7491 2.7491 2.7957 2.7957 2.8215 2.8215 4.3008 4.3008 5.5753 5.5753 5.8211 5.8211 6.0719 6.0719 6.0771 6.0771 6.1721 6.1721 6.6692 6.6692 6.7351 6.7351 6.8441 6.8441 6.9552 6.9552 7.0089 7.0089 9.0235 9.0235 13.6139 13.6139 13.8004 13.8004 14.7105 14.7105 14.9419 14.9419 15.0713 15.0713 k = 0.3537 0.2042 0.1444 ( 3774 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1348 2.1348 2.1392 2.1392 2.7483 2.7483 2.7964 2.7964 2.8230 2.8230 4.3773 4.3773 5.5718 5.5718 5.8364 5.8364 6.0858 6.0858 6.0909 6.0909 6.1919 6.1919 6.6674 6.6674 6.7269 6.7269 6.8197 6.8197 6.9398 6.9398 6.9905 6.9905 8.8526 8.8526 13.6021 13.6021 13.7919 13.7919 14.7131 14.7131 14.8904 14.8904 15.0098 15.0098 k = 0.3659 0.2112 0.1494 ( 3774 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1347 2.1347 2.1393 2.1393 2.7477 2.7477 2.7970 2.7970 2.8245 2.8245 4.4533 4.4533 5.5674 5.5674 5.8512 5.8512 6.0943 6.0943 6.1108 6.1108 6.2120 6.2120 6.6664 6.6664 6.7188 6.7188 6.7946 6.7946 6.9268 6.9268 6.9727 6.9727 8.6866 8.6866 13.5919 13.5919 13.7855 13.7855 14.7167 14.7167 14.8418 14.8418 14.9516 14.9516 k = 0.3780 0.2183 0.1543 ( 3774 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1345 2.1345 2.1394 2.1394 2.7470 2.7470 2.7976 2.7976 2.8258 2.8258 4.5282 4.5282 5.5621 5.5621 5.8653 5.8653 6.1026 6.1026 6.1318 6.1318 6.2324 6.2324 6.6658 6.6658 6.7111 6.7111 6.7687 6.7687 6.9172 6.9172 6.9555 6.9555 8.5259 8.5259 13.5834 13.5834 13.7810 13.7810 14.7211 14.7211 14.7966 14.7966 14.8968 14.8968 k = 0.3902 0.2253 0.1593 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1344 2.1344 2.1394 2.1394 2.7465 2.7465 2.7982 2.7982 2.8271 2.8271 4.6013 4.6013 5.5559 5.5559 5.8785 5.8785 6.1106 6.1106 6.1541 6.1541 6.2527 6.2527 6.6650 6.6650 6.7038 6.7038 6.7421 6.7421 6.9120 6.9120 6.9391 6.9391 8.3709 8.3709 13.5763 13.5763 13.7781 13.7781 14.7256 14.7256 14.7556 14.7556 14.8457 14.8457 k = 0.4024 0.2323 0.1643 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1342 2.1342 2.1395 2.1395 2.7460 2.7460 2.7987 2.7987 2.8282 2.8282 4.6716 4.6716 5.5488 5.5488 5.8908 5.8908 6.1183 6.1183 6.1778 6.1778 6.2730 6.2730 6.6632 6.6632 6.6970 6.6970 6.7153 6.7153 6.9122 6.9122 6.9238 6.9238 8.2222 8.2222 13.5706 13.5706 13.7768 13.7768 14.7132 14.7132 14.7358 14.7358 14.7987 14.7987 k = 0.4146 0.2394 0.1693 ( 3774 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1341 2.1341 2.1396 2.1396 2.7456 2.7456 2.7992 2.7992 2.8292 2.8292 4.7383 4.7383 5.5410 5.5410 5.9021 5.9021 6.1255 6.1255 6.2027 6.2027 6.2928 6.2928 6.6594 6.6594 6.6888 6.6888 6.6908 6.6908 6.9098 6.9098 6.9190 6.9190 8.0802 8.0802 13.5660 13.5660 13.7766 13.7766 14.6802 14.6802 14.7412 14.7412 14.7561 14.7561 k = 0.4268 0.2464 0.1743 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1340 2.1340 2.1396 2.1396 2.7452 2.7452 2.7996 2.7996 2.8301 2.8301 4.8003 4.8003 5.5325 5.5325 5.9121 5.9121 6.1321 6.1321 6.2287 6.2287 6.3118 6.3118 6.6496 6.6496 6.6664 6.6664 6.6852 6.6852 6.8970 6.8970 6.9332 6.9332 7.9458 7.9458 13.5625 13.5625 13.7774 13.7774 14.6499 14.6499 14.7181 14.7181 14.7482 14.7482 k = 0.4390 0.2535 0.1792 ( 3783 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1339 2.1339 2.1397 2.1397 2.7449 2.7449 2.8000 2.8000 2.8309 2.8309 4.8563 4.8563 5.5238 5.5238 5.9208 5.9208 6.1379 6.1379 6.2555 6.2555 6.3297 6.3297 6.6274 6.6274 6.6550 6.6550 6.6804 6.6804 6.8858 6.8858 6.9551 6.9551 7.8197 7.8197 13.5598 13.5598 13.7788 13.7788 14.6238 14.6238 14.6851 14.6851 14.7554 14.7554 k = 0.4512 0.2605 0.1842 ( 3783 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1338 2.1338 2.1397 2.1397 2.7446 2.7446 2.8003 2.8003 2.8316 2.8316 4.9051 4.9051 5.5151 5.5151 5.9281 5.9281 6.1429 6.1429 6.2822 6.2822 6.3462 6.3462 6.6011 6.6011 6.6473 6.6473 6.6764 6.6764 6.8764 6.8764 6.9845 6.9845 7.7035 7.7035 13.5579 13.5579 13.7806 13.7806 14.6022 14.6022 14.6575 14.6575 14.7625 14.7625 k = 0.4634 0.2676 0.1892 ( 3783 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1338 2.1338 2.1398 2.1398 2.7444 2.7444 2.8006 2.8006 2.8321 2.8321 4.9452 4.9452 5.5071 5.5071 5.9339 5.9339 6.1469 6.1469 6.3075 6.3075 6.3609 6.3609 6.5752 6.5752 6.6403 6.6403 6.6733 6.6733 6.8688 6.8688 7.0201 7.0201 7.5993 7.5993 13.5565 13.5565 13.7823 13.7823 14.5851 14.5851 14.6356 14.6356 14.7689 14.7689 k = 0.4756 0.2746 0.1942 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7443 2.7443 2.8008 2.8008 2.8324 2.8324 4.9754 4.9754 5.5005 5.5005 5.9381 5.9381 6.1498 6.1498 6.3291 6.3291 6.3735 6.3735 6.5521 6.5521 6.6344 6.6344 6.6710 6.6710 6.8633 6.8633 7.0588 7.0588 7.5110 7.5110 13.5556 13.5556 13.7838 13.7838 14.5727 14.5727 14.6197 14.6197 14.7741 14.7741 k = 0.4878 0.2816 0.1991 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7442 2.7442 2.8009 2.8009 2.8326 2.8326 4.9941 4.9941 5.4961 5.4961 5.9406 5.9406 6.1516 6.1516 6.3437 6.3437 6.3833 6.3833 6.5348 6.5348 6.6305 6.6305 6.6696 6.6696 6.8600 6.8600 7.0928 7.0928 7.4468 7.4468 13.5551 13.5551 13.7848 13.7848 14.5653 14.5653 14.6100 14.6100 14.7775 14.7775 k = 0.5000 0.2887 0.2041 ( 3798 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7441 2.7441 2.8009 2.8009 2.8327 2.8327 5.0004 5.0004 5.4945 5.4945 5.9414 5.9414 6.1521 6.1521 6.3487 6.3487 6.3874 6.3874 6.5282 6.5282 6.6291 6.6291 6.6691 6.6691 6.8588 6.8588 7.1076 7.1076 7.4219 7.4219 13.5550 13.5550 13.7851 13.7851 14.5628 14.5628 14.6068 14.6068 14.7786 14.7786 k = 0.5000 0.2887 0.2041 ( 3798 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7441 2.7441 2.8009 2.8009 2.8327 2.8327 5.0004 5.0004 5.4945 5.4945 5.9414 5.9414 6.1521 6.1521 6.3487 6.3487 6.3874 6.3874 6.5282 6.5282 6.6291 6.6291 6.6691 6.6691 6.8588 6.8588 7.1076 7.1076 7.4219 7.4219 13.5550 13.5550 13.7851 13.7851 14.5628 14.5628 14.6068 14.6068 14.7786 14.7786 k = 0.5043 0.2762 0.2112 ( 3794 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7441 2.7441 2.8009 2.8009 2.8326 2.8326 5.0010 5.0010 5.4958 5.4958 5.9416 5.9416 6.1513 6.1513 6.3488 6.3488 6.3878 6.3878 6.5263 6.5263 6.6282 6.6282 6.6718 6.6718 6.8587 6.8587 7.1094 7.1094 7.4223 7.4223 13.5254 13.5254 13.7466 13.7466 14.5599 14.5599 14.6152 14.6152 14.8067 14.8067 k = 0.5086 0.2638 0.2182 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7440 2.7440 2.8010 2.8010 2.8324 2.8324 5.0030 5.0030 5.4995 5.4995 5.9420 5.9420 6.1488 6.1488 6.3489 6.3489 6.3892 6.3892 6.5209 6.5209 6.6258 6.6258 6.6790 6.6790 6.8583 6.8583 7.1151 7.1151 7.4235 7.4235 13.4387 13.4387 13.6528 13.6528 14.5121 14.5121 14.6755 14.6755 14.8880 14.8880 k = 0.5129 0.2513 0.2252 ( 3784 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1336 2.1336 2.1397 2.1397 2.7437 2.7437 2.8011 2.8011 2.8321 2.8321 5.0061 5.0061 5.5057 5.5057 5.9426 5.9426 6.1446 6.1446 6.3490 6.3490 6.3913 6.3913 6.5127 6.5127 6.6230 6.6230 6.6891 6.6891 6.8577 6.8577 7.1242 7.1242 7.4255 7.4255 13.3024 13.3024 13.5389 13.5389 14.4414 14.4414 14.7700 14.7700 14.9986 14.9986 k = 0.5172 0.2389 0.2323 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1335 2.1335 2.1396 2.1396 2.7434 2.7434 2.8012 2.8012 2.8317 2.8317 5.0105 5.0105 5.5142 5.5142 5.9435 5.9435 6.1390 6.1390 6.3490 6.3490 6.3941 6.3941 6.5027 6.5027 6.6203 6.6203 6.7008 6.7008 6.8571 6.8571 7.1368 7.1368 7.4283 7.4283 13.1312 13.1312 13.4209 13.4209 14.3651 14.3651 14.8839 14.8839 15.1192 15.1192 k = 0.5216 0.2265 0.2393 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1334 2.1334 2.1395 2.1395 2.7430 2.7430 2.8012 2.8012 2.8312 2.8312 5.0161 5.0161 5.5249 5.5249 5.9447 5.9447 6.1320 6.1320 6.3489 6.3489 6.3976 6.3976 6.4916 6.4916 6.6177 6.6177 6.7135 6.7135 6.8566 6.8566 7.1525 7.1525 7.4321 7.4321 12.9398 12.9398 13.3017 13.3017 14.2885 14.2885 15.0104 15.0104 15.2431 15.2431 k = 0.5259 0.2140 0.2464 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1333 2.1333 2.1394 2.1394 2.7425 2.7425 2.8013 2.8013 2.8307 2.8307 5.0229 5.0229 5.5376 5.5376 5.9462 5.9462 6.1240 6.1240 6.3484 6.3484 6.4014 6.4014 6.4803 6.4803 6.6153 6.6153 6.7268 6.7268 6.8565 6.8565 7.1711 7.1711 7.4368 7.4368 12.7380 12.7380 13.1816 13.1816 14.2136 14.2136 15.1456 15.1456 15.3695 15.3695 k = 0.5302 0.2016 0.2534 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1331 2.1331 2.1393 2.1393 2.7418 2.7418 2.8012 2.8012 2.8302 2.8302 5.0307 5.0307 5.5521 5.5521 5.9479 5.9479 6.1150 6.1150 6.3474 6.3474 6.4055 6.4055 6.4694 6.4694 6.6132 6.6132 6.7401 6.7401 6.8567 6.8567 7.1923 7.1923 7.4427 7.4427 12.5310 12.5310 13.0612 13.0612 14.1413 14.1413 15.2868 15.2868 15.4986 15.4986 k = 0.5345 0.1891 0.2604 ( 3769 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1329 2.1329 2.1391 2.1391 2.7412 2.7412 2.8011 2.8011 2.8298 2.8298 5.0396 5.0396 5.5682 5.5682 5.9500 5.9500 6.1053 6.1053 6.3455 6.3455 6.4096 6.4096 6.4596 6.4596 6.6115 6.6115 6.7534 6.7534 6.8576 6.8576 7.2157 7.2157 7.4499 7.4499 12.3216 12.3216 12.9409 12.9409 14.0720 14.0720 15.4326 15.4326 15.6311 15.6311 k = 0.5388 0.1767 0.2675 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1327 2.1327 2.1389 2.1389 2.7404 2.7404 2.8007 2.8007 2.8296 2.8296 5.0493 5.0493 5.5856 5.5856 5.9524 5.9524 6.0950 6.0950 6.3423 6.3423 6.4137 6.4137 6.4515 6.4515 6.6105 6.6105 6.7666 6.7666 6.8591 6.8591 7.2410 7.2410 7.4587 7.4587 12.1115 12.1115 12.8215 12.8215 14.0057 14.0057 15.5818 15.5818 15.7672 15.7672 k = 0.5431 0.1642 0.2745 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1325 2.1325 2.1387 2.1387 2.7396 2.7396 2.8002 2.8002 2.8296 2.8296 5.0599 5.0599 5.6039 5.6039 5.9552 5.9552 6.0842 6.0842 6.3373 6.3373 6.4177 6.4177 6.4454 6.4454 6.6105 6.6105 6.7794 6.7794 6.8613 6.8613 7.2676 7.2676 7.4695 7.4695 11.9019 11.9019 12.7033 12.7033 13.9425 13.9425 15.7337 15.7337 15.9073 15.9073 k = 0.5474 0.1518 0.2816 ( 3766 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1322 2.1322 2.1384 2.1384 2.7387 2.7387 2.7994 2.7994 2.8299 2.8299 5.0712 5.0712 5.6229 5.6229 5.9583 5.9583 6.0733 6.0733 6.3304 6.3304 6.4218 6.4218 6.4416 6.4416 6.6116 6.6116 6.7918 6.7918 6.8644 6.8644 7.2951 7.2951 7.4829 7.4829 11.6936 11.6936 12.5867 12.5867 13.8823 13.8823 15.8878 15.8878 16.0514 16.0514 k = 0.5517 0.1394 0.2886 ( 3770 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1319 2.1319 2.1382 2.1382 2.7378 2.7378 2.7983 2.7983 2.8305 2.8305 5.0831 5.0831 5.6420 5.6420 5.9619 5.9619 6.0621 6.0621 6.3214 6.3214 6.4259 6.4259 6.4399 6.4399 6.6141 6.6141 6.8038 6.8038 6.8685 6.8685 7.3227 7.3227 7.4994 7.4994 11.4870 11.4870 12.4720 12.4720 13.8252 13.8252 16.0437 16.0437 16.1996 16.1996 k = 0.5560 0.1269 0.2956 ( 3772 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1316 2.1316 2.1379 2.1379 2.7368 2.7368 2.7971 2.7971 2.8314 2.8314 5.0955 5.0955 5.6610 5.6610 5.9660 5.9660 6.0508 6.0508 6.3109 6.3109 6.4290 6.4290 6.4414 6.4414 6.6181 6.6181 6.8151 6.8151 6.8736 6.8736 7.3498 7.3498 7.5199 7.5199 11.2826 11.2826 12.3594 12.3594 13.7709 13.7709 16.2013 16.2013 16.3517 16.3517 k = 0.5603 0.1145 0.3027 ( 3774 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1313 2.1313 2.1376 2.1376 2.7359 2.7359 2.7956 2.7956 2.8325 2.8325 5.1082 5.1082 5.6795 5.6795 5.9706 5.9706 6.0397 6.0397 6.2989 6.2989 6.4291 6.4291 6.4473 6.4473 6.6238 6.6238 6.8259 6.8259 6.8799 6.8799 7.3759 7.3759 7.5449 7.5449 11.0807 11.0807 12.2493 12.2493 13.7196 13.7196 16.3605 16.3605 16.5075 16.5075 k = 0.5647 0.1020 0.3097 ( 3776 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1309 2.1309 2.1372 2.1372 2.7349 2.7349 2.7940 2.7940 2.8339 2.8339 5.1211 5.1211 5.6971 5.6971 5.9757 5.9757 6.0288 6.0288 6.2861 6.2861 6.4274 6.4274 6.4565 6.4565 6.6312 6.6312 6.8359 6.8359 6.8875 6.8875 7.4006 7.4006 7.5750 7.5750 10.8817 10.8817 12.1417 12.1417 13.6710 13.6710 16.5211 16.5211 16.6665 16.6665 k = 0.5690 0.0896 0.3167 ( 3772 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1306 2.1306 2.1369 2.1369 2.7340 2.7340 2.7922 2.7922 2.8356 2.8356 5.1340 5.1340 5.7135 5.7135 5.9813 5.9813 6.0182 6.0182 6.2726 6.2726 6.4246 6.4246 6.4680 6.4680 6.6401 6.6401 6.8451 6.8451 6.8965 6.8965 7.4244 7.4244 7.6100 7.6100 10.6859 10.6859 12.0369 12.0369 13.6252 13.6252 16.6832 16.6832 16.8279 16.8279 k = 0.5733 0.0771 0.3238 ( 3772 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1302 2.1302 2.1365 2.1365 2.7331 2.7331 2.7903 2.7903 2.8374 2.8374 5.1467 5.1467 5.7285 5.7285 5.9867 5.9867 6.0085 6.0085 6.2587 6.2587 6.4213 6.4213 6.4813 6.4813 6.6502 6.6502 6.8535 6.8535 6.9067 6.9067 7.4478 7.4478 7.6494 7.6494 10.4935 10.4935 11.9350 11.9350 13.5820 13.5820 16.8463 16.8463 16.9906 16.9906 k = 0.5776 0.0647 0.3308 ( 3772 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1298 2.1298 2.1361 2.1361 2.7322 2.7322 2.7883 2.7883 2.8393 2.8393 5.1591 5.1591 5.7420 5.7420 5.9888 5.9888 6.0027 6.0027 6.2445 6.2445 6.4176 6.4176 6.4959 6.4959 6.6613 6.6613 6.8611 6.8611 6.9181 6.9181 7.4718 7.4718 7.6929 7.6929 10.3048 10.3048 11.8362 11.8362 13.5412 13.5412 17.0089 17.0089 17.1513 17.1513 k = 0.5819 0.0523 0.3379 ( 3778 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1294 2.1294 2.1357 2.1357 2.7313 2.7313 2.7863 2.7863 2.8414 2.8414 5.1711 5.1711 5.7538 5.7538 5.9823 5.9823 6.0061 6.0061 6.2303 6.2303 6.4138 6.4138 6.5116 6.5116 6.6732 6.6732 6.8682 6.8682 6.9304 6.9304 7.4972 7.4972 7.7396 7.7396 10.1203 10.1203 11.7407 11.7407 13.5029 13.5029 17.1638 17.1638 17.2985 17.2985 k = 0.5862 0.0398 0.3449 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1290 2.1290 2.1352 2.1352 2.7306 2.7306 2.7842 2.7842 2.8435 2.8435 5.1824 5.1824 5.7639 5.7639 5.9729 5.9729 6.0130 6.0130 6.2161 6.2161 6.4102 6.4102 6.5279 6.5279 6.6855 6.6855 6.8749 6.8749 6.9434 6.9434 7.5250 7.5250 7.7891 7.7891 9.9404 9.9404 11.6485 11.6485 13.4670 13.4670 17.2472 17.2472 17.4091 17.4091 k = 0.5905 0.0274 0.3519 ( 3781 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1286 2.1286 2.1348 2.1348 2.7299 2.7299 2.7822 2.7822 2.8458 2.8458 5.1929 5.1929 5.7724 5.7724 5.9631 5.9631 6.0208 6.0208 6.2022 6.2022 6.4070 6.4070 6.5446 6.5446 6.6980 6.6980 6.8813 6.8813 6.9567 6.9567 7.5559 7.5559 7.8408 7.8408 9.7657 9.7657 11.5600 11.5600 13.4333 13.4333 17.1619 17.1619 17.5542 17.5542 k = 0.5948 0.0149 0.3590 ( 3787 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1283 2.1283 2.1343 2.1343 2.7293 2.7293 2.7802 2.7802 2.8480 2.8480 5.2025 5.2025 5.7790 5.7790 5.9533 5.9533 6.0289 6.0289 6.1887 6.1887 6.4042 6.4042 6.5612 6.5612 6.7103 6.7103 6.8875 6.8875 6.9700 6.9700 7.5904 7.5904 7.8940 7.8940 9.5969 9.5969 11.4753 11.4753 13.4018 13.4018 17.0236 17.0236 17.7217 17.7217 k = 0.5991 0.0025 0.3660 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1279 2.1279 2.1339 2.1339 2.7287 2.7287 2.7782 2.7782 2.8503 2.8503 5.2110 5.2110 5.7838 5.7838 5.9438 5.9438 6.0371 6.0371 6.1759 6.1759 6.4021 6.4021 6.5773 6.5773 6.7222 6.7222 6.8937 6.8937 6.9830 6.9830 7.6292 7.6292 7.9481 7.9481 9.4352 9.4352 11.3944 11.3944 13.3724 13.3724 16.8759 16.8759 17.8947 17.8947 k = 0.6034-0.0100 0.3731 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1276 2.1276 2.1335 2.1335 2.7283 2.7283 2.7763 2.7763 2.8525 2.8525 5.2184 5.2184 5.7862 5.7862 5.9349 5.9349 6.0452 6.0452 6.1639 6.1639 6.4008 6.4008 6.5926 6.5926 6.7334 6.7334 6.8999 6.8999 6.9955 6.9955 7.6725 7.6725 8.0017 8.0017 9.2821 9.2821 11.3176 11.3176 13.3449 13.3449 16.7266 16.7266 18.0696 18.0696 k = 0.6078-0.0224 0.3801 ( 3776 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1272 2.1272 2.1330 2.1330 2.7280 2.7280 2.7744 2.7744 2.8547 2.8547 5.2246 5.2246 5.7860 5.7860 5.9269 5.9269 6.0530 6.0530 6.1533 6.1533 6.4002 6.4002 6.6069 6.6069 6.7436 6.7436 6.9063 6.9063 7.0074 7.0074 7.7198 7.7198 8.0530 8.0530 9.1404 9.1404 11.2451 11.2451 13.3194 13.3194 16.5780 16.5780 18.2446 18.2446 k = 0.6121-0.0348 0.3871 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1269 2.1269 2.1326 2.1326 2.7277 2.7277 2.7726 2.7726 2.8568 2.8568 5.2295 5.2295 5.7826 5.7826 5.9202 5.9202 6.0603 6.0603 6.1442 6.1442 6.4005 6.4005 6.6199 6.6199 6.7523 6.7523 6.9129 6.9129 7.0186 7.0186 7.7704 7.7704 8.0992 8.0992 9.0140 9.0140 11.1770 11.1770 13.2957 13.2957 16.4312 16.4312 18.4176 18.4176 k = 0.6164-0.0473 0.3942 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1267 2.1267 2.1322 2.1322 2.7275 2.7275 2.7709 2.7709 2.8589 2.8589 5.2331 5.2331 5.7755 5.7755 5.9150 5.9150 6.0667 6.0667 6.1375 6.1375 6.4018 6.4018 6.6314 6.6314 6.7593 6.7593 6.9196 6.9196 7.0292 7.0292 7.8218 7.8218 8.1364 8.1364 8.9097 8.9097 11.1134 11.1134 13.2738 13.2738 16.2866 16.2866 18.5850 18.5850 k = 0.6207-0.0597 0.4012 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1264 2.1264 2.1318 2.1318 2.7274 2.7274 2.7694 2.7694 2.8608 2.8608 5.2353 5.2353 5.7644 5.7644 5.9114 5.9114 6.0718 6.0718 6.1336 6.1336 6.4040 6.4040 6.6414 6.6414 6.7644 6.7644 6.9264 6.9264 7.0395 7.0395 7.8686 7.8686 8.1616 8.1616 8.8363 8.8363 11.0546 11.0546 13.2536 13.2536 16.1444 16.1444 18.7379 18.7380 k = 0.6250-0.0722 0.4082 ( 3799 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1262 2.1262 2.1315 2.1315 2.7274 2.7274 2.7679 2.7679 2.8627 2.8627 5.2361 5.2361 5.7494 5.7494 5.9091 5.9091 6.0756 6.0756 6.1328 6.1328 6.4071 6.4071 6.6498 6.6498 6.7674 6.7674 6.9329 6.9329 7.0499 7.0499 7.8980 7.8980 8.1797 8.1797 8.8015 8.8015 11.0007 11.0007 13.2349 13.2349 16.0049 16.0049 18.8485 18.8485 k = 0.6250-0.0722 0.4082 ( 3799 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1262 2.1262 2.1315 2.1315 2.7274 2.7274 2.7679 2.7679 2.8627 2.8627 5.2361 5.2361 5.7494 5.7494 5.9091 5.9091 6.0756 6.0756 6.1328 6.1328 6.4071 6.4071 6.6498 6.6498 6.7674 6.7674 6.9329 6.9329 7.0499 7.0499 7.8980 7.8980 8.1797 8.1797 8.8015 8.8015 11.0007 11.0007 13.2349 13.2349 16.0049 16.0049 18.8485 18.8485 k = 0.6176-0.0679 0.4203 ( 3795 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1263 2.1263 2.1314 2.1314 2.7273 2.7273 2.7680 2.7680 2.8626 2.8626 5.2365 5.2365 5.7500 5.7500 5.9089 5.9089 6.0744 6.0744 6.1334 6.1334 6.4088 6.4088 6.6497 6.6497 6.7665 6.7665 6.9325 6.9325 7.0487 7.0487 7.9001 7.9001 8.1825 8.1825 8.8018 8.8018 10.9816 10.9816 13.2569 13.2569 16.0061 16.0061 18.8024 18.8024 k = 0.6103-0.0637 0.4323 ( 3797 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1263 2.1263 2.1314 2.1314 2.7269 2.7269 2.7686 2.7686 2.8624 2.8624 5.2375 5.2375 5.7516 5.7516 5.9083 5.9083 6.0711 6.0711 6.1353 6.1353 6.4137 6.4137 6.6494 6.6494 6.7638 6.7638 6.9310 6.9310 7.0452 7.0452 7.9062 7.9062 8.1909 8.1909 8.8030 8.8030 10.9265 10.9265 13.3207 13.3207 16.0099 16.0099 18.6817 18.6817 k = 0.6029-0.0594 0.4443 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1264 2.1264 2.1314 2.1314 2.7263 2.7263 2.7694 2.7694 2.8620 2.8620 5.2394 5.2394 5.7542 5.7542 5.9072 5.9072 6.0661 6.0661 6.1386 6.1386 6.4215 6.4215 6.6489 6.6489 6.7594 6.7594 6.9283 6.9283 7.0403 7.0403 7.9160 7.9160 8.2049 8.2049 8.8049 8.8049 10.8409 10.8409 13.4208 13.4208 16.0162 16.0162 18.5183 18.5183 k = 0.5956-0.0552 0.4563 ( 3792 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1265 2.1265 2.1313 2.1313 2.7256 2.7256 2.7704 2.7704 2.8614 2.8614 5.2418 5.2418 5.7578 5.7578 5.9052 5.9052 6.0600 6.0600 6.1433 6.1433 6.4314 6.4314 6.6479 6.6479 6.7532 6.7532 6.9237 6.9237 7.0347 7.0347 7.9292 7.9292 8.2244 8.2244 8.8077 8.8077 10.7314 10.7314 13.5505 13.5505 16.0249 16.0249 18.3455 18.3455 k = 0.5882-0.0509 0.4683 ( 3797 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1266 2.1266 2.1313 2.1313 2.7246 2.7246 2.7717 2.7717 2.8607 2.8607 5.2449 5.2449 5.7622 5.7622 5.9024 5.9024 6.0533 6.0533 6.1497 6.1497 6.4429 6.4429 6.6464 6.6464 6.7455 6.7455 6.9169 6.9169 7.0295 7.0295 7.9455 7.9455 8.2493 8.2493 8.8113 8.8113 10.6045 10.6045 13.7035 13.7035 16.0362 16.0362 18.1704 18.1704 k = 0.5809-0.0467 0.4803 ( 3789 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1268 2.1268 2.1312 2.1312 2.7237 2.7237 2.7732 2.7732 2.8600 2.8600 5.2485 5.2485 5.7675 5.7675 5.8986 5.8986 6.0465 6.0465 6.1582 6.1582 6.4552 6.4552 6.6440 6.6440 6.7365 6.7365 6.9079 6.9079 7.0255 7.0255 7.9644 7.9644 8.2793 8.2793 8.8158 8.8158 10.4656 10.4656 13.8745 13.8745 16.0501 16.0501 17.9951 17.9951 k = 0.5735-0.0425 0.4923 ( 3787 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1269 2.1269 2.1311 2.1311 2.7226 2.7226 2.7747 2.7747 2.8591 2.8591 5.2525 5.2525 5.7733 5.7733 5.8936 5.8936 6.0401 6.0401 6.1690 6.1690 6.4678 6.4678 6.6403 6.6403 6.7267 6.7267 6.8971 6.8971 7.0232 7.0232 7.9856 7.9856 8.3142 8.3142 8.8213 8.8213 10.3186 10.3186 14.0595 14.0595 16.0666 16.0666 17.8203 17.8203 k = 0.5662-0.0382 0.5043 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1271 2.1271 2.1310 2.1310 2.7216 2.7216 2.7763 2.7763 2.8581 2.8581 5.2569 5.2569 5.7795 5.7795 5.8877 5.8877 6.0340 6.0340 6.1821 6.1821 6.4799 6.4799 6.6344 6.6344 6.7168 6.7168 6.8852 6.8852 7.0222 7.0222 8.0090 8.0090 8.3536 8.3536 8.8278 8.8278 10.1667 10.1667 14.2554 14.2554 16.0857 16.0857 17.6467 17.6467 k = 0.5588-0.0340 0.5163 ( 3789 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1273 2.1273 2.1308 2.1308 2.7206 2.7206 2.7778 2.7778 2.8571 2.8571 5.2615 5.2615 5.7862 5.7862 5.8811 5.8811 6.0285 6.0285 6.1979 6.1979 6.4910 6.4910 6.6254 6.6254 6.7078 6.7078 6.8733 6.8733 7.0224 7.0224 8.0345 8.0345 8.3973 8.3973 8.8355 8.8355 10.0122 10.0122 14.4601 14.4601 16.1076 16.1076 17.4747 17.4747 k = 0.5515-0.0297 0.5283 ( 3790 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1275 2.1275 2.1307 2.1307 2.7197 2.7197 2.7794 2.7794 2.8561 2.8561 5.2662 5.2662 5.7930 5.7930 5.8742 5.8742 6.0233 6.0233 6.2163 6.2163 6.5004 6.5004 6.6127 6.6127 6.7006 6.7006 6.8620 6.8620 7.0234 7.0234 8.0619 8.0619 8.4446 8.4446 8.8444 8.8444 9.8570 9.8570 14.6718 14.6718 16.1323 16.1323 17.3044 17.3044 k = 0.5441-0.0255 0.5403 ( 3789 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1277 2.1277 2.1306 2.1306 2.7188 2.7188 2.7808 2.7808 2.8552 2.8552 5.2708 5.2708 5.7998 5.7998 5.8673 5.8673 6.0184 6.0184 6.2371 6.2371 6.5072 6.5072 6.5967 6.5967 6.6958 6.6958 6.8519 6.8519 7.0248 7.0248 8.0909 8.0909 8.4953 8.4953 8.8547 8.8547 9.7027 9.7027 14.8891 14.8891 16.1600 16.1600 17.1361 17.1361 k = 0.5368-0.0212 0.5523 ( 3785 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1279 2.1279 2.1304 2.1304 2.7181 2.7181 2.7821 2.7821 2.8543 2.8543 5.2751 5.2751 5.8065 5.8065 5.8607 5.8607 6.0139 6.0139 6.2603 6.2603 6.5095 6.5095 6.5797 6.5797 6.6930 6.6930 6.8434 6.8434 7.0263 7.0263 8.1212 8.1212 8.5489 8.5489 8.8665 8.8665 9.5509 9.5509 15.1107 15.1107 16.1910 16.1910 16.9700 16.9700 k = 0.5294-0.0170 0.5643 ( 3787 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1281 2.1281 2.1303 2.1303 2.7175 2.7175 2.7832 2.7832 2.8535 2.8535 5.2791 5.2791 5.8129 5.8129 5.8547 5.8547 6.0097 6.0097 6.2855 6.2855 6.5043 6.5043 6.5657 6.5657 6.6917 6.6917 6.8364 6.8364 7.0277 7.0277 8.1522 8.1522 8.6049 8.6049 8.8799 8.8799 9.4033 9.4033 15.3351 15.3351 16.2258 16.2258 16.8063 16.8063 k = 0.5221-0.0127 0.5764 ( 3790 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1283 2.1283 2.1301 2.1301 2.7170 2.7170 2.7841 2.7841 2.8528 2.8528 5.2824 5.2824 5.8188 5.8188 5.8494 5.8494 6.0061 6.0061 6.3123 6.3123 6.4889 6.4889 6.5581 6.5581 6.6912 6.6912 6.8311 6.8311 7.0289 7.0289 8.1828 8.1828 8.6624 8.6624 8.8952 8.8952 9.2623 9.2623 15.5606 15.5606 16.2655 16.2655 16.6451 16.6451 k = 0.5147-0.0085 0.5884 ( 3790 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1284 2.1284 2.1300 2.1300 2.7166 2.7166 2.7848 2.7848 2.8523 2.8523 5.2850 5.2850 5.8243 5.8243 5.8448 5.8448 6.0032 6.0032 6.3400 6.3400 6.4663 6.4663 6.5555 6.5555 6.6913 6.6913 6.8273 6.8273 7.0299 7.0299 8.2108 8.2108 8.7199 8.7199 8.9126 8.9126 9.1319 9.1319 15.7835 15.7835 16.3117 16.3117 16.4872 16.4872 k = 0.5074-0.0042 0.6004 ( 3778 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1285 2.1285 2.1299 2.1299 2.7164 2.7164 2.7852 2.7852 2.8520 2.8520 5.2866 5.2866 5.8295 5.8295 5.8405 5.8405 6.0012 6.0012 6.3667 6.3667 6.4417 6.4417 6.5548 6.5548 6.6916 6.6916 6.8251 6.8251 7.0305 7.0305 8.2327 8.2327 8.7722 8.7722 8.9325 8.9325 9.0210 9.0210 15.9951 15.9951 16.3219 16.3219 16.3805 16.3805 k = 0.5000 0.0000 0.6124 ( 3736 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2381 -31.2381 -31.2380 -31.2380 2.1286 2.1286 2.1299 2.1299 2.7163 2.7163 2.7853 2.7853 2.8520 2.8520 5.2873 5.2873 5.8330 5.8330 5.8376 5.8376 6.0007 6.0007 6.3822 6.3822 6.4270 6.4270 6.5548 6.5548 6.6919 6.6919 6.8246 6.8246 7.0309 7.0309 8.2421 8.2421 8.7989 8.7989 8.9547 8.9547 8.9573 8.9573 16.1734 16.1734 16.1742 16.1742 16.4318 16.4318 k = 0.5000 0.0000 0.6124 ( 3736 PWs) bands (ev): -64.5857 -64.5857 -31.5258 -31.5258 -31.2381 -31.2381 -31.2380 -31.2380 2.1286 2.1286 2.1299 2.1299 2.7163 2.7163 2.7853 2.7853 2.8520 2.8520 5.2873 5.2873 5.8330 5.8330 5.8376 5.8376 6.0007 6.0007 6.3822 6.3822 6.4270 6.4270 6.5548 6.5548 6.6919 6.6919 6.8246 6.8246 7.0309 7.0309 8.2421 8.2421 8.7989 8.7989 8.9547 8.9547 8.9573 8.9573 16.1734 16.1734 16.1742 16.1742 16.4318 16.4318 k = 0.5000 0.0085 0.6004 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1285 2.1285 2.1300 2.1300 2.7164 2.7164 2.7853 2.7853 2.8518 2.8518 5.2866 5.2866 5.8307 5.8307 5.8400 5.8400 6.0008 6.0008 6.3815 6.3815 6.4268 6.4268 6.5544 6.5544 6.6910 6.6910 6.8244 6.8244 7.0303 7.0303 8.2314 8.2314 8.7439 8.7439 8.9657 8.9657 9.0201 9.0201 16.1393 16.1393 16.1523 16.1523 16.4626 16.4626 k = 0.5000 0.0170 0.5884 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1285 2.1285 2.1302 2.1302 2.7166 2.7166 2.7854 2.7854 2.8516 2.8516 5.2848 5.2848 5.8273 5.8273 5.8444 5.8444 6.0014 6.0014 6.3798 6.3798 6.4269 6.4269 6.5538 6.5538 6.6887 6.6887 6.8244 6.8244 7.0290 7.0290 8.2021 8.2021 8.6498 8.6498 9.0083 9.0083 9.1257 9.1257 16.0724 16.0724 16.0898 16.0898 16.5337 16.5337 k = 0.5000 0.0255 0.5764 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1284 2.1284 2.1304 2.1304 2.7169 2.7169 2.7856 2.7856 2.8512 2.8512 5.2819 5.2819 5.8240 5.8240 5.8494 5.8494 6.0024 6.0024 6.3771 6.3771 6.4270 6.4270 6.5527 6.5527 6.6850 6.6850 6.8243 6.8243 7.0270 7.0270 8.1597 8.1597 8.5522 8.5522 9.0733 9.0733 9.2421 9.2421 15.9935 15.9935 16.0117 16.0117 16.6215 16.6215 k = 0.5000 0.0340 0.5643 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1283 2.1283 2.1308 2.1308 2.7174 2.7174 2.7858 2.7858 2.8506 2.8506 5.2779 5.2779 5.8207 5.8207 5.8550 5.8550 6.0038 6.0038 6.3734 6.3734 6.4270 6.4270 6.5512 6.5512 6.6800 6.6800 6.8243 6.8243 7.0241 7.0241 8.1096 8.1096 8.4564 8.4564 9.1550 9.1550 9.3642 9.3642 15.9091 15.9091 15.9304 15.9304 16.7173 16.7173 k = 0.5000 0.0425 0.5523 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1283 2.1283 2.1311 2.1311 2.7180 2.7180 2.7860 2.7860 2.8498 2.8498 5.2727 5.2727 5.8173 5.8173 5.8612 5.8612 6.0055 6.0055 6.3689 6.3689 6.4268 6.4268 6.5492 6.5492 6.6738 6.6738 6.8242 6.8242 7.0205 7.0205 8.0558 8.0558 8.3637 8.3637 9.2493 9.2493 9.4906 9.4906 15.8219 15.8219 15.8504 15.8504 16.8181 16.8181 k = 0.5000 0.0509 0.5403 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1283 2.1283 2.1315 2.1315 2.7188 2.7188 2.7864 2.7864 2.8489 2.8489 5.2665 5.2665 5.8138 5.8138 5.8680 5.8680 6.0074 6.0074 6.3637 6.3637 6.4266 6.4266 6.5467 6.5467 6.6667 6.6667 6.8240 6.8240 7.0160 7.0160 8.0012 8.0012 8.2747 8.2747 9.3534 9.3534 9.6207 9.6207 15.7341 15.7341 15.7726 15.7726 16.9228 16.9228 k = 0.5000 0.0594 0.5283 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1283 2.1283 2.1320 2.1320 2.7196 2.7196 2.7868 2.7868 2.8479 2.8479 5.2592 5.2592 5.8100 5.8100 5.8754 5.8754 6.0094 6.0094 6.3580 6.3580 6.4261 6.4261 6.5436 6.5436 6.6589 6.6589 6.8239 6.8239 7.0107 7.0107 7.9473 7.9473 8.1896 8.1896 9.4654 9.4654 9.7543 9.7543 15.6471 15.6471 15.6971 15.6971 17.0308 17.0308 k = 0.5000 0.0679 0.5163 ( 3776 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1284 2.1284 2.1324 2.1324 2.7206 2.7206 2.7872 2.7872 2.8467 2.8467 5.2510 5.2510 5.8058 5.8058 5.8833 5.8833 6.0114 6.0114 6.3519 6.3519 6.4255 6.4255 6.5399 6.5399 6.6508 6.6508 6.8237 6.8237 7.0046 7.0046 7.8952 7.8952 8.1086 8.1086 9.5842 9.5842 9.8911 9.8911 15.5618 15.5618 15.6240 15.6240 17.1417 17.1417 k = 0.5000 0.0764 0.5043 ( 3776 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1285 2.1285 2.1329 2.1329 2.7216 2.7216 2.7878 2.7878 2.8455 2.8455 5.2418 5.2418 5.8011 5.8011 5.8916 5.8916 6.0132 6.0132 6.3456 6.3456 6.4246 6.4246 6.5355 6.5355 6.6426 6.6426 6.8233 6.8233 6.9976 6.9976 7.8455 7.8455 8.0316 8.0316 9.7089 9.7089 10.0310 10.0310 15.4784 15.4784 15.5534 15.5534 17.2555 17.2555 k = 0.5000 0.0849 0.4923 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1287 2.1287 2.1334 2.1334 2.7227 2.7227 2.7884 2.7884 2.8442 2.8442 5.2319 5.2319 5.7957 5.7957 5.9004 5.9004 6.0149 6.0149 6.3394 6.3394 6.4235 6.4235 6.5304 6.5304 6.6347 6.6347 6.8229 6.8229 6.9899 6.9899 7.7987 7.7987 7.9587 7.9587 9.8390 9.8390 10.1738 10.1738 15.3974 15.3974 15.4852 15.4852 17.3718 17.3718 k = 0.5000 0.0934 0.4803 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1289 2.1289 2.1338 2.1338 2.7239 2.7239 2.7891 2.7891 2.8428 2.8428 5.2211 5.2211 5.7894 5.7894 5.9095 5.9095 6.0162 6.0162 6.3336 6.3336 6.4223 6.4223 6.5245 6.5245 6.6273 6.6273 6.8224 6.8224 6.9815 6.9815 7.7547 7.7547 7.8900 7.8900 9.9739 9.9739 10.3195 10.3195 15.3190 15.3190 15.4195 15.4195 17.4906 17.4906 k = 0.5000 0.1019 0.4683 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1291 2.1291 2.1343 2.1343 2.7251 2.7251 2.7899 2.7899 2.8413 2.8413 5.2097 5.2097 5.7821 5.7821 5.9188 5.9188 6.0172 6.0172 6.3283 6.3283 6.4209 6.4209 6.5179 6.5179 6.6208 6.6208 6.8217 6.8217 6.9724 6.9724 7.7136 7.7136 7.8256 7.8256 10.1136 10.1136 10.4680 10.4680 15.2432 15.2432 15.3565 15.3565 17.6118 17.6118 k = 0.5000 0.1104 0.4563 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1293 2.1293 2.1348 2.1348 2.7264 2.7264 2.7907 2.7907 2.8398 2.8398 5.1977 5.1977 5.7737 5.7737 5.9282 5.9282 6.0178 6.0178 6.3240 6.3240 6.4193 6.4193 6.5108 6.5108 6.6153 6.6153 6.8209 6.8209 6.9627 6.9627 7.6750 7.6750 7.7655 7.7655 10.2576 10.2576 10.6190 10.6190 15.1702 15.1702 15.2961 15.2961 17.7352 17.7352 k = 0.5000 0.1189 0.4443 ( 3778 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1296 2.1296 2.1352 2.1352 2.7278 2.7278 2.7916 2.7916 2.8384 2.8384 5.1852 5.1852 5.7640 5.7640 5.9372 5.9372 6.0184 6.0184 6.3208 6.3208 6.4176 6.4176 6.5032 6.5032 6.6107 6.6107 6.8199 6.8199 6.9525 6.9525 7.6383 7.6383 7.7104 7.7104 10.4057 10.4057 10.7726 10.7726 15.1001 15.1001 15.2383 15.2383 17.8604 17.8604 k = 0.5000 0.1274 0.4323 ( 3776 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1299 2.1299 2.1357 2.1357 2.7291 2.7291 2.7926 2.7926 2.8369 2.8369 5.1724 5.1724 5.7528 5.7528 5.9456 5.9456 6.0191 6.0191 6.3189 6.3189 6.4159 6.4159 6.4954 6.4954 6.6070 6.6070 6.8187 6.8187 6.9418 6.9418 7.6019 7.6019 7.6613 7.6613 10.5579 10.5579 10.9286 10.9286 15.0330 15.0330 15.1832 15.1832 17.9859 17.9859 k = 0.5000 0.1358 0.4203 ( 3768 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1302 2.1302 2.1361 2.1361 2.7304 2.7304 2.7936 2.7936 2.8355 2.8355 5.1593 5.1593 5.7402 5.7402 5.9528 5.9528 6.0207 6.0207 6.3185 6.3185 6.4143 6.4143 6.4877 6.4877 6.6044 6.6044 6.8172 6.8172 6.9309 6.9309 7.5642 7.5642 7.6199 7.6199 10.7138 10.7138 11.0869 11.0869 14.9690 14.9690 15.1307 15.1307 18.0942 18.0942 k = 0.5000 0.1443 0.4082 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1305 2.1305 2.1365 2.1365 2.7317 2.7317 2.7947 2.7947 2.8342 2.8342 5.1459 5.1459 5.7261 5.7261 5.9581 5.9581 6.0237 6.0237 6.3194 6.3194 6.4127 6.4127 6.4800 6.4800 6.6024 6.6024 6.8152 6.8152 6.9198 6.9198 7.5241 7.5241 7.5866 7.5866 10.8733 10.8733 11.2474 11.2474 14.9083 14.9083 15.0810 15.0810 18.0284 18.0284 k = 0.5000 0.1528 0.3962 ( 3772 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1308 2.1308 2.1369 2.1369 2.7330 2.7330 2.7957 2.7957 2.8330 2.8330 5.1326 5.1326 5.7107 5.7107 5.9614 5.9614 6.0287 6.0287 6.3216 6.3216 6.4116 6.4116 6.4727 6.4727 6.6013 6.6013 6.8127 6.8127 6.9090 6.9090 7.4830 7.4830 7.5598 7.5598 11.0364 11.0364 11.4099 11.4099 14.8508 14.8508 15.0340 15.0340 17.8685 17.8685 k = 0.5000 0.1613 0.3842 ( 3768 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1311 2.1311 2.1373 2.1373 2.7342 2.7342 2.7968 2.7968 2.8319 2.8319 5.1194 5.1194 5.6939 5.6939 5.9625 5.9625 6.0357 6.0357 6.3248 6.3248 6.4109 6.4109 6.4658 6.4658 6.6009 6.6009 6.8094 6.8094 6.8985 6.8985 7.4426 7.4426 7.5376 7.5376 11.2028 11.2028 11.5742 11.5742 14.7966 14.7966 14.9898 14.9898 17.6769 17.6769 k = 0.5000 0.1698 0.3722 ( 3768 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1314 2.1314 2.1376 2.1376 2.7354 2.7354 2.7978 2.7978 2.8310 2.8310 5.1063 5.1063 5.6762 5.6762 5.9621 5.9621 6.0443 6.0443 6.3287 6.3287 6.4108 6.4108 6.4596 6.4596 6.6010 6.6010 6.8051 6.8051 6.8887 6.8887 7.4037 7.4037 7.5186 7.5186 11.3724 11.3724 11.7403 11.7403 14.7460 14.7460 14.9483 14.9483 17.4700 17.4700 k = 0.5000 0.1783 0.3602 ( 3768 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1317 2.1317 2.1379 2.1379 2.7366 2.7366 2.7987 2.7987 2.8302 2.8302 5.0936 5.0936 5.6577 5.6577 5.9606 5.9606 6.0540 6.0540 6.3329 6.3329 6.4115 6.4115 6.4541 6.4541 6.6016 6.6016 6.7996 6.7996 6.8800 6.8800 7.3667 7.3667 7.5022 7.5022 11.5450 11.5450 11.9078 11.9078 14.6991 14.6991 14.9095 14.9095 17.2507 17.2507 k = 0.5000 0.1868 0.3482 ( 3766 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1320 2.1320 2.1382 2.1382 2.7377 2.7377 2.7995 2.7995 2.8297 2.8297 5.0813 5.0813 5.6388 5.6388 5.9586 5.9586 6.0644 6.0644 6.3370 6.3370 6.4127 6.4127 6.4499 6.4499 6.6027 6.6027 6.7926 6.7926 6.8727 6.8727 7.3318 7.3318 7.4881 7.4881 11.7204 11.7204 12.0766 12.0766 14.6559 14.6559 14.8735 14.8735 17.0204 17.0204 k = 0.5000 0.1953 0.3362 ( 3760 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1323 2.1323 2.1385 2.1385 2.7387 2.7387 2.8001 2.8001 2.8294 2.8294 5.0695 5.0695 5.6198 5.6198 5.9563 5.9563 6.0751 6.0751 6.3406 6.3406 6.4138 6.4138 6.4477 6.4477 6.6042 6.6042 6.7841 6.7841 6.8670 6.8670 7.2990 7.2990 7.4758 7.4758 11.8984 11.8984 12.2462 12.2462 14.6167 14.6167 14.8403 14.8403 16.7856 16.7856 k = 0.5000 0.2038 0.3242 ( 3770 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1325 2.1325 2.1387 2.1387 2.7396 2.7396 2.8006 2.8006 2.8294 2.8294 5.0584 5.0584 5.6012 5.6012 5.9539 5.9539 6.0858 6.0858 6.3435 6.3435 6.4137 6.4137 6.4487 6.4487 6.6060 6.6060 6.7741 6.7741 6.8626 6.8626 7.2684 7.2684 7.4652 7.4652 12.0786 12.0786 12.4162 12.4162 14.5818 14.5818 14.8098 14.8098 16.5509 16.5509 k = 0.5000 0.2123 0.3122 ( 3772 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1327 2.1327 2.1389 2.1389 2.7404 2.7404 2.8010 2.8010 2.8295 2.8295 5.0480 5.0480 5.5832 5.5832 5.9516 5.9516 6.0963 6.0963 6.3457 6.3457 6.4119 6.4119 6.4534 6.4534 6.6080 6.6080 6.7630 6.7630 6.8597 6.8597 7.2401 7.2401 7.4561 7.4561 12.2607 12.2607 12.5862 12.5862 14.5514 14.5514 14.7821 14.7821 16.3184 16.3184 k = 0.5000 0.2208 0.3002 ( 3776 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1329 2.1329 2.1391 2.1391 2.7412 2.7412 2.8012 2.8012 2.8298 2.8298 5.0385 5.0385 5.5662 5.5662 5.9495 5.9495 6.1064 6.1064 6.3472 6.3472 6.4088 6.4088 6.4610 6.4610 6.6103 6.6103 6.7509 6.7509 6.8578 6.8578 7.2141 7.2141 7.4483 7.4483 12.4440 12.4440 12.7552 12.7552 14.5261 14.5261 14.7570 14.7570 16.0891 16.0891 k = 0.5000 0.2292 0.2882 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1331 2.1331 2.1393 2.1393 2.7419 2.7419 2.8013 2.8013 2.8302 2.8302 5.0298 5.0298 5.5505 5.5505 5.9476 5.9476 6.1159 6.1159 6.3482 6.3482 6.4050 6.4050 6.4706 6.4706 6.6127 6.6127 6.7383 6.7383 6.8568 6.8568 7.1906 7.1906 7.4417 7.4417 12.6276 12.6276 12.9222 12.9222 14.5064 14.5064 14.7345 14.7345 15.8640 15.8640 k = 0.5000 0.2377 0.2762 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1333 2.1333 2.1394 2.1394 2.7425 2.7425 2.8013 2.8013 2.8307 2.8307 5.0222 5.0222 5.5364 5.5364 5.9460 5.9460 6.1247 6.1247 6.3487 6.3487 6.4010 6.4010 6.4814 6.4814 6.6152 6.6152 6.7254 6.7254 6.8565 6.8565 7.1696 7.1696 7.4362 7.4362 12.8101 12.8101 13.0857 13.0857 14.4934 14.4934 14.7144 14.7144 15.6445 15.6445 k = 0.5000 0.2462 0.2642 ( 3778 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1334 2.1334 2.1395 2.1395 2.7430 2.7430 2.8012 2.8012 2.8312 2.8312 5.0157 5.0157 5.5240 5.5240 5.9446 5.9446 6.1326 6.1326 6.3490 6.3490 6.3973 6.3973 6.4925 6.4925 6.6177 6.6177 6.7125 6.7125 6.8567 6.8567 7.1513 7.1513 7.4317 7.4317 12.9891 12.9891 13.2437 13.2437 14.4884 14.4884 14.6964 14.6964 15.4325 15.4325 k = 0.5000 0.2547 0.2522 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1335 2.1335 2.1396 2.1396 2.7434 2.7434 2.8012 2.8012 2.8317 2.8317 5.0102 5.0102 5.5136 5.5136 5.9435 5.9435 6.1394 6.1394 6.3490 6.3490 6.3939 6.3939 6.5033 6.5033 6.6204 6.6204 6.7001 6.7001 6.8572 6.8572 7.1360 7.1360 7.4281 7.4281 13.1604 13.1604 13.3935 13.3935 14.4932 14.4932 14.6796 14.6796 15.2316 15.2316 k = 0.5000 0.2632 0.2401 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1336 2.1336 2.1397 2.1397 2.7437 2.7437 2.8011 2.8011 2.8321 2.8321 5.0060 5.0060 5.5054 5.5054 5.9426 5.9426 6.1448 6.1448 6.3490 6.3490 6.3912 6.3912 6.5131 6.5131 6.6232 6.6232 6.6886 6.6886 6.8578 6.8578 7.1238 7.1238 7.4254 7.4254 13.3160 13.3160 13.5319 13.5319 14.5095 14.5095 14.6621 14.6621 15.0489 15.0489 k = 0.5000 0.2717 0.2281 ( 3788 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7440 2.7440 2.8010 2.8010 2.8324 2.8324 5.0029 5.0029 5.4994 5.4994 5.9420 5.9420 6.1489 6.1489 6.3489 6.3489 6.3891 6.3891 6.5211 6.5211 6.6259 6.6259 6.6787 6.6787 6.8583 6.8583 7.1148 7.1148 7.4234 7.4234 13.4431 13.4431 13.6541 13.6541 14.5365 14.5365 14.6396 14.6396 14.8991 14.8991 k = 0.5000 0.2802 0.2161 ( 3792 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7441 2.7441 2.8009 2.8009 2.8326 2.8326 5.0010 5.0010 5.4957 5.4957 5.9416 5.9416 6.1513 6.1513 6.3488 6.3488 6.3878 6.3878 6.5263 6.5263 6.6282 6.6282 6.6717 6.6717 6.8587 6.8587 7.1094 7.1094 7.4223 7.4223 13.5263 13.5263 13.7476 13.7476 14.5621 14.5621 14.6124 14.6124 14.8065 14.8065 k = 0.5000 0.2887 0.2041 ( 3798 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7441 2.7441 2.8009 2.8009 2.8327 2.8327 5.0004 5.0004 5.4945 5.4945 5.9414 5.9414 6.1521 6.1521 6.3487 6.3487 6.3874 6.3874 6.5282 6.5282 6.6291 6.6291 6.6691 6.6691 6.8588 6.8588 7.1076 7.1076 7.4219 7.4219 13.5550 13.5550 13.7851 13.7851 14.5628 14.5628 14.6068 14.6068 14.7786 14.7786 k = 0.5000 0.2887 0.2041 ( 3798 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7441 2.7441 2.8009 2.8009 2.8327 2.8327 5.0004 5.0004 5.4945 5.4945 5.9414 5.9414 6.1521 6.1521 6.3487 6.3487 6.3874 6.3874 6.5282 6.5282 6.6291 6.6291 6.6691 6.6691 6.8588 6.8588 7.1076 7.1076 7.4219 7.4219 13.5550 13.5550 13.7851 13.7851 14.5628 14.5628 14.6068 14.6068 14.7786 14.7786 k = 0.4957 0.2862 0.2182 ( 3794 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7441 2.7441 2.8009 2.8009 2.8326 2.8326 5.0010 5.0010 5.4958 5.4958 5.9416 5.9416 6.1513 6.1513 6.3488 6.3488 6.3878 6.3878 6.5263 6.5263 6.6282 6.6282 6.6718 6.6718 6.8587 6.8587 7.1094 7.1094 7.4223 7.4223 13.5254 13.5254 13.7466 13.7466 14.5599 14.5599 14.6152 14.6152 14.8067 14.8067 k = 0.4914 0.2837 0.2323 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1337 2.1337 2.1398 2.1398 2.7440 2.7440 2.8010 2.8010 2.8324 2.8324 5.0030 5.0030 5.4995 5.4995 5.9420 5.9420 6.1488 6.1488 6.3489 6.3489 6.3892 6.3892 6.5209 6.5209 6.6258 6.6258 6.6790 6.6790 6.8583 6.8583 7.1151 7.1151 7.4235 7.4235 13.4387 13.4387 13.6528 13.6528 14.5121 14.5121 14.6755 14.6755 14.8880 14.8880 k = 0.4871 0.2812 0.2464 ( 3784 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1336 2.1336 2.1397 2.1397 2.7437 2.7437 2.8011 2.8011 2.8321 2.8321 5.0061 5.0061 5.5057 5.5057 5.9426 5.9426 6.1446 6.1446 6.3490 6.3490 6.3913 6.3913 6.5127 6.5127 6.6230 6.6230 6.6891 6.6891 6.8577 6.8577 7.1242 7.1242 7.4255 7.4255 13.3024 13.3024 13.5389 13.5389 14.4414 14.4414 14.7700 14.7700 14.9986 14.9986 k = 0.4828 0.2787 0.2604 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1335 2.1335 2.1396 2.1396 2.7434 2.7434 2.8012 2.8012 2.8317 2.8317 5.0105 5.0105 5.5142 5.5142 5.9435 5.9435 6.1390 6.1390 6.3490 6.3490 6.3941 6.3941 6.5027 6.5027 6.6203 6.6203 6.7008 6.7008 6.8571 6.8571 7.1368 7.1368 7.4283 7.4283 13.1312 13.1312 13.4209 13.4209 14.3651 14.3651 14.8839 14.8839 15.1192 15.1192 k = 0.4784 0.2762 0.2745 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1334 2.1334 2.1395 2.1395 2.7430 2.7430 2.8012 2.8012 2.8312 2.8312 5.0161 5.0161 5.5249 5.5249 5.9447 5.9447 6.1320 6.1320 6.3489 6.3489 6.3976 6.3976 6.4916 6.4916 6.6177 6.6177 6.7135 6.7135 6.8566 6.8566 7.1525 7.1525 7.4321 7.4321 12.9398 12.9398 13.3017 13.3017 14.2885 14.2885 15.0104 15.0104 15.2431 15.2431 k = 0.4741 0.2737 0.2886 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1333 2.1333 2.1394 2.1394 2.7425 2.7425 2.8013 2.8013 2.8307 2.8307 5.0229 5.0229 5.5376 5.5376 5.9462 5.9462 6.1240 6.1240 6.3484 6.3484 6.4014 6.4014 6.4803 6.4803 6.6153 6.6153 6.7268 6.7268 6.8565 6.8565 7.1711 7.1711 7.4368 7.4368 12.7380 12.7380 13.1816 13.1816 14.2136 14.2136 15.1456 15.1456 15.3695 15.3695 k = 0.4698 0.2713 0.3027 ( 3773 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1331 2.1331 2.1393 2.1393 2.7418 2.7418 2.8012 2.8012 2.8302 2.8302 5.0307 5.0307 5.5521 5.5521 5.9479 5.9479 6.1150 6.1150 6.3474 6.3474 6.4055 6.4055 6.4694 6.4694 6.6132 6.6132 6.7401 6.7401 6.8567 6.8567 7.1923 7.1923 7.4427 7.4427 12.5310 12.5310 13.0612 13.0612 14.1413 14.1413 15.2868 15.2868 15.4986 15.4986 k = 0.4655 0.2688 0.3167 ( 3769 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1329 2.1329 2.1391 2.1391 2.7412 2.7412 2.8011 2.8011 2.8298 2.8298 5.0396 5.0396 5.5682 5.5682 5.9500 5.9500 6.1053 6.1053 6.3455 6.3455 6.4096 6.4096 6.4596 6.4596 6.6115 6.6115 6.7534 6.7534 6.8576 6.8576 7.2157 7.2157 7.4499 7.4499 12.3216 12.3216 12.9409 12.9409 14.0720 14.0720 15.4326 15.4326 15.6311 15.6311 k = 0.4612 0.2663 0.3308 ( 3767 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1327 2.1327 2.1389 2.1389 2.7404 2.7404 2.8007 2.8007 2.8296 2.8296 5.0493 5.0493 5.5856 5.5856 5.9524 5.9524 6.0950 6.0950 6.3423 6.3423 6.4137 6.4137 6.4515 6.4515 6.6105 6.6105 6.7666 6.7666 6.8591 6.8591 7.2410 7.2410 7.4587 7.4587 12.1115 12.1115 12.8215 12.8215 14.0057 14.0057 15.5818 15.5818 15.7672 15.7672 k = 0.4569 0.2638 0.3449 ( 3771 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1325 2.1325 2.1387 2.1387 2.7396 2.7396 2.8002 2.8002 2.8296 2.8296 5.0599 5.0599 5.6039 5.6039 5.9552 5.9552 6.0842 6.0842 6.3373 6.3373 6.4177 6.4177 6.4454 6.4454 6.6105 6.6105 6.7794 6.7794 6.8613 6.8613 7.2676 7.2676 7.4695 7.4695 11.9019 11.9019 12.7033 12.7033 13.9425 13.9425 15.7337 15.7337 15.9073 15.9073 k = 0.4526 0.2613 0.3590 ( 3766 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1322 2.1322 2.1384 2.1384 2.7387 2.7387 2.7994 2.7994 2.8299 2.8299 5.0712 5.0712 5.6229 5.6229 5.9583 5.9583 6.0733 6.0733 6.3304 6.3304 6.4218 6.4218 6.4416 6.4416 6.6116 6.6116 6.7918 6.7918 6.8644 6.8644 7.2951 7.2951 7.4829 7.4829 11.6936 11.6936 12.5867 12.5867 13.8823 13.8823 15.8878 15.8878 16.0514 16.0514 k = 0.4483 0.2588 0.3731 ( 3770 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1319 2.1319 2.1382 2.1382 2.7378 2.7378 2.7983 2.7983 2.8305 2.8305 5.0831 5.0831 5.6420 5.6420 5.9619 5.9619 6.0621 6.0621 6.3214 6.3214 6.4259 6.4259 6.4399 6.4399 6.6141 6.6141 6.8038 6.8038 6.8685 6.8685 7.3227 7.3227 7.4994 7.4994 11.4870 11.4870 12.4720 12.4720 13.8252 13.8252 16.0437 16.0437 16.1996 16.1996 k = 0.4440 0.2563 0.3871 ( 3772 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1316 2.1316 2.1379 2.1379 2.7368 2.7368 2.7971 2.7971 2.8314 2.8314 5.0955 5.0955 5.6610 5.6610 5.9660 5.9660 6.0508 6.0508 6.3109 6.3109 6.4290 6.4290 6.4414 6.4414 6.6181 6.6181 6.8151 6.8151 6.8736 6.8736 7.3498 7.3498 7.5199 7.5199 11.2826 11.2826 12.3594 12.3594 13.7709 13.7709 16.2013 16.2013 16.3517 16.3517 k = 0.4397 0.2538 0.4012 ( 3774 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1313 2.1313 2.1376 2.1376 2.7359 2.7359 2.7956 2.7956 2.8325 2.8325 5.1082 5.1082 5.6795 5.6795 5.9706 5.9706 6.0397 6.0397 6.2989 6.2989 6.4291 6.4291 6.4473 6.4473 6.6238 6.6238 6.8259 6.8259 6.8799 6.8799 7.3759 7.3759 7.5449 7.5449 11.0807 11.0807 12.2493 12.2493 13.7196 13.7196 16.3605 16.3605 16.5075 16.5075 k = 0.4353 0.2513 0.4153 ( 3776 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1309 2.1309 2.1372 2.1372 2.7349 2.7349 2.7940 2.7940 2.8339 2.8339 5.1211 5.1211 5.6971 5.6971 5.9757 5.9757 6.0288 6.0288 6.2861 6.2861 6.4274 6.4274 6.4565 6.4565 6.6312 6.6312 6.8359 6.8359 6.8875 6.8875 7.4006 7.4006 7.5750 7.5750 10.8817 10.8817 12.1417 12.1417 13.6710 13.6710 16.5211 16.5211 16.6665 16.6665 k = 0.4310 0.2489 0.4294 ( 3772 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1306 2.1306 2.1369 2.1369 2.7340 2.7340 2.7922 2.7922 2.8356 2.8356 5.1340 5.1340 5.7135 5.7135 5.9813 5.9813 6.0182 6.0182 6.2726 6.2726 6.4246 6.4246 6.4680 6.4680 6.6401 6.6401 6.8451 6.8451 6.8965 6.8965 7.4244 7.4244 7.6100 7.6100 10.6859 10.6859 12.0369 12.0369 13.6252 13.6252 16.6832 16.6832 16.8279 16.8279 k = 0.4267 0.2464 0.4434 ( 3772 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1302 2.1302 2.1365 2.1365 2.7331 2.7331 2.7903 2.7903 2.8374 2.8374 5.1467 5.1467 5.7285 5.7285 5.9867 5.9867 6.0085 6.0085 6.2587 6.2587 6.4213 6.4213 6.4813 6.4813 6.6502 6.6502 6.8535 6.8535 6.9067 6.9067 7.4478 7.4478 7.6494 7.6494 10.4935 10.4935 11.9350 11.9350 13.5820 13.5820 16.8463 16.8463 16.9906 16.9906 k = 0.4224 0.2439 0.4575 ( 3772 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1298 2.1298 2.1361 2.1361 2.7322 2.7322 2.7883 2.7883 2.8393 2.8393 5.1591 5.1591 5.7420 5.7420 5.9888 5.9888 6.0027 6.0027 6.2445 6.2445 6.4176 6.4176 6.4959 6.4959 6.6613 6.6613 6.8611 6.8611 6.9181 6.9181 7.4718 7.4718 7.6929 7.6929 10.3048 10.3048 11.8362 11.8362 13.5412 13.5412 17.0089 17.0089 17.1513 17.1513 k = 0.4181 0.2414 0.4716 ( 3778 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1294 2.1294 2.1357 2.1357 2.7313 2.7313 2.7863 2.7863 2.8414 2.8414 5.1711 5.1711 5.7538 5.7538 5.9823 5.9823 6.0061 6.0061 6.2303 6.2303 6.4138 6.4138 6.5116 6.5116 6.6732 6.6732 6.8682 6.8682 6.9304 6.9304 7.4972 7.4972 7.7396 7.7396 10.1203 10.1203 11.7407 11.7407 13.5029 13.5029 17.1638 17.1638 17.2985 17.2985 k = 0.4138 0.2389 0.4857 ( 3780 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1290 2.1290 2.1352 2.1352 2.7306 2.7306 2.7842 2.7842 2.8435 2.8435 5.1824 5.1824 5.7639 5.7639 5.9729 5.9729 6.0130 6.0130 6.2161 6.2161 6.4102 6.4102 6.5279 6.5279 6.6855 6.6855 6.8749 6.8749 6.9434 6.9434 7.5250 7.5250 7.7891 7.7891 9.9404 9.9404 11.6485 11.6485 13.4670 13.4670 17.2472 17.2472 17.4091 17.4091 k = 0.4095 0.2364 0.4998 ( 3781 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1286 2.1286 2.1348 2.1348 2.7299 2.7299 2.7822 2.7822 2.8458 2.8458 5.1929 5.1929 5.7724 5.7724 5.9631 5.9631 6.0208 6.0208 6.2022 6.2022 6.4070 6.4070 6.5446 6.5446 6.6980 6.6980 6.8813 6.8813 6.9567 6.9567 7.5559 7.5559 7.8408 7.8408 9.7657 9.7657 11.5600 11.5600 13.4333 13.4333 17.1619 17.1619 17.5542 17.5542 k = 0.4052 0.2339 0.5138 ( 3787 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1283 2.1283 2.1343 2.1343 2.7293 2.7293 2.7802 2.7802 2.8480 2.8480 5.2025 5.2025 5.7790 5.7790 5.9533 5.9533 6.0289 6.0289 6.1887 6.1887 6.4042 6.4042 6.5612 6.5612 6.7103 6.7103 6.8875 6.8875 6.9700 6.9700 7.5904 7.5904 7.8940 7.8940 9.5969 9.5969 11.4753 11.4753 13.4018 13.4018 17.0236 17.0236 17.7217 17.7217 k = 0.4009 0.2314 0.5279 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1279 2.1279 2.1339 2.1339 2.7287 2.7287 2.7782 2.7782 2.8503 2.8503 5.2110 5.2110 5.7838 5.7838 5.9438 5.9438 6.0371 6.0371 6.1759 6.1759 6.4021 6.4021 6.5773 6.5773 6.7222 6.7222 6.8937 6.8937 6.9830 6.9830 7.6292 7.6292 7.9481 7.9481 9.4352 9.4352 11.3944 11.3944 13.3724 13.3724 16.8759 16.8759 17.8947 17.8947 k = 0.3966 0.2289 0.5420 ( 3782 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2381 -31.2381 2.1276 2.1276 2.1335 2.1335 2.7283 2.7283 2.7763 2.7763 2.8525 2.8525 5.2184 5.2184 5.7862 5.7862 5.9349 5.9349 6.0452 6.0452 6.1639 6.1639 6.4008 6.4008 6.5926 6.5926 6.7334 6.7334 6.8999 6.8999 6.9955 6.9955 7.6725 7.6725 8.0017 8.0017 9.2821 9.2821 11.3176 11.3176 13.3449 13.3449 16.7266 16.7266 18.0696 18.0696 k = 0.3922 0.2265 0.5561 ( 3776 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2381 -31.2381 -31.2380 -31.2380 2.1272 2.1272 2.1330 2.1330 2.7280 2.7280 2.7744 2.7744 2.8547 2.8547 5.2246 5.2246 5.7860 5.7860 5.9269 5.9269 6.0530 6.0530 6.1533 6.1533 6.4002 6.4002 6.6069 6.6069 6.7436 6.7436 6.9063 6.9063 7.0074 7.0074 7.7198 7.7198 8.0530 8.0530 9.1404 9.1404 11.2451 11.2451 13.3194 13.3194 16.5780 16.5780 18.2446 18.2446 k = 0.3879 0.2240 0.5701 ( 3786 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1269 2.1269 2.1326 2.1326 2.7277 2.7277 2.7726 2.7726 2.8568 2.8568 5.2295 5.2295 5.7826 5.7826 5.9202 5.9202 6.0603 6.0603 6.1442 6.1442 6.4005 6.4005 6.6199 6.6199 6.7523 6.7523 6.9129 6.9129 7.0186 7.0186 7.7704 7.7704 8.0992 8.0992 9.0140 9.0140 11.1770 11.1770 13.2957 13.2957 16.4312 16.4312 18.4176 18.4176 k = 0.3836 0.2215 0.5842 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1267 2.1267 2.1322 2.1322 2.7275 2.7275 2.7709 2.7709 2.8589 2.8589 5.2331 5.2331 5.7755 5.7755 5.9150 5.9150 6.0667 6.0667 6.1375 6.1375 6.4018 6.4018 6.6314 6.6314 6.7593 6.7593 6.9196 6.9196 7.0292 7.0292 7.8218 7.8218 8.1364 8.1364 8.9097 8.9097 11.1134 11.1134 13.2738 13.2738 16.2866 16.2866 18.5850 18.5850 k = 0.3793 0.2190 0.5983 ( 3791 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1264 2.1264 2.1318 2.1318 2.7274 2.7274 2.7694 2.7694 2.8608 2.8608 5.2353 5.2353 5.7644 5.7644 5.9114 5.9114 6.0718 6.0718 6.1336 6.1336 6.4040 6.4040 6.6414 6.6414 6.7644 6.7644 6.9264 6.9264 7.0395 7.0395 7.8686 7.8686 8.1616 8.1616 8.8363 8.8363 11.0546 11.0546 13.2536 13.2536 16.1444 16.1444 18.7379 18.7379 k = 0.3750 0.2165 0.6124 ( 3799 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1262 2.1262 2.1315 2.1315 2.7274 2.7274 2.7679 2.7679 2.8627 2.8627 5.2361 5.2361 5.7494 5.7494 5.9091 5.9091 6.0756 6.0756 6.1328 6.1328 6.4071 6.4071 6.6498 6.6498 6.7674 6.7674 6.9329 6.9329 7.0499 7.0499 7.8980 7.8980 8.1797 8.1797 8.8015 8.8015 11.0007 11.0007 13.2349 13.2349 16.0049 16.0049 18.8485 18.8485 k = 0.6250-0.0722 0.4082 ( 3799 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1262 2.1262 2.1315 2.1315 2.7274 2.7274 2.7679 2.7679 2.8627 2.8627 5.2361 5.2361 5.7494 5.7494 5.9091 5.9091 6.0756 6.0756 6.1328 6.1328 6.4071 6.4071 6.6498 6.6498 6.7674 6.7674 6.9329 6.9329 7.0499 7.0499 7.8980 7.8980 8.1797 8.1797 8.8015 8.8015 11.0007 11.0007 13.2349 13.2349 16.0049 16.0049 18.8485 18.8485 k = 0.6176-0.0849 0.4082 ( 3789 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1259 2.1259 2.1309 2.1309 2.7275 2.7275 2.7655 2.7655 2.8657 2.8657 5.2356 5.2356 5.7202 5.7202 5.9057 5.9057 6.0794 6.0794 6.1376 6.1376 6.4133 6.4133 6.6624 6.6624 6.7704 6.7704 6.9428 6.9428 7.0693 7.0693 7.8861 7.8861 8.2536 8.2536 8.7779 8.7779 10.9147 10.9147 13.2048 13.2048 15.7711 15.7711 18.9704 18.9704 k = 0.6103-0.0976 0.4082 ( 3785 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1257 2.1257 2.1303 2.1303 2.7277 2.7277 2.7632 2.7632 2.8686 2.8686 5.2338 5.2338 5.6903 5.6903 5.9015 5.9015 6.0820 6.0820 6.1471 6.1471 6.4196 6.4196 6.6742 6.6742 6.7727 6.7727 6.9511 6.9511 7.0910 7.0910 7.8337 7.8337 8.3741 8.3741 8.7567 8.7567 10.8320 10.8320 13.1752 13.1752 15.5414 15.5414 19.0943 19.0943 k = 0.6029-0.1104 0.4082 ( 3781 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1254 2.1254 2.1297 2.1297 2.7280 2.7280 2.7610 2.7610 2.8714 2.8714 5.2310 5.2310 5.6603 5.6603 5.8963 5.8963 6.0854 6.0854 6.1591 6.1591 6.4261 6.4261 6.6855 6.6855 6.7746 6.7746 6.9576 6.9576 7.1145 7.1145 7.7696 7.7696 8.5114 8.5114 8.7379 8.7379 10.7529 10.7529 13.1457 13.1457 15.3168 15.3168 19.2203 19.2203 k = 0.5956-0.1231 0.4082 ( 3781 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1251 2.1251 2.1291 2.1291 2.7283 2.7283 2.7589 2.7589 2.8741 2.8741 5.2275 5.2275 5.6306 5.6306 5.8903 5.8903 6.0904 6.0904 6.1722 6.1722 6.4328 6.4328 6.6961 6.6961 6.7761 6.7761 6.9628 6.9628 7.1389 7.1389 7.7031 7.7031 8.6539 8.6539 8.7235 8.7235 10.6776 10.6776 13.1159 13.1159 15.0981 15.0981 19.3482 19.3482 k = 0.5882-0.1358 0.4082 ( 3785 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1248 2.1248 2.1285 2.1285 2.7286 2.7286 2.7569 2.7569 2.8767 2.8767 5.2236 5.2236 5.6018 5.6018 5.8838 5.8838 6.0968 6.0968 6.1861 6.1861 6.4399 6.4399 6.7060 6.7060 6.7774 6.7774 6.9668 6.9668 7.1634 7.1634 7.6372 7.6372 8.7016 8.7016 8.8095 8.8095 10.6063 10.6063 13.0852 13.0852 14.8867 14.8867 19.4780 19.4780 k = 0.5809-0.1486 0.4082 ( 3797 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1245 2.1245 2.1280 2.1280 2.7290 2.7290 2.7551 2.7551 2.8791 2.8791 5.2193 5.2193 5.5741 5.5741 5.8769 5.8769 6.1043 6.1043 6.2003 6.2003 6.4472 6.4472 6.7151 6.7151 6.7787 6.7787 6.9698 6.9698 7.1875 7.1875 7.5733 7.5733 8.6894 8.6894 8.9590 8.9590 10.5392 10.5392 13.0529 13.0529 14.6838 14.6838 19.6095 19.6095 k = 0.5735-0.1613 0.4082 ( 3792 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1242 2.1242 2.1275 2.1275 2.7294 2.7294 2.7534 2.7534 2.8814 2.8814 5.2149 5.2149 5.5480 5.5480 5.8700 5.8700 6.1125 6.1125 6.2149 6.2149 6.4550 6.4550 6.7237 6.7237 6.7799 6.7799 6.9720 6.9720 7.2104 7.2104 7.5126 7.5126 8.6777 8.6777 9.1100 9.1100 10.4767 10.4767 13.0180 13.0180 14.4914 14.4914 19.7425 19.7425 k = 0.5662-0.1741 0.4082 ( 3800 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1239 2.1239 2.1270 2.1270 2.7298 2.7298 2.7518 2.7518 2.8835 2.8835 5.2105 5.2105 5.5235 5.5235 5.8633 5.8633 6.1208 6.1208 6.2294 6.2294 6.4632 6.4632 6.7314 6.7314 6.7812 6.7812 6.9737 6.9737 7.2307 7.2307 7.4563 7.4563 8.6672 8.6672 9.2602 9.2602 10.4191 10.4191 12.9794 12.9794 14.3114 14.3114 19.8766 19.8766 k = 0.5588-0.1868 0.4082 ( 3800 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1236 2.1236 2.1266 2.1266 2.7301 2.7301 2.7505 2.7505 2.8854 2.8854 5.2064 5.2064 5.5011 5.5011 5.8570 5.8570 6.1289 6.1289 6.2438 6.2438 6.4720 6.4720 6.7382 6.7382 6.7828 6.7828 6.9749 6.9749 7.2461 7.2461 7.4068 7.4068 8.6581 8.6581 9.4077 9.4077 10.3665 10.3665 12.9359 12.9359 14.1467 14.1467 20.0115 20.0115 k = 0.5515-0.1995 0.4082 ( 3796 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1234 2.1234 2.1263 2.1263 2.7305 2.7305 2.7492 2.7492 2.8872 2.8872 5.2025 5.2025 5.4808 5.4808 5.8512 5.8512 6.1364 6.1364 6.2576 6.2576 6.4813 6.4813 6.7441 6.7441 6.7846 6.7846 6.9759 6.9759 7.2514 7.2514 7.3697 7.3697 8.6502 8.6502 9.5507 9.5507 10.3193 10.3193 12.8865 12.8865 13.9998 13.9998 20.1464 20.1464 k = 0.5441-0.2123 0.4082 ( 3796 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1231 2.1231 2.1260 2.1260 2.7308 2.7308 2.7482 2.7482 2.8887 2.8887 5.1989 5.1989 5.4629 5.4629 5.8460 5.8460 6.1431 6.1431 6.2706 6.2706 6.4911 6.4911 6.7488 6.7488 6.7865 6.7865 6.9767 6.9767 7.2386 7.2386 7.3526 7.3526 8.6436 8.6436 9.6867 9.6867 10.2779 10.2779 12.8307 12.8307 13.8733 13.8733 20.2800 20.2801 k = 0.5368-0.2250 0.4082 ( 3792 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2381 -31.2381 2.1229 2.1229 2.1257 2.1257 2.7311 2.7311 2.7473 2.7473 2.8900 2.8900 5.1958 5.1958 5.4475 5.4475 5.8415 5.8415 6.1490 6.1490 6.2822 6.2822 6.5011 6.5011 6.7525 6.7525 6.7887 6.7887 6.9774 6.9774 7.2111 7.2111 7.3528 7.3528 8.6380 8.6380 9.8126 9.8126 10.2427 10.2427 12.7699 12.7699 13.7689 13.7689 20.4092 20.4093 k = 0.5294-0.2377 0.4082 ( 3784 PWs) bands (ev): -64.5857 -64.5857 -31.5259 -31.5259 -31.2382 -31.2382 -31.2380 -31.2380 2.1227 2.1227 2.1255 2.1255 2.7314 2.7314 2.7466 2.7466 2.8911 2.8911 5.1932 5.1932 5.4347 5.4347 5.8377 5.8377 6.1538 6.1538 6.2921 6.2921 6.5109 6.5109 6.7554 6.7554 6.7908 6.7908 6.9784 6.9784 7.1800 7.1800 7.3596 7.3596 8.6335 8.6335 9.9247 9.9247 10.2141 10.2141 12.7071 12.7071 13.6870 13.6870 20.5115 20.5115 k = 0.5221-0.2505 0.4082 ( 3798 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1225 2.1225 2.1253 2.1253 2.7315 2.7315 2.7461 2.7461 2.8920 2.8920 5.1912 5.1912 5.4247 5.4247 5.8347 5.8347 6.1576 6.1576 6.3001 6.3001 6.5198 6.5198 6.7572 6.7572 6.7926 6.7926 6.9794 6.9794 7.1518 7.1518 7.3672 7.3672 8.6301 8.6301 10.0177 10.0177 10.1932 10.1932 12.6477 12.6477 13.6264 13.6264 20.5817 20.5817 k = 0.5147-0.2632 0.4082 ( 3812 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1224 2.1224 2.1252 2.1252 2.7317 2.7317 2.7457 2.7457 2.8926 2.8926 5.1896 5.1896 5.4174 5.4174 5.8325 5.8325 6.1603 6.1603 6.3058 6.3058 6.5271 6.5271 6.7584 6.7584 6.7940 6.7940 6.9806 6.9806 7.1294 7.1294 7.3734 7.3734 8.6277 8.6277 10.0849 10.0849 10.1823 10.1823 12.5983 12.5983 13.5852 13.5852 20.6323 20.6323 k = 0.5074-0.2759 0.4082 ( 3812 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1223 2.1223 2.1251 2.1251 2.7317 2.7317 2.7454 2.7454 2.8929 2.8929 5.1887 5.1887 5.4131 5.4131 5.8312 5.8312 6.1619 6.1619 6.3093 6.3093 6.5318 6.5318 6.7591 6.7591 6.7949 6.7949 6.9817 6.9817 7.1151 7.1151 7.3774 7.3774 8.6262 8.6262 10.1184 10.1184 10.1847 10.1847 12.5654 12.5654 13.5614 13.5614 20.6630 20.6630 k = 0.5000-0.2887 0.4082 ( 3812 PWs) bands (ev): -64.5857 -64.5857 -31.5260 -31.5260 -31.2382 -31.2382 -31.2381 -31.2381 2.1223 2.1223 2.1251 2.1251 2.7318 2.7318 2.7454 2.7454 2.8930 2.8930 5.1884 5.1884 5.4116 5.4116 5.8308 5.8308 6.1624 6.1624 6.3105 6.3105 6.5335 6.5335 6.7594 6.7594 6.7953 6.7953 6.9821 6.9821 7.1101 7.1101 7.3788 7.3788 8.6257 8.6257 10.1257 10.1257 10.1898 10.1898 12.5539 12.5539 13.5536 13.5536 20.6733 20.6733 Writing output data file MgCdAg2.save init_run : 0.40s CPU 0.56s WALL ( 1 calls) electrons : 173.90s CPU 176.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 173.89s CPU 176.48s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 317 calls) cegterg : 157.44s CPU 159.49s WALL ( 491 calls) Called by sum_band: Called by *egterg: h_psi : 91.88s CPU 93.28s WALL ( 8679 calls) s_psi : 3.80s CPU 3.97s WALL ( 8679 calls) g_psi : 0.20s CPU 0.20s WALL ( 7871 calls) cdiaghg : 57.68s CPU 58.43s WALL ( 8188 calls) cegterg:over : 5.24s CPU 5.22s WALL ( 7871 calls) cegterg:upda : 4.62s CPU 4.65s WALL ( 7871 calls) cegterg:last : 2.23s CPU 2.29s WALL ( 1127 calls) cdiaghg:chol : 3.26s CPU 3.22s WALL ( 8188 calls) cdiaghg:inve : 2.10s CPU 2.16s WALL ( 8188 calls) cdiaghg:para : 3.51s CPU 3.41s WALL ( 16376 calls) Called by h_psi: h_psi:vloc : 82.65s CPU 84.06s WALL ( 8679 calls) h_psi:vnl : 9.00s CPU 9.02s WALL ( 8679 calls) add_vuspsi : 4.62s CPU 4.58s WALL ( 8679 calls) General routines calbec : 4.35s CPU 4.42s WALL ( 8679 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 76.06s CPU 77.53s WALL ( 761988 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.23s WALL ( 634 calls) Parallel routines fft_scatter : 24.31s CPU 24.89s WALL ( 762011 calls) PWSCF : 3m 9.19s CPU 3m21.98s WALL This run was terminated on: 14:42:46 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=