Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:31:23 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: ./YInCu2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 38 27 8 944 554 91 Max 39 28 9 947 575 93 Sum 1393 979 295 34015 20395 3287 bravais-lattice index = 14 lattice parameter (alat) = 8.8205 a.u. unit-cell volume = 485.2502 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.820507 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 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 In 13.00 114.81800 In( 1.00) Cu 11.00 63.54600 Cu( 1.00) Y 11.00 88.90590 Y( 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= 320 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0104167 -0.0060141 0.0085052), wk = 0.0031250 k( 3) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0031250 k( 4) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0031250 k( 5) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0031250 k( 6) = ( 0.0520833 -0.0300703 0.0425259), wk = 0.0031250 k( 7) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0031250 k( 8) = ( 0.0729167 -0.0420985 0.0595362), wk = 0.0031250 k( 9) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0031250 k( 10) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0031250 k( 11) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0031250 k( 12) = ( 0.1145833 -0.0661547 0.0935569), wk = 0.0031250 k( 13) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0031250 k( 14) = ( 0.1354167 -0.0781829 0.1105672), wk = 0.0031250 k( 15) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0031250 k( 16) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0031250 k( 17) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0031250 k( 18) = ( 0.1770833 -0.1022391 0.1445879), wk = 0.0031250 k( 19) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0031250 k( 20) = ( 0.1979167 -0.1142672 0.1615983), wk = 0.0031250 k( 21) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0031250 k( 22) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0031250 k( 23) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0031250 k( 24) = ( 0.2395833 -0.1383235 0.1956190), wk = 0.0031250 k( 25) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0031250 k( 26) = ( 0.2604167 -0.1503516 0.2126293), wk = 0.0031250 k( 27) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0031250 k( 28) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0031250 k( 29) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0031250 k( 30) = ( 0.3020833 -0.1744079 0.2466500), wk = 0.0031250 k( 31) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0031250 k( 32) = ( 0.3229167 -0.1864360 0.2636604), wk = 0.0031250 k( 33) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0031250 k( 34) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0031250 k( 35) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0031250 k( 36) = ( 0.3645833 -0.2104923 0.2976810), wk = 0.0031250 k( 37) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0031250 k( 38) = ( 0.3854167 -0.2225204 0.3146914), wk = 0.0031250 k( 39) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0031250 k( 40) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0031250 k( 41) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0031250 k( 42) = ( 0.4270833 -0.2465767 0.3487121), wk = 0.0031250 k( 43) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0031250 k( 44) = ( 0.4479167 -0.2586048 0.3657224), wk = 0.0031250 k( 45) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0031250 k( 46) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0031250 k( 47) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0031250 k( 48) = ( 0.4895833 -0.2826611 0.3997431), wk = 0.0031250 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 k( 51) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031250 k( 52) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031250 k( 53) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031250 k( 54) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031250 k( 55) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031250 k( 56) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031250 k( 57) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031250 k( 58) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031250 k( 59) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031250 k( 60) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031250 k( 61) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031250 k( 62) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031250 k( 63) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031250 k( 64) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031250 k( 65) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031250 k( 66) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031250 k( 67) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031250 k( 68) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031250 k( 69) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031250 k( 70) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031250 k( 71) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031250 k( 72) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031250 k( 73) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031250 k( 74) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 75) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 76) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031250 k( 77) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031250 k( 78) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031250 k( 79) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031250 k( 80) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031250 k( 81) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031250 k( 82) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031250 k( 83) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031250 k( 84) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031250 k( 85) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031250 k( 86) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031250 k( 87) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031250 k( 88) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031250 k( 89) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031250 k( 90) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031250 k( 91) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031250 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 93) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 94) = ( 0.3676471 0.2122611 0.6003651), wk = 0.0031250 k( 95) = ( 0.3602941 0.2080159 0.5883578), wk = 0.0031250 k( 96) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0031250 k( 97) = ( 0.3455882 0.1995255 0.5643432), wk = 0.0031250 k( 98) = ( 0.3382353 0.1952802 0.5523359), wk = 0.0031250 k( 99) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0031250 k( 100) = ( 0.3235294 0.1867898 0.5283213), wk = 0.0031250 k( 101) = ( 0.3161765 0.1825446 0.5163140), wk = 0.0031250 k( 102) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0031250 k( 103) = ( 0.3014706 0.1740541 0.4922994), wk = 0.0031250 k( 104) = ( 0.2941177 0.1698089 0.4802921), wk = 0.0031250 k( 105) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0031250 k( 106) = ( 0.2794118 0.1613185 0.4562775), wk = 0.0031250 k( 107) = ( 0.2720588 0.1570732 0.4442702), wk = 0.0031250 k( 108) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0031250 k( 109) = ( 0.2573529 0.1485828 0.4202556), wk = 0.0031250 k( 110) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0031250 k( 111) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0031250 k( 112) = ( 0.2352941 0.1358471 0.3842337), wk = 0.0031250 k( 113) = ( 0.2279412 0.1316019 0.3722264), wk = 0.0031250 k( 114) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0031250 k( 115) = ( 0.2132353 0.1231115 0.3482118), wk = 0.0031250 k( 116) = ( 0.2058823 0.1188662 0.3362045), wk = 0.0031250 k( 117) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0031250 k( 118) = ( 0.1911765 0.1103758 0.3121899), wk = 0.0031250 k( 119) = ( 0.1838235 0.1061306 0.3001826), wk = 0.0031250 k( 120) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0031250 k( 121) = ( 0.1691177 0.0976401 0.2761680), wk = 0.0031250 k( 122) = ( 0.1617647 0.0933949 0.2641607), wk = 0.0031250 k( 123) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0031250 k( 124) = ( 0.1470588 0.0849044 0.2401461), wk = 0.0031250 k( 125) = ( 0.1397059 0.0806592 0.2281387), wk = 0.0031250 k( 126) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0031250 k( 127) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0031250 k( 128) = ( 0.1176471 0.0679236 0.1921168), wk = 0.0031250 k( 129) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0031250 k( 130) = ( 0.1029412 0.0594331 0.1681022), wk = 0.0031250 k( 131) = ( 0.0955882 0.0551879 0.1560949), wk = 0.0031250 k( 132) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0031250 k( 133) = ( 0.0808824 0.0466974 0.1320803), wk = 0.0031250 k( 134) = ( 0.0735294 0.0424522 0.1200730), wk = 0.0031250 k( 135) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0031250 k( 136) = ( 0.0588235 0.0339618 0.0960584), wk = 0.0031250 k( 137) = ( 0.0514706 0.0297166 0.0840511), wk = 0.0031250 k( 138) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0031250 k( 139) = ( 0.0367647 0.0212261 0.0600365), wk = 0.0031250 k( 140) = ( 0.0294118 0.0169809 0.0480292), wk = 0.0031250 k( 141) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0031250 k( 142) = ( 0.0147059 0.0084904 0.0240146), wk = 0.0031250 k( 143) = ( 0.0073529 0.0042452 0.0120073), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 146) = ( 0.0119048 0.0068732 0.0048601), wk = 0.0031250 k( 147) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0031250 k( 148) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0031250 k( 149) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0031250 k( 150) = ( 0.0595238 0.0343661 0.0243005), wk = 0.0031250 k( 151) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0031250 k( 152) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0031250 k( 153) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0031250 k( 154) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0031250 k( 155) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0031250 k( 156) = ( 0.1309524 0.0756054 0.0534611), wk = 0.0031250 k( 157) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0031250 k( 158) = ( 0.1547619 0.0893518 0.0631813), wk = 0.0031250 k( 159) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0031250 k( 160) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0031250 k( 161) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0031250 k( 162) = ( 0.2023810 0.1168447 0.0826217), wk = 0.0031250 k( 163) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0031250 k( 164) = ( 0.2261905 0.1305911 0.0923419), wk = 0.0031250 k( 165) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0031250 k( 166) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0031250 k( 167) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0031250 k( 168) = ( 0.2738095 0.1580840 0.1117823), wk = 0.0031250 k( 169) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0031250 k( 170) = ( 0.2976190 0.1718304 0.1215025), wk = 0.0031250 k( 171) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0031250 k( 172) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0031250 k( 173) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0031250 k( 174) = ( 0.3452381 0.1993233 0.1409429), wk = 0.0031250 k( 175) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0031250 k( 176) = ( 0.3690476 0.2130697 0.1506631), wk = 0.0031250 k( 177) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0031250 k( 178) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0031250 k( 179) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0031250 k( 180) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0031250 k( 181) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0031250 k( 182) = ( 0.4404762 0.2543090 0.1798237), wk = 0.0031250 k( 183) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0031250 k( 184) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0031250 k( 185) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0031250 k( 186) = ( 0.4880952 0.2818019 0.1992640), wk = 0.0031250 k( 187) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 188) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 189) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0031250 k( 190) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0031250 k( 191) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0031250 k( 192) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0031250 k( 193) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0031250 k( 194) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0031250 k( 195) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0031250 k( 196) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0031250 k( 197) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0031250 k( 198) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0031250 k( 199) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0031250 k( 200) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0031250 k( 201) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0031250 k( 202) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0031250 k( 203) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0031250 k( 204) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0031250 k( 205) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0031250 k( 206) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0031250 k( 207) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0031250 k( 208) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0031250 k( 209) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0031250 k( 210) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0031250 k( 211) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0031250 k( 212) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0031250 k( 213) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0031250 k( 214) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0031250 k( 215) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0031250 k( 216) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0031250 k( 217) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0031250 k( 218) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 219) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 220) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031250 k( 221) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031250 k( 222) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031250 k( 223) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031250 k( 224) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031250 k( 225) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031250 k( 226) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031250 k( 227) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031250 k( 228) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031250 k( 229) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031250 k( 230) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031250 k( 231) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031250 k( 232) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031250 k( 233) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031250 k( 234) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031250 k( 235) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031250 k( 236) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 237) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 238) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031250 k( 239) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031250 k( 240) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031250 k( 241) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031250 k( 242) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031250 k( 243) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031250 k( 244) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031250 k( 245) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031250 k( 246) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031250 k( 247) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031250 k( 248) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031250 k( 249) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031250 k( 250) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031250 k( 251) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031250 k( 252) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031250 k( 253) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031250 k( 254) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031250 k( 255) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031250 k( 256) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031250 k( 257) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031250 k( 258) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031250 k( 259) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031250 k( 260) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031250 k( 261) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031250 k( 262) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031250 k( 263) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031250 k( 264) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031250 k( 265) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031250 k( 266) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031250 k( 267) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031250 k( 268) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031250 k( 269) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031250 k( 270) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031250 k( 271) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 272) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 273) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0031250 k( 274) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0031250 k( 275) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0031250 k( 276) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0031250 k( 277) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0031250 k( 278) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0031250 k( 279) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0031250 k( 280) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0031250 k( 281) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0031250 k( 282) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0031250 k( 283) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0031250 k( 284) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0031250 k( 285) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0031250 k( 286) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0031250 k( 287) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0031250 k( 288) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0031250 k( 289) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0031250 k( 290) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0031250 k( 291) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0031250 k( 292) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0031250 k( 293) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0031250 k( 294) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0031250 k( 295) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0031250 k( 296) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0031250 k( 297) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0031250 k( 298) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0031250 k( 299) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0031250 k( 300) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0031250 k( 301) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0031250 k( 302) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 303) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 304) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031250 k( 305) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031250 k( 306) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031250 k( 307) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031250 k( 308) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031250 k( 309) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031250 k( 310) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031250 k( 311) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031250 k( 312) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031250 k( 313) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031250 k( 314) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031250 k( 315) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031250 k( 316) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031250 k( 317) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031250 k( 318) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031250 k( 319) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031250 k( 320) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0104167 -0.0000000 0.0104167), wk = 0.0031250 k( 3) = ( 0.0208333 0.0000000 0.0208333), wk = 0.0031250 k( 4) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0031250 k( 5) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0031250 k( 6) = ( 0.0520833 -0.0000000 0.0520833), wk = 0.0031250 k( 7) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0031250 k( 8) = ( 0.0729167 0.0000000 0.0729167), wk = 0.0031250 k( 9) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0031250 k( 10) = ( 0.0937500 -0.0000000 0.0937500), wk = 0.0031250 k( 11) = ( 0.1041667 -0.0000000 0.1041667), wk = 0.0031250 k( 12) = ( 0.1145833 -0.0000000 0.1145833), wk = 0.0031250 k( 13) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0031250 k( 14) = ( 0.1354167 0.0000000 0.1354167), wk = 0.0031250 k( 15) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0031250 k( 16) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0031250 k( 17) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0031250 k( 18) = ( 0.1770833 -0.0000000 0.1770833), wk = 0.0031250 k( 19) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0031250 k( 20) = ( 0.1979167 -0.0000000 0.1979167), wk = 0.0031250 k( 21) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0031250 k( 22) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0031250 k( 23) = ( 0.2291667 0.0000000 0.2291667), wk = 0.0031250 k( 24) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0031250 k( 25) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0031250 k( 26) = ( 0.2604167 0.0000000 0.2604167), wk = 0.0031250 k( 27) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0031250 k( 28) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0031250 k( 29) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0031250 k( 30) = ( 0.3020833 -0.0000000 0.3020833), wk = 0.0031250 k( 31) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0031250 k( 32) = ( 0.3229167 0.0000000 0.3229167), wk = 0.0031250 k( 33) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0031250 k( 34) = ( 0.3437500 0.0000000 0.3437500), wk = 0.0031250 k( 35) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0031250 k( 36) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0031250 k( 37) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0031250 k( 38) = ( 0.3854167 -0.0000000 0.3854167), wk = 0.0031250 k( 39) = ( 0.3958333 -0.0000000 0.3958333), wk = 0.0031250 k( 40) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0031250 k( 41) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0031250 k( 42) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0031250 k( 43) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0031250 k( 44) = ( 0.4479167 -0.0000000 0.4479167), wk = 0.0031250 k( 45) = ( 0.4583333 -0.0000000 0.4583333), wk = 0.0031250 k( 46) = ( 0.4687500 -0.0000000 0.4687500), wk = 0.0031250 k( 47) = ( 0.4791667 -0.0000000 0.4791667), wk = 0.0031250 k( 48) = ( 0.4895833 -0.0000000 0.4895833), wk = 0.0031250 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 51) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031250 k( 52) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031250 k( 53) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031250 k( 54) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031250 k( 55) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031250 k( 56) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031250 k( 57) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031250 k( 58) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031250 k( 59) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031250 k( 60) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031250 k( 61) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031250 k( 62) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031250 k( 63) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031250 k( 64) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031250 k( 65) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031250 k( 66) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031250 k( 67) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031250 k( 68) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031250 k( 69) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031250 k( 70) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031250 k( 71) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031250 k( 72) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031250 k( 73) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031250 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 75) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 76) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031250 k( 77) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031250 k( 78) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031250 k( 79) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031250 k( 80) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031250 k( 81) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031250 k( 82) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031250 k( 83) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031250 k( 84) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031250 k( 85) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031250 k( 86) = ( 0.4191177 0.3308824 0.7500000), wk = 0.0031250 k( 87) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031250 k( 88) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031250 k( 89) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031250 k( 90) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031250 k( 91) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031250 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 93) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 94) = ( 0.3676471 0.3676471 0.7352941), wk = 0.0031250 k( 95) = ( 0.3602941 0.3602941 0.7205882), wk = 0.0031250 k( 96) = ( 0.3529412 0.3529412 0.7058824), wk = 0.0031250 k( 97) = ( 0.3455882 0.3455882 0.6911765), wk = 0.0031250 k( 98) = ( 0.3382353 0.3382353 0.6764706), wk = 0.0031250 k( 99) = ( 0.3308823 0.3308824 0.6617647), wk = 0.0031250 k( 100) = ( 0.3235294 0.3235294 0.6470588), wk = 0.0031250 k( 101) = ( 0.3161765 0.3161765 0.6323529), wk = 0.0031250 k( 102) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0031250 k( 103) = ( 0.3014706 0.3014706 0.6029412), wk = 0.0031250 k( 104) = ( 0.2941177 0.2941177 0.5882353), wk = 0.0031250 k( 105) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0031250 k( 106) = ( 0.2794118 0.2794118 0.5588235), wk = 0.0031250 k( 107) = ( 0.2720588 0.2720588 0.5441177), wk = 0.0031250 k( 108) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0031250 k( 109) = ( 0.2573529 0.2573529 0.5147059), wk = 0.0031250 k( 110) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031250 k( 111) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0031250 k( 112) = ( 0.2352941 0.2352941 0.4705882), wk = 0.0031250 k( 113) = ( 0.2279412 0.2279412 0.4558824), wk = 0.0031250 k( 114) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0031250 k( 115) = ( 0.2132353 0.2132353 0.4264706), wk = 0.0031250 k( 116) = ( 0.2058823 0.2058823 0.4117647), wk = 0.0031250 k( 117) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0031250 k( 118) = ( 0.1911765 0.1911765 0.3823529), wk = 0.0031250 k( 119) = ( 0.1838235 0.1838235 0.3676471), wk = 0.0031250 k( 120) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0031250 k( 121) = ( 0.1691177 0.1691177 0.3382353), wk = 0.0031250 k( 122) = ( 0.1617647 0.1617647 0.3235294), wk = 0.0031250 k( 123) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0031250 k( 124) = ( 0.1470588 0.1470588 0.2941177), wk = 0.0031250 k( 125) = ( 0.1397059 0.1397059 0.2794118), wk = 0.0031250 k( 126) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0031250 k( 127) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0031250 k( 128) = ( 0.1176471 0.1176471 0.2352941), wk = 0.0031250 k( 129) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0031250 k( 130) = ( 0.1029412 0.1029412 0.2058824), wk = 0.0031250 k( 131) = ( 0.0955882 0.0955882 0.1911765), wk = 0.0031250 k( 132) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0031250 k( 133) = ( 0.0808824 0.0808824 0.1617647), wk = 0.0031250 k( 134) = ( 0.0735294 0.0735294 0.1470588), wk = 0.0031250 k( 135) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0031250 k( 136) = ( 0.0588235 0.0588235 0.1176471), wk = 0.0031250 k( 137) = ( 0.0514706 0.0514706 0.1029412), wk = 0.0031250 k( 138) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0031250 k( 139) = ( 0.0367647 0.0367647 0.0735294), wk = 0.0031250 k( 140) = ( 0.0294118 0.0294118 0.0588235), wk = 0.0031250 k( 141) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0031250 k( 142) = ( 0.0147059 0.0147059 0.0294118), wk = 0.0031250 k( 143) = ( 0.0073529 0.0073529 0.0147059), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 146) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0031250 k( 147) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0031250 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031250 k( 149) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0031250 k( 150) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0031250 k( 151) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031250 k( 152) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031250 k( 153) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0031250 k( 154) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031250 k( 155) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0031250 k( 156) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0031250 k( 157) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031250 k( 158) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0031250 k( 159) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031250 k( 160) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031250 k( 161) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0031250 k( 162) = ( 0.2023810 0.2023810 0.2023810), wk = 0.0031250 k( 163) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031250 k( 164) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0031250 k( 165) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0031250 k( 166) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031250 k( 167) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0031250 k( 168) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0031250 k( 169) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031250 k( 170) = ( 0.2976190 0.2976190 0.2976191), wk = 0.0031250 k( 171) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0031250 k( 172) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031250 k( 173) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031250 k( 174) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0031250 k( 175) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031250 k( 176) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0031250 k( 177) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0031250 k( 178) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031250 k( 179) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0031250 k( 180) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031250 k( 181) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031250 k( 182) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0031250 k( 183) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0031250 k( 184) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031250 k( 185) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0031250 k( 186) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0031250 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 189) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0031250 k( 190) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0031250 k( 191) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0031250 k( 192) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0031250 k( 193) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0031250 k( 194) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0031250 k( 195) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0031250 k( 196) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0031250 k( 197) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0031250 k( 198) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0031250 k( 199) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0031250 k( 200) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0031250 k( 201) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0031250 k( 202) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0031250 k( 203) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0031250 k( 204) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0031250 k( 205) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0031250 k( 206) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0031250 k( 207) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0031250 k( 208) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0031250 k( 209) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0031250 k( 210) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0031250 k( 211) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0031250 k( 212) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0031250 k( 213) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0031250 k( 214) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0031250 k( 215) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0031250 k( 216) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0031250 k( 217) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0031250 k( 218) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 219) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 220) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031250 k( 221) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031250 k( 222) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031250 k( 223) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031250 k( 224) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031250 k( 225) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031250 k( 226) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031250 k( 227) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031250 k( 228) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031250 k( 229) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031250 k( 230) = ( 0.5441177 0.2500000 0.7058824), wk = 0.0031250 k( 231) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031250 k( 232) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031250 k( 233) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031250 k( 234) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031250 k( 235) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031250 k( 236) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 237) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 238) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031250 k( 239) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031250 k( 240) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031250 k( 241) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031250 k( 242) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031250 k( 243) = ( 0.5000000 0.2941177 0.7058824), wk = 0.0031250 k( 244) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031250 k( 245) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031250 k( 246) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031250 k( 247) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031250 k( 248) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031250 k( 249) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031250 k( 250) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031250 k( 251) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031250 k( 252) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031250 k( 253) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031250 k( 254) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031250 k( 255) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031250 k( 256) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031250 k( 257) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031250 k( 258) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031250 k( 259) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031250 k( 260) = ( 0.5000000 0.4191177 0.5808823), wk = 0.0031250 k( 261) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031250 k( 262) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031250 k( 263) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031250 k( 264) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031250 k( 265) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0031250 k( 266) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031250 k( 267) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031250 k( 268) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031250 k( 269) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031250 k( 270) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031250 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 273) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0031250 k( 274) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0031250 k( 275) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0031250 k( 276) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0031250 k( 277) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0031250 k( 278) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0031250 k( 279) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0031250 k( 280) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0031250 k( 281) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0031250 k( 282) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0031250 k( 283) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0031250 k( 284) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0031250 k( 285) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0031250 k( 286) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0031250 k( 287) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0031250 k( 288) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0031250 k( 289) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0031250 k( 290) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0031250 k( 291) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0031250 k( 292) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0031250 k( 293) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0031250 k( 294) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0031250 k( 295) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0031250 k( 296) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0031250 k( 297) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0031250 k( 298) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0031250 k( 299) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0031250 k( 300) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0031250 k( 301) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0031250 k( 302) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 303) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 304) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031250 k( 305) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031250 k( 306) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031250 k( 307) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031250 k( 308) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031250 k( 309) = ( 0.5808823 0.1617647 0.5808824), wk = 0.0031250 k( 310) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031250 k( 311) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031250 k( 312) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031250 k( 313) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031250 k( 314) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031250 k( 315) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031250 k( 316) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031250 k( 317) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031250 k( 318) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031250 k( 319) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031250 k( 320) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 Dense grid: 34015 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 20395 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 148, 56) NL pseudopotentials 0.15 Mb ( 74, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 946) G-vector shells 0.00 Mb ( 293) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 148, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.23 Mb ( 136, 2, 56) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./YInCu2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 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 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.2 secs Computing kpt #: 14 total cpu time spent up to now is 8.6 secs Computing kpt #: 15 total cpu time spent up to now is 9.1 secs Computing kpt #: 16 total cpu time spent up to now is 9.5 secs Computing kpt #: 17 total cpu time spent up to now is 9.9 secs Computing kpt #: 18 total cpu time spent up to now is 10.4 secs Computing kpt #: 19 total cpu time spent up to now is 10.7 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.3 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.1 secs Computing kpt #: 26 total cpu time spent up to now is 13.5 secs Computing kpt #: 27 total cpu time spent up to now is 13.9 secs Computing kpt #: 28 total cpu time spent up to now is 14.3 secs Computing kpt #: 29 total cpu time spent up to now is 14.7 secs Computing kpt #: 30 total cpu time spent up to now is 15.1 secs Computing kpt #: 31 total cpu time spent up to now is 15.4 secs Computing kpt #: 32 total cpu time spent up to now is 15.8 secs Computing kpt #: 33 total cpu time spent up to now is 16.1 secs Computing kpt #: 34 total cpu time spent up to now is 16.5 secs Computing kpt #: 35 total cpu time spent up to now is 16.9 secs Computing kpt #: 36 total cpu time spent up to now is 17.2 secs Computing kpt #: 37 total cpu time spent up to now is 17.6 secs Computing kpt #: 38 total cpu time spent up to now is 17.9 secs Computing kpt #: 39 total cpu time spent up to now is 18.3 secs Computing kpt #: 40 total cpu time spent up to now is 18.6 secs Computing kpt #: 41 total cpu time spent up to now is 18.9 secs Computing kpt #: 42 total cpu time spent up to now is 19.3 secs Computing kpt #: 43 total cpu time spent up to now is 19.6 secs Computing kpt #: 44 total cpu time spent up to now is 20.0 secs Computing kpt #: 45 total cpu time spent up to now is 20.3 secs Computing kpt #: 46 total cpu time spent up to now is 20.6 secs Computing kpt #: 47 total cpu time spent up to now is 21.0 secs Computing kpt #: 48 total cpu time spent up to now is 21.3 secs Computing kpt #: 49 total cpu time spent up to now is 21.6 secs Computing kpt #: 50 total cpu time spent up to now is 22.0 secs Computing kpt #: 51 total cpu time spent up to now is 22.3 secs Computing kpt #: 52 total cpu time spent up to now is 22.7 secs Computing kpt #: 53 total cpu time spent up to now is 23.1 secs Computing kpt #: 54 total cpu time spent up to now is 23.5 secs Computing kpt #: 55 total cpu time spent up to now is 23.9 secs Computing kpt #: 56 total cpu time spent up to now is 24.3 secs Computing kpt #: 57 total cpu time spent up to now is 24.6 secs Computing kpt #: 58 total cpu time spent up to now is 25.0 secs Computing kpt #: 59 total cpu time spent up to now is 25.4 secs Computing kpt #: 60 total cpu time spent up to now is 25.8 secs Computing kpt #: 61 total cpu time spent up to now is 26.1 secs Computing kpt #: 62 total cpu time spent up to now is 26.5 secs Computing kpt #: 63 total cpu time spent up to now is 26.9 secs Computing kpt #: 64 total cpu time spent up to now is 27.2 secs Computing kpt #: 65 total cpu time spent up to now is 27.6 secs Computing kpt #: 66 total cpu time spent up to now is 28.0 secs Computing kpt #: 67 total cpu time spent up to now is 28.3 secs Computing kpt #: 68 total cpu time spent up to now is 28.7 secs Computing kpt #: 69 total cpu time spent up to now is 29.1 secs Computing kpt #: 70 total cpu time spent up to now is 29.4 secs Computing kpt #: 71 total cpu time spent up to now is 29.8 secs Computing kpt #: 72 total cpu time spent up to now is 30.1 secs Computing kpt #: 73 total cpu time spent up to now is 30.5 secs Computing kpt #: 74 total cpu time spent up to now is 30.9 secs Computing kpt #: 75 total cpu time spent up to now is 31.2 secs Computing kpt #: 76 total cpu time spent up to now is 31.6 secs Computing kpt #: 77 total cpu time spent up to now is 31.9 secs Computing kpt #: 78 total cpu time spent up to now is 32.3 secs Computing kpt #: 79 total cpu time spent up to now is 32.7 secs Computing kpt #: 80 total cpu time spent up to now is 33.0 secs Computing kpt #: 81 total cpu time spent up to now is 33.4 secs Computing kpt #: 82 total cpu time spent up to now is 33.8 secs Computing kpt #: 83 total cpu time spent up to now is 34.1 secs Computing kpt #: 84 total cpu time spent up to now is 34.5 secs Computing kpt #: 85 total cpu time spent up to now is 34.9 secs Computing kpt #: 86 total cpu time spent up to now is 35.2 secs Computing kpt #: 87 total cpu time spent up to now is 35.6 secs Computing kpt #: 88 total cpu time spent up to now is 36.0 secs Computing kpt #: 89 total cpu time spent up to now is 36.4 secs Computing kpt #: 90 total cpu time spent up to now is 36.7 secs Computing kpt #: 91 total cpu time spent up to now is 37.1 secs Computing kpt #: 92 total cpu time spent up to now is 37.5 secs Computing kpt #: 93 total cpu time spent up to now is 37.8 secs Computing kpt #: 94 total cpu time spent up to now is 38.2 secs Computing kpt #: 95 total cpu time spent up to now is 38.6 secs Computing kpt #: 96 total cpu time spent up to now is 38.9 secs Computing kpt #: 97 total cpu time spent up to now is 39.3 secs Computing kpt #: 98 total cpu time spent up to now is 39.7 secs Computing kpt #: 99 total cpu time spent up to now is 40.0 secs Computing kpt #: 100 total cpu time spent up to now is 40.4 secs Computing kpt #: 101 total cpu time spent up to now is 40.8 secs Computing kpt #: 102 total cpu time spent up to now is 41.2 secs Computing kpt #: 103 total cpu time spent up to now is 41.6 secs Computing kpt #: 104 total cpu time spent up to now is 42.0 secs Computing kpt #: 105 total cpu time spent up to now is 42.3 secs Computing kpt #: 106 total cpu time spent up to now is 42.7 secs Computing kpt #: 107 total cpu time spent up to now is 43.1 secs Computing kpt #: 108 total cpu time spent up to now is 43.4 secs Computing kpt #: 109 total cpu time spent up to now is 43.8 secs Computing kpt #: 110 total cpu time spent up to now is 44.1 secs Computing kpt #: 111 total cpu time spent up to now is 44.5 secs Computing kpt #: 112 total cpu time spent up to now is 44.9 secs Computing kpt #: 113 total cpu time spent up to now is 45.2 secs Computing kpt #: 114 total cpu time spent up to now is 45.6 secs Computing kpt #: 115 total cpu time spent up to now is 45.9 secs Computing kpt #: 116 total cpu time spent up to now is 46.3 secs Computing kpt #: 117 total cpu time spent up to now is 46.7 secs Computing kpt #: 118 total cpu time spent up to now is 47.1 secs Computing kpt #: 119 total cpu time spent up to now is 47.4 secs Computing kpt #: 120 total cpu time spent up to now is 47.8 secs Computing kpt #: 121 total cpu time spent up to now is 48.2 secs Computing kpt #: 122 total cpu time spent up to now is 48.5 secs Computing kpt #: 123 total cpu time spent up to now is 48.9 secs Computing kpt #: 124 total cpu time spent up to now is 49.4 secs Computing kpt #: 125 total cpu time spent up to now is 49.8 secs Computing kpt #: 126 total cpu time spent up to now is 50.2 secs Computing kpt #: 127 total cpu time spent up to now is 50.6 secs Computing kpt #: 128 total cpu time spent up to now is 51.0 secs Computing kpt #: 129 total cpu time spent up to now is 51.4 secs Computing kpt #: 130 total cpu time spent up to now is 51.8 secs Computing kpt #: 131 total cpu time spent up to now is 52.1 secs Computing kpt #: 132 total cpu time spent up to now is 52.5 secs Computing kpt #: 133 total cpu time spent up to now is 52.9 secs Computing kpt #: 134 total cpu time spent up to now is 53.2 secs Computing kpt #: 135 total cpu time spent up to now is 53.6 secs Computing kpt #: 136 total cpu time spent up to now is 54.0 secs Computing kpt #: 137 total cpu time spent up to now is 54.4 secs Computing kpt #: 138 total cpu time spent up to now is 54.8 secs Computing kpt #: 139 total cpu time spent up to now is 55.2 secs Computing kpt #: 140 total cpu time spent up to now is 55.6 secs Computing kpt #: 141 total cpu time spent up to now is 56.0 secs Computing kpt #: 142 total cpu time spent up to now is 56.4 secs Computing kpt #: 143 total cpu time spent up to now is 56.8 secs Computing kpt #: 144 total cpu time spent up to now is 57.1 secs Computing kpt #: 145 total cpu time spent up to now is 57.5 secs Computing kpt #: 146 total cpu time spent up to now is 57.9 secs Computing kpt #: 147 total cpu time spent up to now is 58.3 secs Computing kpt #: 148 total cpu time spent up to now is 58.7 secs Computing kpt #: 149 total cpu time spent up to now is 59.1 secs Computing kpt #: 150 total cpu time spent up to now is 59.5 secs Computing kpt #: 151 total cpu time spent up to now is 59.8 secs Computing kpt #: 152 total cpu time spent up to now is 60.2 secs Computing kpt #: 153 total cpu time spent up to now is 60.6 secs Computing kpt #: 154 total cpu time spent up to now is 61.0 secs Computing kpt #: 155 total cpu time spent up to now is 61.4 secs Computing kpt #: 156 total cpu time spent up to now is 61.8 secs Computing kpt #: 157 total cpu time spent up to now is 62.1 secs Computing kpt #: 158 total cpu time spent up to now is 62.5 secs Computing kpt #: 159 total cpu time spent up to now is 62.9 secs Computing kpt #: 160 total cpu time spent up to now is 63.3 secs Computing kpt #: 161 total cpu time spent up to now is 63.7 secs Computing kpt #: 162 total cpu time spent up to now is 64.1 secs Computing kpt #: 163 total cpu time spent up to now is 64.6 secs Computing kpt #: 164 total cpu time spent up to now is 65.0 secs Computing kpt #: 165 total cpu time spent up to now is 65.4 secs Computing kpt #: 166 total cpu time spent up to now is 65.8 secs Computing kpt #: 167 total cpu time spent up to now is 66.3 secs Computing kpt #: 168 total cpu time spent up to now is 66.9 secs Computing kpt #: 169 total cpu time spent up to now is 67.5 secs Computing kpt #: 170 total cpu time spent up to now is 68.0 secs Computing kpt #: 171 total cpu time spent up to now is 68.5 secs Computing kpt #: 172 total cpu time spent up to now is 69.0 secs Computing kpt #: 173 total cpu time spent up to now is 69.4 secs Computing kpt #: 174 total cpu time spent up to now is 69.8 secs Computing kpt #: 175 total cpu time spent up to now is 70.2 secs Computing kpt #: 176 total cpu time spent up to now is 70.6 secs Computing kpt #: 177 total cpu time spent up to now is 71.0 secs Computing kpt #: 178 total cpu time spent up to now is 71.4 secs Computing kpt #: 179 total cpu time spent up to now is 71.7 secs Computing kpt #: 180 total cpu time spent up to now is 72.1 secs Computing kpt #: 181 total cpu time spent up to now is 72.5 secs Computing kpt #: 182 total cpu time spent up to now is 72.9 secs Computing kpt #: 183 total cpu time spent up to now is 73.3 secs Computing kpt #: 184 total cpu time spent up to now is 73.7 secs Computing kpt #: 185 total cpu time spent up to now is 74.0 secs Computing kpt #: 186 total cpu time spent up to now is 74.4 secs Computing kpt #: 187 total cpu time spent up to now is 74.8 secs Computing kpt #: 188 total cpu time spent up to now is 75.2 secs Computing kpt #: 189 total cpu time spent up to now is 75.6 secs Computing kpt #: 190 total cpu time spent up to now is 76.0 secs Computing kpt #: 191 total cpu time spent up to now is 76.4 secs Computing kpt #: 192 total cpu time spent up to now is 76.8 secs Computing kpt #: 193 total cpu time spent up to now is 77.2 secs Computing kpt #: 194 total cpu time spent up to now is 77.6 secs Computing kpt #: 195 total cpu time spent up to now is 78.0 secs Computing kpt #: 196 total cpu time spent up to now is 78.4 secs Computing kpt #: 197 total cpu time spent up to now is 78.8 secs Computing kpt #: 198 total cpu time spent up to now is 79.2 secs Computing kpt #: 199 total cpu time spent up to now is 79.7 secs Computing kpt #: 200 total cpu time spent up to now is 80.1 secs Computing kpt #: 201 total cpu time spent up to now is 80.5 secs Computing kpt #: 202 total cpu time spent up to now is 80.9 secs Computing kpt #: 203 total cpu time spent up to now is 81.3 secs Computing kpt #: 204 total cpu time spent up to now is 81.7 secs Computing kpt #: 205 total cpu time spent up to now is 82.2 secs Computing kpt #: 206 total cpu time spent up to now is 82.6 secs Computing kpt #: 207 total cpu time spent up to now is 83.0 secs Computing kpt #: 208 total cpu time spent up to now is 83.4 secs Computing kpt #: 209 total cpu time spent up to now is 83.8 secs Computing kpt #: 210 total cpu time spent up to now is 84.2 secs Computing kpt #: 211 total cpu time spent up to now is 84.5 secs Computing kpt #: 212 total cpu time spent up to now is 84.9 secs Computing kpt #: 213 total cpu time spent up to now is 85.3 secs Computing kpt #: 214 total cpu time spent up to now is 85.7 secs Computing kpt #: 215 total cpu time spent up to now is 86.0 secs Computing kpt #: 216 total cpu time spent up to now is 86.4 secs Computing kpt #: 217 total cpu time spent up to now is 86.8 secs Computing kpt #: 218 total cpu time spent up to now is 87.2 secs Computing kpt #: 219 total cpu time spent up to now is 87.5 secs Computing kpt #: 220 total cpu time spent up to now is 87.9 secs Computing kpt #: 221 total cpu time spent up to now is 88.3 secs Computing kpt #: 222 total cpu time spent up to now is 88.6 secs Computing kpt #: 223 total cpu time spent up to now is 89.0 secs Computing kpt #: 224 total cpu time spent up to now is 89.4 secs Computing kpt #: 225 total cpu time spent up to now is 89.7 secs Computing kpt #: 226 total cpu time spent up to now is 90.1 secs Computing kpt #: 227 total cpu time spent up to now is 90.5 secs Computing kpt #: 228 total cpu time spent up to now is 90.9 secs Computing kpt #: 229 total cpu time spent up to now is 91.2 secs Computing kpt #: 230 total cpu time spent up to now is 91.6 secs Computing kpt #: 231 total cpu time spent up to now is 92.0 secs Computing kpt #: 232 total cpu time spent up to now is 92.3 secs Computing kpt #: 233 total cpu time spent up to now is 92.7 secs Computing kpt #: 234 total cpu time spent up to now is 93.1 secs Computing kpt #: 235 total cpu time spent up to now is 93.4 secs Computing kpt #: 236 total cpu time spent up to now is 93.8 secs Computing kpt #: 237 total cpu time spent up to now is 94.1 secs Computing kpt #: 238 total cpu time spent up to now is 94.5 secs Computing kpt #: 239 total cpu time spent up to now is 94.8 secs Computing kpt #: 240 total cpu time spent up to now is 95.2 secs Computing kpt #: 241 total cpu time spent up to now is 95.6 secs Computing kpt #: 242 total cpu time spent up to now is 95.9 secs Computing kpt #: 243 total cpu time spent up to now is 96.3 secs Computing kpt #: 244 total cpu time spent up to now is 96.7 secs Computing kpt #: 245 total cpu time spent up to now is 97.1 secs Computing kpt #: 246 total cpu time spent up to now is 97.5 secs Computing kpt #: 247 total cpu time spent up to now is 97.8 secs Computing kpt #: 248 total cpu time spent up to now is 98.2 secs Computing kpt #: 249 total cpu time spent up to now is 98.6 secs Computing kpt #: 250 total cpu time spent up to now is 99.0 secs Computing kpt #: 251 total cpu time spent up to now is 99.4 secs Computing kpt #: 252 total cpu time spent up to now is 99.8 secs Computing kpt #: 253 total cpu time spent up to now is 100.2 secs Computing kpt #: 254 total cpu time spent up to now is 100.6 secs Computing kpt #: 255 total cpu time spent up to now is 101.0 secs Computing kpt #: 256 total cpu time spent up to now is 101.4 secs Computing kpt #: 257 total cpu time spent up to now is 101.8 secs Computing kpt #: 258 total cpu time spent up to now is 102.2 secs Computing kpt #: 259 total cpu time spent up to now is 102.6 secs Computing kpt #: 260 total cpu time spent up to now is 103.0 secs Computing kpt #: 261 total cpu time spent up to now is 103.4 secs Computing kpt #: 262 total cpu time spent up to now is 103.8 secs Computing kpt #: 263 total cpu time spent up to now is 104.2 secs Computing kpt #: 264 total cpu time spent up to now is 104.7 secs Computing kpt #: 265 total cpu time spent up to now is 105.1 secs Computing kpt #: 266 total cpu time spent up to now is 105.5 secs Computing kpt #: 267 total cpu time spent up to now is 105.9 secs Computing kpt #: 268 total cpu time spent up to now is 106.3 secs Computing kpt #: 269 total cpu time spent up to now is 106.7 secs Computing kpt #: 270 total cpu time spent up to now is 107.0 secs Computing kpt #: 271 total cpu time spent up to now is 107.4 secs Computing kpt #: 272 total cpu time spent up to now is 107.8 secs Computing kpt #: 273 total cpu time spent up to now is 108.2 secs Computing kpt #: 274 total cpu time spent up to now is 108.6 secs Computing kpt #: 275 total cpu time spent up to now is 109.0 secs Computing kpt #: 276 total cpu time spent up to now is 109.4 secs Computing kpt #: 277 total cpu time spent up to now is 109.8 secs Computing kpt #: 278 total cpu time spent up to now is 110.2 secs Computing kpt #: 279 total cpu time spent up to now is 110.6 secs Computing kpt #: 280 total cpu time spent up to now is 111.0 secs Computing kpt #: 281 total cpu time spent up to now is 111.4 secs Computing kpt #: 282 total cpu time spent up to now is 111.8 secs Computing kpt #: 283 total cpu time spent up to now is 112.3 secs Computing kpt #: 284 total cpu time spent up to now is 112.7 secs Computing kpt #: 285 total cpu time spent up to now is 113.1 secs Computing kpt #: 286 total cpu time spent up to now is 113.8 secs Computing kpt #: 287 total cpu time spent up to now is 114.3 secs Computing kpt #: 288 total cpu time spent up to now is 114.7 secs Computing kpt #: 289 total cpu time spent up to now is 115.1 secs Computing kpt #: 290 total cpu time spent up to now is 115.5 secs Computing kpt #: 291 total cpu time spent up to now is 115.9 secs Computing kpt #: 292 total cpu time spent up to now is 116.3 secs Computing kpt #: 293 total cpu time spent up to now is 116.7 secs Computing kpt #: 294 total cpu time spent up to now is 117.1 secs Computing kpt #: 295 total cpu time spent up to now is 117.5 secs Computing kpt #: 296 total cpu time spent up to now is 117.9 secs Computing kpt #: 297 total cpu time spent up to now is 118.3 secs Computing kpt #: 298 total cpu time spent up to now is 118.6 secs Computing kpt #: 299 total cpu time spent up to now is 119.0 secs Computing kpt #: 300 total cpu time spent up to now is 119.4 secs Computing kpt #: 301 total cpu time spent up to now is 119.7 secs Computing kpt #: 302 total cpu time spent up to now is 120.1 secs Computing kpt #: 303 total cpu time spent up to now is 120.5 secs Computing kpt #: 304 total cpu time spent up to now is 120.8 secs Computing kpt #: 305 total cpu time spent up to now is 121.2 secs Computing kpt #: 306 total cpu time spent up to now is 121.5 secs Computing kpt #: 307 total cpu time spent up to now is 121.9 secs Computing kpt #: 308 total cpu time spent up to now is 122.3 secs Computing kpt #: 309 total cpu time spent up to now is 122.6 secs Computing kpt #: 310 total cpu time spent up to now is 123.0 secs Computing kpt #: 311 total cpu time spent up to now is 123.4 secs Computing kpt #: 312 total cpu time spent up to now is 123.7 secs Computing kpt #: 313 total cpu time spent up to now is 124.1 secs Computing kpt #: 314 total cpu time spent up to now is 124.4 secs Computing kpt #: 315 total cpu time spent up to now is 124.8 secs Computing kpt #: 316 total cpu time spent up to now is 125.1 secs Computing kpt #: 317 total cpu time spent up to now is 125.5 secs Computing kpt #: 318 total cpu time spent up to now is 125.8 secs Computing kpt #: 319 total cpu time spent up to now is 126.1 secs Computing kpt #: 320 total cpu time spent up to now is 126.5 secs ethr = 2.17E-08, avg # of iterations = 17.1 total cpu time spent up to now is 126.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): -29.7151 -29.7151 -10.7678 -10.7678 -9.3442 -9.3442 -9.3442 -9.3442 -2.1747 -2.1747 -2.1747 -2.1747 -1.3303 -1.3303 -1.3303 -1.3303 -1.3303 -1.3303 3.9076 3.9076 9.0247 9.0247 9.0247 9.0247 9.0632 9.0632 9.0632 9.0632 9.1487 9.1487 9.6797 9.6797 9.6797 9.6797 9.8203 9.8203 10.0648 10.0648 10.0648 10.0648 12.2995 12.2995 12.3181 12.3181 12.3181 12.3181 15.0177 15.0177 15.0250 15.0250 15.1780 15.1780 15.1780 15.1780 15.4506 15.4506 k = 0.0104-0.0060 0.0085 ( 2637 PWs) bands (ev): -29.7151 -29.7151 -10.7678 -10.7678 -9.3442 -9.3442 -9.3442 -9.3442 -2.1747 -2.1747 -2.1747 -2.1747 -1.3303 -1.3303 -1.3303 -1.3303 -1.3302 -1.3302 3.9094 3.9094 9.0206 9.0206 9.0249 9.0249 9.0635 9.0635 9.0665 9.0665 9.1490 9.1490 9.6797 9.6797 9.6798 9.6798 9.8203 9.8203 10.0637 10.0637 10.0648 10.0648 12.2965 12.2965 12.3144 12.3144 12.3152 12.3152 14.9829 14.9829 15.0256 15.0256 15.1758 15.1758 15.1781 15.1781 15.4555 15.4555 k = 0.0208-0.0120 0.0170 ( 2637 PWs) bands (ev): -29.7151 -29.7151 -10.7679 -10.7679 -9.3444 -9.3444 -9.3443 -9.3443 -2.1747 -2.1747 -2.1745 -2.1745 -1.3303 -1.3303 -1.3302 -1.3302 -1.3301 -1.3301 3.9147 3.9147 9.0106 9.0106 9.0254 9.0254 9.0643 9.0643 9.0739 9.0739 9.1499 9.1499 9.6795 9.6795 9.6800 9.6800 9.8203 9.8203 10.0605 10.0605 10.0647 10.0647 12.2873 12.2873 12.3041 12.3041 12.3068 12.3068 14.8746 14.8746 15.0491 15.0491 15.1783 15.1783 15.1839 15.1839 15.4699 15.4699 k = 0.0312-0.0180 0.0255 ( 2633 PWs) bands (ev): -29.7150 -29.7150 -10.7681 -10.7681 -9.3447 -9.3447 -9.3444 -9.3444 -2.1747 -2.1747 -2.1742 -2.1742 -1.3304 -1.3304 -1.3299 -1.3299 -1.3297 -1.3297 3.9236 3.9236 8.9976 8.9976 9.0263 9.0263 9.0656 9.0656 9.0828 9.0828 9.1514 9.1514 9.6792 9.6792 9.6804 9.6804 9.8203 9.8203 10.0551 10.0551 10.0646 10.0646 12.2706 12.2706 12.2890 12.2890 12.2930 12.2930 14.7337 14.7337 15.0877 15.0877 15.1787 15.1787 15.2063 15.2063 15.4937 15.4937 k = 0.0417-0.0241 0.0340 ( 2617 PWs) bands (ev): -29.7150 -29.7150 -10.7683 -10.7683 -9.3452 -9.3452 -9.3445 -9.3445 -2.1746 -2.1746 -2.1738 -2.1738 -1.3303 -1.3303 -1.3295 -1.3295 -1.3292 -1.3292 3.9360 3.9360 8.9825 8.9825 9.0277 9.0277 9.0675 9.0675 9.0918 9.0918 9.1535 9.1535 9.6789 9.6789 9.6812 9.6812 9.8205 9.8205 10.0477 10.0477 10.0644 10.0644 12.2460 12.2460 12.2707 12.2707 12.2742 12.2742 14.5789 14.5789 15.1405 15.1405 15.1793 15.1793 15.2402 15.2402 15.5267 15.5267 k = 0.0521-0.0301 0.0425 ( 2609 PWs) bands (ev): -29.7150 -29.7150 -10.7685 -10.7685 -9.3457 -9.3457 -9.3447 -9.3447 -2.1745 -2.1745 -2.1733 -2.1733 -1.3304 -1.3304 -1.3292 -1.3292 -1.3285 -1.3285 3.9519 3.9519 8.9657 8.9657 9.0293 9.0293 9.0699 9.0699 9.1008 9.1008 9.1563 9.1563 9.6783 9.6783 9.6819 9.6819 9.8205 9.8205 10.0386 10.0386 10.0642 10.0642 12.2143 12.2143 12.2494 12.2494 12.2508 12.2508 14.4183 14.4183 15.1794 15.1794 15.2073 15.2073 15.2839 15.2839 15.5682 15.5682 k = 0.0625-0.0361 0.0510 ( 2605 PWs) bands (ev): -29.7149 -29.7149 -10.7689 -10.7689 -9.3464 -9.3464 -9.3449 -9.3449 -2.1744 -2.1744 -2.1727 -2.1727 -1.3304 -1.3304 -1.3287 -1.3287 -1.3279 -1.3279 3.9713 3.9713 8.9473 8.9473 9.0314 9.0314 9.0729 9.0729 9.1096 9.1096 9.1598 9.1598 9.6774 9.6774 9.6826 9.6826 9.8203 9.8203 10.0272 10.0272 10.0640 10.0640 12.1772 12.1772 12.2234 12.2234 12.2252 12.2252 14.2559 14.2559 15.1804 15.1804 15.2856 15.2856 15.3364 15.3364 15.6177 15.6177 k = 0.0729-0.0421 0.0595 ( 2601 PWs) bands (ev): -29.7149 -29.7149 -10.7692 -10.7692 -9.3472 -9.3472 -9.3452 -9.3452 -2.1743 -2.1743 -2.1721 -2.1721 -1.3305 -1.3305 -1.3282 -1.3282 -1.3272 -1.3272 3.9941 3.9941 8.9274 8.9274 9.0337 9.0337 9.0763 9.0763 9.1181 9.1181 9.1640 9.1640 9.6763 9.6763 9.6834 9.6834 9.8200 9.8200 10.0139 10.0139 10.0636 10.0636 12.1360 12.1360 12.1926 12.1926 12.1981 12.1981 14.0940 14.0940 15.1814 15.1814 15.3752 15.3752 15.3968 15.3968 15.6747 15.6747 k = 0.0833-0.0481 0.0680 ( 2577 PWs) bands (ev): -29.7148 -29.7148 -10.7697 -10.7697 -9.3481 -9.3481 -9.3455 -9.3455 -2.1741 -2.1741 -2.1713 -2.1713 -1.3304 -1.3304 -1.3275 -1.3275 -1.3262 -1.3262 4.0204 4.0204 8.9060 8.9060 9.0364 9.0364 9.0804 9.0804 9.1265 9.1265 9.1691 9.1691 9.6749 9.6749 9.6845 9.6845 9.8197 9.8197 9.9990 9.9990 10.0634 10.0634 12.0919 12.0919 12.1589 12.1589 12.1686 12.1686 13.9338 13.9338 15.1825 15.1825 15.4643 15.4643 15.4748 15.4748 15.7384 15.7384 k = 0.0938-0.0541 0.0765 ( 2577 PWs) bands (ev): -29.7148 -29.7148 -10.7701 -10.7701 -9.3491 -9.3491 -9.3458 -9.3458 -2.1740 -2.1740 -2.1705 -2.1705 -1.3305 -1.3305 -1.3268 -1.3268 -1.3254 -1.3254 4.0501 4.0501 8.8828 8.8828 9.0394 9.0394 9.0846 9.0846 9.1345 9.1345 9.1747 9.1747 9.6728 9.6728 9.6855 9.6855 9.8190 9.8190 9.9826 9.9826 10.0631 10.0631 12.0458 12.0458 12.1230 12.1230 12.1372 12.1372 13.7761 13.7761 15.1837 15.1837 15.5378 15.5378 15.5835 15.5835 15.7705 15.7705 k = 0.1042-0.0601 0.0851 ( 2577 PWs) bands (ev): -29.7147 -29.7147 -10.7707 -10.7707 -9.3503 -9.3503 -9.3462 -9.3462 -2.1739 -2.1739 -2.1697 -2.1697 -1.3306 -1.3306 -1.3261 -1.3261 -1.3244 -1.3244 4.0832 4.0832 8.8581 8.8581 9.0427 9.0427 9.0893 9.0893 9.1421 9.1421 9.1812 9.1812 9.6700 9.6700 9.6866 9.6866 9.8180 9.8180 9.9650 9.9650 10.0627 10.0627 11.9986 11.9986 12.0853 12.0853 12.1042 12.1042 13.6216 13.6216 15.1850 15.1850 15.6166 15.6166 15.7002 15.7002 15.7940 15.7940 k = 0.1146-0.0662 0.0936 ( 2585 PWs) bands (ev): -29.7147 -29.7147 -10.7713 -10.7713 -9.3515 -9.3515 -9.3467 -9.3467 -2.1738 -2.1738 -2.1689 -2.1689 -1.3307 -1.3307 -1.3255 -1.3255 -1.3235 -1.3235 4.1195 4.1195 8.8317 8.8317 9.0461 9.0461 9.0943 9.0943 9.1495 9.1495 9.1883 9.1883 9.6663 9.6663 9.6878 9.6878 9.8163 9.8163 9.9467 9.9467 10.0622 10.0622 11.9511 11.9511 12.0465 12.0465 12.0701 12.0701 13.4705 13.4705 15.1864 15.1864 15.6994 15.6994 15.8185 15.8185 15.8242 15.8242 k = 0.1250-0.0722 0.1021 ( 2585 PWs) bands (ev): -29.7146 -29.7146 -10.7719 -10.7719 -9.3527 -9.3527 -9.3471 -9.3471 -2.1737 -2.1737 -2.1680 -2.1680 -1.3308 -1.3308 -1.3247 -1.3247 -1.3224 -1.3224 4.1591 4.1591 8.8038 8.8038 9.0501 9.0501 9.0997 9.0997 9.1568 9.1568 9.1962 9.1962 9.6614 9.6614 9.6890 9.6890 9.8139 9.8139 9.9284 9.9284 10.0617 10.0617 11.9038 11.9038 12.0070 12.0070 12.0355 12.0355 13.3231 13.3231 15.1880 15.1880 15.7845 15.7845 15.8450 15.8450 15.9546 15.9546 k = 0.1354-0.0782 0.1106 ( 2585 PWs) bands (ev): -29.7145 -29.7145 -10.7726 -10.7726 -9.3541 -9.3541 -9.3476 -9.3476 -2.1736 -2.1736 -2.1671 -2.1671 -1.3310 -1.3310 -1.3238 -1.3238 -1.3214 -1.3214 4.2019 4.2019 8.7742 8.7742 9.0543 9.0543 9.1054 9.1054 9.1639 9.1639 9.2046 9.2046 9.6549 9.6549 9.6901 9.6901 9.8103 9.8103 9.9108 9.9108 10.0613 10.0613 11.8573 11.8573 11.9673 11.9673 12.0007 12.0007 13.1796 13.1796 15.1897 15.1897 15.8586 15.8586 15.8857 15.8857 16.0908 16.0908 k = 0.1458-0.0842 0.1191 ( 2585 PWs) bands (ev): -29.7145 -29.7145 -10.7733 -10.7733 -9.3555 -9.3555 -9.3481 -9.3481 -2.1735 -2.1735 -2.1662 -2.1662 -1.3311 -1.3311 -1.3229 -1.3229 -1.3204 -1.3204 4.2478 4.2478 8.7432 8.7432 9.0588 9.0588 9.1114 9.1114 9.1710 9.1710 9.2136 9.2136 9.6464 9.6464 9.6913 9.6913 9.8054 9.8054 9.8950 9.8950 10.0608 10.0608 11.8120 11.8120 11.9277 11.9277 11.9660 11.9660 13.0401 13.0401 15.1915 15.1915 15.8930 15.8930 15.9682 15.9682 16.2126 16.2126 k = 0.1562-0.0902 0.1276 ( 2585 PWs) bands (ev): -29.7144 -29.7144 -10.7740 -10.7740 -9.3570 -9.3570 -9.3487 -9.3487 -2.1733 -2.1733 -2.1653 -2.1653 -1.3312 -1.3312 -1.3220 -1.3220 -1.3193 -1.3193 4.2968 4.2968 8.7107 8.7107 9.0635 9.0635 9.1177 9.1177 9.1781 9.1781 9.2229 9.2229 9.6351 9.6351 9.6924 9.6924 9.7987 9.7987 9.8816 9.8816 10.0603 10.0603 11.7681 11.7681 11.8886 11.8886 11.9319 11.9319 12.9045 12.9045 15.1934 15.1934 15.9223 15.9223 16.0563 16.0563 16.2969 16.2969 k = 0.1667-0.0962 0.1361 ( 2593 PWs) bands (ev): -29.7143 -29.7143 -10.7748 -10.7748 -9.3585 -9.3585 -9.3492 -9.3492 -2.1732 -2.1732 -2.1644 -2.1644 -1.3314 -1.3314 -1.3211 -1.3211 -1.3184 -1.3184 4.3486 4.3486 8.6769 8.6769 9.0685 9.0685 9.1240 9.1240 9.1851 9.1851 9.2326 9.2326 9.6208 9.6208 9.6933 9.6933 9.7907 9.7907 9.8712 9.8712 10.0597 10.0597 11.7259 11.7259 11.8504 11.8504 11.8986 11.8986 12.7729 12.7729 15.1954 15.1954 15.9520 15.9520 16.1429 16.1429 16.3782 16.3782 k = 0.1771-0.1022 0.1446 ( 2593 PWs) bands (ev): -29.7142 -29.7142 -10.7756 -10.7756 -9.3600 -9.3600 -9.3498 -9.3498 -2.1731 -2.1731 -2.1635 -2.1635 -1.3316 -1.3316 -1.3201 -1.3201 -1.3174 -1.3174 4.4034 4.4034 8.6419 8.6419 9.0737 9.0737 9.1305 9.1305 9.1923 9.1923 9.2426 9.2426 9.6029 9.6029 9.6942 9.6942 9.7819 9.7819 9.8636 9.8636 10.0592 10.0592 11.6856 11.6856 11.8133 11.8133 11.8665 11.8665 12.6453 12.6453 15.1975 15.1975 15.9823 15.9823 16.2253 16.2253 16.4547 16.4547 k = 0.1875-0.1083 0.1531 ( 2577 PWs) bands (ev): -29.7141 -29.7141 -10.7763 -10.7763 -9.3616 -9.3616 -9.3504 -9.3504 -2.1728 -2.1728 -2.1626 -2.1626 -1.3316 -1.3316 -1.3190 -1.3190 -1.3164 -1.3164 4.4609 4.4609 8.6059 8.6059 9.0790 9.0790 9.1372 9.1372 9.1998 9.1998 9.2528 9.2528 9.5816 9.5816 9.6949 9.6949 9.7734 9.7734 9.8581 9.8581 10.0590 10.0590 11.6473 11.6473 11.7776 11.7776 11.8358 11.8358 12.5215 12.5215 15.1998 15.1998 16.0129 16.0129 16.3013 16.3013 16.5239 16.5239 k = 0.1979-0.1143 0.1616 ( 2573 PWs) bands (ev): -29.7140 -29.7140 -10.7771 -10.7771 -9.3631 -9.3631 -9.3510 -9.3510 -2.1727 -2.1727 -2.1617 -2.1617 -1.3317 -1.3317 -1.3179 -1.3179 -1.3154 -1.3154 4.5210 4.5210 8.5688 8.5688 9.0846 9.0846 9.1437 9.1437 9.2073 9.2073 9.2630 9.2630 9.5571 9.5571 9.6954 9.6954 9.7656 9.7656 9.8542 9.8542 10.0585 10.0585 11.6111 11.6111 11.7434 11.7434 11.8067 11.8067 12.4014 12.4014 15.2021 15.2021 16.0436 16.0436 16.3681 16.3681 16.5829 16.5829 k = 0.2083-0.1203 0.1701 ( 2573 PWs) bands (ev): -29.7139 -29.7139 -10.7780 -10.7780 -9.3647 -9.3647 -9.3516 -9.3516 -2.1726 -2.1726 -2.1609 -2.1609 -1.3319 -1.3319 -1.3169 -1.3169 -1.3146 -1.3146 4.5837 4.5837 8.5309 8.5309 9.0903 9.0903 9.1501 9.1501 9.2149 9.2149 9.2733 9.2733 9.5300 9.5300 9.6956 9.6956 9.7586 9.7586 9.8511 9.8511 10.0580 10.0580 11.5768 11.5768 11.7110 11.7110 11.7794 11.7794 12.2850 12.2850 15.2045 15.2045 16.0736 16.0736 16.4230 16.4230 16.6290 16.6290 k = 0.2188-0.1263 0.1786 ( 2573 PWs) bands (ev): -29.7138 -29.7138 -10.7788 -10.7788 -9.3663 -9.3663 -9.3523 -9.3523 -2.1724 -2.1724 -2.1601 -2.1601 -1.3321 -1.3321 -1.3158 -1.3158 -1.3139 -1.3139 4.6487 4.6487 8.4924 8.4924 9.0961 9.0961 9.1560 9.1560 9.2226 9.2226 9.2835 9.2835 9.5010 9.5010 9.6955 9.6955 9.7525 9.7525 9.8487 9.8487 10.0575 10.0575 11.5446 11.5446 11.6806 11.6806 11.7541 11.7541 12.1720 12.1720 15.2069 15.2069 16.1020 16.1020 16.4634 16.4634 16.6599 16.6599 k = 0.2292-0.1323 0.1871 ( 2569 PWs) bands (ev): -29.7137 -29.7137 -10.7796 -10.7796 -9.3679 -9.3679 -9.3529 -9.3529 -2.1723 -2.1723 -2.1594 -2.1594 -1.3322 -1.3322 -1.3147 -1.3147 -1.3132 -1.3132 4.7159 4.7159 8.4534 8.4534 9.1020 9.1020 9.1612 9.1612 9.2304 9.2304 9.2936 9.2936 9.4710 9.4710 9.6952 9.6952 9.7471 9.7471 9.8466 9.8466 10.0570 10.0570 11.5144 11.5144 11.6521 11.6521 11.7309 11.7309 12.0625 12.0625 15.2094 15.2094 16.1274 16.1274 16.4875 16.4875 16.6738 16.6738 k = 0.2396-0.1383 0.1956 ( 2557 PWs) bands (ev): -29.7136 -29.7136 -10.7804 -10.7804 -9.3694 -9.3694 -9.3536 -9.3536 -2.1721 -2.1721 -2.1586 -2.1586 -1.3324 -1.3324 -1.3136 -1.3136 -1.3125 -1.3125 4.7852 4.7852 8.4141 8.4141 9.1081 9.1081 9.1656 9.1656 9.2385 9.2385 9.3036 9.3036 9.4412 9.4412 9.6945 9.6945 9.7421 9.7421 9.8448 9.8448 10.0566 10.0566 11.4861 11.4861 11.6257 11.6257 11.7099 11.7099 11.9563 11.9563 15.2120 15.2120 16.1479 16.1479 16.4943 16.4943 16.6704 16.6704 k = 0.2500-0.1443 0.2041 ( 2557 PWs) bands (ev): -29.7135 -29.7135 -10.7812 -10.7812 -9.3709 -9.3709 -9.3542 -9.3542 -2.1720 -2.1720 -2.1580 -2.1580 -1.3326 -1.3326 -1.3125 -1.3125 -1.3121 -1.3121 4.8564 4.8564 8.3748 8.3748 9.1141 9.1141 9.1681 9.1681 9.2465 9.2465 9.3133 9.3133 9.4121 9.4121 9.6933 9.6933 9.7373 9.7373 9.8431 9.8431 10.0562 10.0562 11.4596 11.4596 11.6014 11.6014 11.6912 11.6912 11.8533 11.8533 15.2145 15.2145 16.1607 16.1607 16.4844 16.4844 16.6506 16.6506 k = 0.2604-0.1504 0.2126 ( 2557 PWs) bands (ev): -29.7134 -29.7134 -10.7820 -10.7820 -9.3724 -9.3724 -9.3549 -9.3549 -2.1719 -2.1719 -2.1575 -2.1575 -1.3327 -1.3327 -1.3117 -1.3117 -1.3115 -1.3115 4.9292 4.9292 8.3356 8.3356 9.1202 9.1202 9.1682 9.1682 9.2546 9.2546 9.3227 9.3227 9.3852 9.3852 9.6917 9.6917 9.7326 9.7326 9.8415 9.8415 10.0558 10.0558 11.4350 11.4350 11.5790 11.5790 11.6749 11.6749 11.7536 11.7536 15.2171 15.2171 16.1621 16.1621 16.4595 16.4595 16.6163 16.6163 k = 0.2708-0.1564 0.2211 ( 2566 PWs) bands (ev): -29.7133 -29.7133 -10.7828 -10.7828 -9.3739 -9.3739 -9.3555 -9.3555 -2.1718 -2.1718 -2.1571 -2.1571 -1.3329 -1.3329 -1.3115 -1.3115 -1.3105 -1.3105 5.0035 5.0035 8.2967 8.2967 9.1263 9.1263 9.1645 9.1645 9.2626 9.2626 9.3316 9.3316 9.3618 9.3618 9.6897 9.6897 9.7276 9.7276 9.8400 9.8400 10.0554 10.0554 11.4119 11.4119 11.5575 11.5575 11.6581 11.6581 11.6610 11.6610 15.2198 15.2198 16.1481 16.1481 16.4223 16.4223 16.5700 16.5700 k = 0.2812-0.1624 0.2296 ( 2558 PWs) bands (ev): -29.7132 -29.7132 -10.7836 -10.7836 -9.3753 -9.3753 -9.3562 -9.3562 -2.1717 -2.1717 -2.1566 -2.1566 -1.3331 -1.3331 -1.3113 -1.3113 -1.3094 -1.3094 5.0790 5.0790 8.2584 8.2584 9.1323 9.1323 9.1564 9.1564 9.2709 9.2709 9.3401 9.3401 9.3437 9.3437 9.6872 9.6872 9.7225 9.7225 9.8386 9.8386 10.0551 10.0551 11.3906 11.3906 11.5290 11.5290 11.5746 11.5746 11.6494 11.6494 15.2224 15.2224 16.1158 16.1158 16.3756 16.3756 16.5143 16.5143 k = 0.2917-0.1684 0.2381 ( 2558 PWs) bands (ev): -29.7132 -29.7132 -10.7844 -10.7844 -9.3767 -9.3767 -9.3568 -9.3568 -2.1716 -2.1716 -2.1563 -2.1563 -1.3333 -1.3333 -1.3111 -1.3111 -1.3084 -1.3084 5.1554 5.1554 8.2209 8.2209 9.1380 9.1380 9.1431 9.1431 9.2791 9.2791 9.3313 9.3313 9.3480 9.3480 9.6841 9.6841 9.7169 9.7169 9.8373 9.8373 10.0548 10.0548 11.3708 11.3708 11.4589 11.4589 11.5377 11.5377 11.6401 11.6401 15.2250 15.2250 16.0652 16.0652 16.3219 16.3219 16.4516 16.4516 k = 0.3021-0.1744 0.2467 ( 2558 PWs) bands (ev): -29.7131 -29.7131 -10.7851 -10.7851 -9.3780 -9.3780 -9.3574 -9.3574 -2.1715 -2.1715 -2.1560 -2.1560 -1.3334 -1.3334 -1.3111 -1.3111 -1.3074 -1.3074 5.2325 5.2325 8.1843 8.1843 9.1240 9.1240 9.1445 9.1445 9.2873 9.2873 9.3248 9.3248 9.3553 9.3553 9.6805 9.6805 9.7110 9.7110 9.8360 9.8360 10.0545 10.0545 11.3524 11.3524 11.3725 11.3725 11.5219 11.5219 11.6331 11.6331 15.2276 15.2276 15.9993 15.9993 16.2630 16.2630 16.3839 16.3839 k = 0.3125-0.1804 0.2552 ( 2554 PWs) bands (ev): -29.7130 -29.7130 -10.7858 -10.7858 -9.3793 -9.3793 -9.3580 -9.3580 -2.1713 -2.1713 -2.1558 -2.1558 -1.3336 -1.3336 -1.3112 -1.3112 -1.3064 -1.3064 5.3100 5.3100 8.1489 8.1489 9.1017 9.1017 9.1504 9.1504 9.2955 9.2955 9.3229 9.3229 9.3618 9.3618 9.6763 9.6763 9.7045 9.7045 9.8351 9.8351 10.0543 10.0543 11.2863 11.2863 11.3353 11.3353 11.5106 11.5106 11.6283 11.6283 15.2302 15.2302 15.9228 15.9228 16.2002 16.2002 16.3130 16.3130 k = 0.3229-0.1864 0.2637 ( 2562 PWs) bands (ev): -29.7129 -29.7129 -10.7865 -10.7865 -9.3805 -9.3805 -9.3586 -9.3586 -2.1713 -2.1713 -2.1557 -2.1557 -1.3338 -1.3338 -1.3113 -1.3113 -1.3055 -1.3055 5.3875 5.3875 8.1148 8.1148 9.0770 9.0770 9.1561 9.1561 9.3036 9.3036 9.3245 9.3245 9.3674 9.3674 9.6715 9.6715 9.6975 9.6975 9.8341 9.8341 10.0541 10.0541 11.2022 11.2022 11.3195 11.3195 11.5020 11.5020 11.6255 11.6255 15.2327 15.2327 15.8404 15.8404 16.1349 16.1349 16.2405 16.2405 k = 0.3333-0.1925 0.2722 ( 2562 PWs) bands (ev): -29.7128 -29.7128 -10.7871 -10.7871 -9.3817 -9.3817 -9.3592 -9.3592 -2.1712 -2.1712 -2.1556 -2.1556 -1.3339 -1.3339 -1.3115 -1.3115 -1.3047 -1.3047 5.4647 5.4647 8.0824 8.0824 9.0511 9.0511 9.1617 9.1617 9.3118 9.3118 9.3286 9.3286 9.3723 9.3723 9.6662 9.6662 9.6900 9.6900 9.8333 9.8333 10.0540 10.0540 11.1206 11.1206 11.3050 11.3050 11.4955 11.4955 11.6246 11.6246 15.2351 15.2351 15.7556 15.7556 16.0684 16.0684 16.1675 16.1675 k = 0.3438-0.1985 0.2807 ( 2566 PWs) bands (ev): -29.7127 -29.7127 -10.7878 -10.7878 -9.3827 -9.3827 -9.3597 -9.3597 -2.1711 -2.1711 -2.1556 -2.1556 -1.3341 -1.3341 -1.3118 -1.3118 -1.3038 -1.3038 5.5411 5.5411 8.0516 8.0516 9.0249 9.0249 9.1670 9.1670 9.3199 9.3199 9.3344 9.3344 9.3760 9.3760 9.6602 9.6602 9.6819 9.6819 9.8326 9.8326 10.0539 10.0539 11.0417 11.0417 11.2916 11.2916 11.4909 11.4909 11.6254 11.6254 15.2375 15.2375 15.6710 15.6710 16.0019 16.0019 16.0950 16.0950 k = 0.3542-0.2045 0.2892 ( 2554 PWs) bands (ev): -29.7126 -29.7126 -10.7883 -10.7883 -9.3837 -9.3837 -9.3602 -9.3602 -2.1710 -2.1710 -2.1555 -2.1555 -1.3342 -1.3342 -1.3120 -1.3120 -1.3030 -1.3030 5.6163 5.6163 8.0229 8.0229 8.9991 8.9991 9.1722 9.1722 9.3280 9.3280 9.3414 9.3414 9.3791 9.3791 9.6538 9.6538 9.6734 9.6734 9.8320 9.8320 10.0541 10.0541 10.9659 10.9659 11.2794 11.2794 11.4881 11.4881 11.6278 11.6278 15.2398 15.2398 15.5884 15.5884 15.9362 15.9362 16.0240 16.0240 k = 0.3646-0.2105 0.2977 ( 2554 PWs) bands (ev): -29.7126 -29.7126 -10.7889 -10.7889 -9.3847 -9.3847 -9.3607 -9.3607 -2.1710 -2.1710 -2.1556 -2.1556 -1.3343 -1.3343 -1.3123 -1.3123 -1.3022 -1.3022 5.6898 5.6898 7.9962 7.9962 8.9741 8.9741 9.1771 9.1771 9.3359 9.3359 9.3492 9.3492 9.3810 9.3810 9.6467 9.6467 9.6645 9.6645 9.8316 9.8316 10.0542 10.0542 10.8933 10.8933 11.2681 11.2681 11.4867 11.4867 11.6315 11.6315 15.2420 15.2420 15.5090 15.5090 15.8722 15.8722 15.9552 15.9552 k = 0.3750-0.2165 0.3062 ( 2546 PWs) bands (ev): -29.7125 -29.7125 -10.7894 -10.7894 -9.3855 -9.3855 -9.3612 -9.3612 -2.1708 -2.1708 -2.1556 -2.1556 -1.3344 -1.3344 -1.3126 -1.3126 -1.3015 -1.3015 5.7612 5.7612 7.9716 7.9716 8.9502 8.9502 9.1818 9.1818 9.3436 9.3436 9.3575 9.3575 9.3818 9.3818 9.6391 9.6391 9.6553 9.6553 9.8315 9.8315 10.0543 10.0543 10.8243 10.8243 11.2579 11.2579 11.4867 11.4867 11.6364 11.6364 15.2440 15.2440 15.4337 15.4337 15.8106 15.8106 15.8890 15.8890 k = 0.3854-0.2225 0.3147 ( 2546 PWs) bands (ev): -29.7124 -29.7124 -10.7899 -10.7899 -9.3864 -9.3864 -9.3616 -9.3616 -2.1708 -2.1708 -2.1557 -2.1557 -1.3345 -1.3345 -1.3130 -1.3130 -1.3008 -1.3008 5.8299 5.8299 7.9493 7.9493 8.9276 8.9276 9.1862 9.1862 9.3510 9.3510 9.3663 9.3663 9.3818 9.3818 9.6309 9.6309 9.6456 9.6456 9.8313 9.8313 10.0545 10.0545 10.7592 10.7592 11.2486 11.2486 11.4878 11.4878 11.6421 11.6421 15.2459 15.2459 15.3632 15.3632 15.7519 15.7519 15.8262 15.8262 k = 0.3958-0.2285 0.3232 ( 2546 PWs) bands (ev): -29.7124 -29.7124 -10.7903 -10.7903 -9.3871 -9.3871 -9.3620 -9.3620 -2.1708 -2.1708 -2.1558 -2.1558 -1.3347 -1.3347 -1.3134 -1.3134 -1.3002 -1.3002 5.8954 5.8954 7.9294 7.9294 8.9066 8.9066 9.1903 9.1903 9.3577 9.3577 9.3753 9.3753 9.3813 9.3813 9.6223 9.6223 9.6358 9.6358 9.8311 9.8311 10.0548 10.0548 10.6983 10.6983 11.2403 11.2403 11.4897 11.4897 11.6484 11.6484 15.2477 15.2477 15.2980 15.2980 15.6967 15.6967 15.7673 15.7673 k = 0.4062-0.2345 0.3317 ( 2538 PWs) bands (ev): -29.7123 -29.7123 -10.7907 -10.7907 -9.3877 -9.3877 -9.3624 -9.3624 -2.1707 -2.1707 -2.1559 -2.1559 -1.3347 -1.3347 -1.3137 -1.3137 -1.2996 -1.2996 5.9570 5.9570 7.9119 7.9119 8.8872 8.8872 9.1942 9.1942 9.3628 9.3628 9.3811 9.3811 9.3844 9.3844 9.6133 9.6133 9.6259 9.6259 9.8311 9.8311 10.0552 10.0552 10.6421 10.6421 11.2328 11.2328 11.4923 11.4923 11.6551 11.6551 15.2383 15.2383 15.2492 15.2492 15.6455 15.6455 15.7126 15.7126 k = 0.4167-0.2406 0.3402 ( 2526 PWs) bands (ev): -29.7123 -29.7123 -10.7910 -10.7910 -9.3883 -9.3883 -9.3627 -9.3627 -2.1705 -2.1705 -2.1560 -2.1560 -1.3348 -1.3348 -1.3140 -1.3140 -1.2990 -1.2990 6.0142 6.0142 7.8968 7.8968 8.8697 8.8697 9.1976 9.1976 9.3646 9.3646 9.3832 9.3832 9.3936 9.3936 9.6042 9.6042 9.6160 9.6160 9.8311 9.8311 10.0560 10.0560 10.5910 10.5910 11.2262 11.2262 11.4953 11.4953 11.6620 11.6620 15.1845 15.1845 15.2507 15.2507 15.5985 15.5985 15.6625 15.6625 k = 0.4271-0.2466 0.3487 ( 2530 PWs) bands (ev): -29.7122 -29.7122 -10.7914 -10.7914 -9.3889 -9.3889 -9.3630 -9.3630 -2.1705 -2.1705 -2.1562 -2.1562 -1.3348 -1.3348 -1.3144 -1.3144 -1.2986 -1.2986 6.0663 6.0663 7.8839 7.8839 8.8541 8.8541 9.2007 9.2007 9.3627 9.3627 9.3878 9.3878 9.4027 9.4027 9.5949 9.5949 9.6061 9.6061 9.8312 9.8312 10.0565 10.0565 10.5451 10.5451 11.2204 11.2204 11.4986 11.4986 11.6687 11.6687 15.1367 15.1367 15.2519 15.2519 15.5563 15.5563 15.6176 15.6176 k = 0.4375-0.2526 0.3572 ( 2542 PWs) bands (ev): -29.7122 -29.7122 -10.7917 -10.7917 -9.3893 -9.3893 -9.3633 -9.3633 -2.1706 -2.1706 -2.1564 -2.1564 -1.3350 -1.3350 -1.3148 -1.3148 -1.2982 -1.2982 6.1129 6.1129 7.8734 7.8734 8.8402 8.8402 9.2033 9.2033 9.3589 9.3589 9.3934 9.3934 9.4114 9.4114 9.5859 9.5859 9.5966 9.5966 9.8310 9.8310 10.0571 10.0571 10.5050 10.5050 11.2154 11.2154 11.5019 11.5019 11.6751 11.6751 15.0951 15.0951 15.2528 15.2528 15.5190 15.5190 15.5779 15.5779 k = 0.4479-0.2586 0.3657 ( 2542 PWs) bands (ev): -29.7121 -29.7121 -10.7919 -10.7919 -9.3897 -9.3897 -9.3635 -9.3635 -2.1706 -2.1706 -2.1565 -2.1565 -1.3351 -1.3351 -1.3151 -1.3151 -1.2979 -1.2979 6.1533 6.1533 7.8649 7.8649 8.8285 8.8285 9.2056 9.2056 9.3543 9.3543 9.3991 9.3991 9.4198 9.4198 9.5773 9.5773 9.5875 9.5875 9.8311 9.8311 10.0577 10.0577 10.4707 10.4707 11.2112 11.2112 11.5050 11.5050 11.6809 11.6809 15.0597 15.0597 15.2536 15.2536 15.4870 15.4870 15.5440 15.5440 k = 0.4583-0.2646 0.3742 ( 2542 PWs) bands (ev): -29.7121 -29.7121 -10.7921 -10.7921 -9.3900 -9.3900 -9.3637 -9.3637 -2.1705 -2.1705 -2.1566 -2.1566 -1.3351 -1.3351 -1.3153 -1.3153 -1.2977 -1.2977 6.1871 6.1871 7.8584 7.8584 8.8188 8.8188 9.2075 9.2075 9.3495 9.3495 9.4044 9.4044 9.4275 9.4275 9.5697 9.5697 9.5792 9.5792 9.8312 9.8312 10.0582 10.0582 10.4424 10.4424 11.2078 11.2078 11.5079 11.5079 11.6859 11.6859 15.0307 15.0307 15.2542 15.2542 15.4605 15.4605 15.5159 15.5159 k = 0.4688-0.2706 0.3827 ( 2542 PWs) bands (ev): -29.7121 -29.7121 -10.7922 -10.7922 -9.3903 -9.3903 -9.3639 -9.3639 -2.1705 -2.1705 -2.1567 -2.1567 -1.3352 -1.3352 -1.3155 -1.3155 -1.2974 -1.2974 6.2139 6.2139 7.8536 7.8536 8.8113 8.8113 9.2090 9.2090 9.3453 9.3453 9.4090 9.4090 9.4343 9.4343 9.5631 9.5631 9.5720 9.5720 9.8312 9.8312 10.0588 10.0588 10.4203 10.4203 11.2052 11.2052 11.5102 11.5102 11.6900 11.6900 15.0082 15.0082 15.2545 15.2545 15.4397 15.4397 15.4939 15.4939 k = 0.4792-0.2766 0.3912 ( 2534 PWs) bands (ev): -29.7121 -29.7121 -10.7923 -10.7923 -9.3904 -9.3904 -9.3640 -9.3640 -2.1705 -2.1705 -2.1568 -2.1568 -1.3352 -1.3352 -1.3156 -1.3156 -1.2972 -1.2972 6.2332 6.2332 7.8504 7.8504 8.8059 8.8059 9.2101 9.2101 9.3419 9.3419 9.4125 9.4125 9.4397 9.4397 9.5582 9.5582 9.5664 9.5664 9.8313 9.8313 10.0593 10.0593 10.4045 10.4045 11.2033 11.2033 11.5120 11.5120 11.6931 11.6931 14.9920 14.9920 15.2548 15.2548 15.4248 15.4248 15.4781 15.4781 k = 0.4896-0.2827 0.3997 ( 2526 PWs) bands (ev): -29.7121 -29.7121 -10.7924 -10.7924 -9.3905 -9.3905 -9.3640 -9.3640 -2.1704 -2.1704 -2.1567 -2.1567 -1.3351 -1.3351 -1.3157 -1.3157 -1.2971 -1.2971 6.2449 6.2449 7.8485 7.8485 8.8027 8.8027 9.2107 9.2107 9.3397 9.3397 9.4148 9.4148 9.4433 9.4433 9.5552 9.5552 9.5627 9.5627 9.8313 9.8313 10.0596 10.0596 10.3950 10.3950 11.2022 11.2022 11.5130 11.5130 11.6949 11.6949 14.9823 14.9823 15.2549 15.2549 15.4158 15.4158 15.4687 15.4687 k = 0.5000-0.2887 0.4082 ( 2538 PWs) bands (ev): -29.7121 -29.7121 -10.7924 -10.7924 -9.3906 -9.3906 -9.3640 -9.3640 -2.1705 -2.1705 -2.1568 -2.1568 -1.3352 -1.3352 -1.3158 -1.3158 -1.2972 -1.2972 6.2489 6.2489 7.8479 7.8479 8.8016 8.8016 9.2109 9.2109 9.3390 9.3390 9.4153 9.4153 9.4445 9.4445 9.5542 9.5542 9.5612 9.5612 9.8312 9.8312 10.0597 10.0597 10.3918 10.3918 11.2018 11.2018 11.5134 11.5134 11.6955 11.6955 14.9791 14.9791 15.2550 15.2550 15.4127 15.4127 15.4655 15.4655 k = 0.5000-0.2887 0.4082 ( 2538 PWs) bands (ev): -29.7121 -29.7121 -10.7924 -10.7924 -9.3906 -9.3906 -9.3640 -9.3640 -2.1705 -2.1705 -2.1568 -2.1568 -1.3352 -1.3352 -1.3158 -1.3158 -1.2972 -1.2972 6.2489 6.2489 7.8479 7.8479 8.8016 8.8016 9.2109 9.2109 9.3390 9.3390 9.4153 9.4153 9.4445 9.4445 9.5542 9.5542 9.5612 9.5612 9.8312 9.8312 10.0597 10.0597 10.3918 10.3918 11.2018 11.2018 11.5134 11.5134 11.6955 11.6955 14.9791 14.9791 15.2550 15.2550 15.4127 15.4127 15.4655 15.4655 k = 0.5000-0.2766 0.4168 ( 2528 PWs) bands (ev): -29.7121 -29.7121 -10.7924 -10.7924 -9.3905 -9.3905 -9.3641 -9.3641 -2.1704 -2.1704 -2.1568 -2.1568 -1.3351 -1.3351 -1.3157 -1.3157 -1.2971 -1.2971 6.2496 6.2496 7.8487 7.8487 8.8003 8.8003 9.2110 9.2110 9.3382 9.3382 9.4156 9.4156 9.4454 9.4454 9.5524 9.5524 9.5640 9.5640 9.8312 9.8312 10.0586 10.0586 10.3920 10.3920 11.1834 11.1834 11.5223 11.5223 11.7019 11.7019 14.9856 14.9856 15.2577 15.2577 15.4118 15.4118 15.4646 15.4646 k = 0.5000-0.2646 0.4253 ( 2532 PWs) bands (ev): -29.7121 -29.7121 -10.7924 -10.7924 -9.3905 -9.3905 -9.3642 -9.3642 -2.1703 -2.1703 -2.1568 -2.1568 -1.3349 -1.3349 -1.3157 -1.3157 -1.2972 -1.2972 6.2518 6.2518 7.8512 7.8512 8.7965 8.7965 9.2113 9.2113 9.3361 9.3361 9.4161 9.4161 9.4482 9.4482 9.5496 9.5496 9.5692 9.5692 9.8308 9.8308 10.0549 10.0549 10.3922 10.3922 11.1378 11.1378 11.5319 11.5319 11.7287 11.7287 15.0041 15.0041 15.2664 15.2664 15.4087 15.4087 15.4623 15.4623 k = 0.5000-0.2526 0.4338 ( 2532 PWs) bands (ev): -29.7121 -29.7121 -10.7925 -10.7925 -9.3904 -9.3904 -9.3643 -9.3643 -2.1701 -2.1701 -2.1568 -2.1568 -1.3347 -1.3347 -1.3156 -1.3156 -1.2972 -1.2972 6.2555 6.2555 7.8554 7.8554 8.7901 8.7901 9.2117 9.2117 9.3329 9.3329 9.4165 9.4165 9.4529 9.4529 9.5473 9.5473 9.5756 9.5756 9.8299 9.8299 10.0492 10.0492 10.3926 10.3926 11.0796 11.0796 11.5205 11.5205 11.7839 11.7839 15.0319 15.0319 15.2829 15.2829 15.4025 15.4025 15.4595 15.4595 k = 0.5000-0.2406 0.4423 ( 2536 PWs) bands (ev): -29.7121 -29.7121 -10.7925 -10.7925 -9.3903 -9.3903 -9.3645 -9.3645 -2.1699 -2.1699 -2.1568 -2.1568 -1.3343 -1.3343 -1.3156 -1.3156 -1.2974 -1.2974 6.2606 6.2606 7.8611 7.8611 8.7813 8.7813 9.2122 9.2122 9.3289 9.3289 9.4167 9.4167 9.4594 9.4594 9.5457 9.5457 9.5829 9.5829 9.8287 9.8287 10.0410 10.0410 10.3931 10.3931 11.0175 11.0175 11.4872 11.4872 11.8609 11.8609 15.0642 15.0642 15.3105 15.3105 15.3923 15.3923 15.4575 15.4575 k = 0.5000-0.2285 0.4508 ( 2536 PWs) bands (ev): -29.7121 -29.7121 -10.7925 -10.7925 -9.3902 -9.3902 -9.3648 -9.3648 -2.1695 -2.1695 -2.1568 -2.1568 -1.3338 -1.3338 -1.3155 -1.3155 -1.2975 -1.2975 6.2670 6.2670 7.8685 7.8685 8.7701 8.7701 9.2129 9.2129 9.3246 9.3246 9.4168 9.4168 9.4672 9.4672 9.5448 9.5448 9.5909 9.5909 9.8271 9.8271 10.0304 10.0304 10.3937 10.3937 10.9556 10.9556 11.4384 11.4384 11.9506 11.9506 15.0952 15.0952 15.3516 15.3516 15.3777 15.3777 15.4578 15.4578 k = 0.5000-0.2165 0.4593 ( 2540 PWs) bands (ev): -29.7121 -29.7121 -10.7926 -10.7926 -9.3900 -9.3900 -9.3652 -9.3652 -2.1692 -2.1692 -2.1568 -2.1568 -1.3333 -1.3333 -1.3154 -1.3154 -1.2976 -1.2976 6.2747 6.2747 7.8775 7.8775 8.7566 8.7566 9.2137 9.2137 9.3201 9.3201 9.4169 9.4169 9.4762 9.4762 9.5445 9.5445 9.5998 9.5998 9.8252 9.8252 10.0171 10.0171 10.3944 10.3944 10.8961 10.8961 11.3785 11.3785 12.0481 12.0481 15.1208 15.1208 15.3554 15.3554 15.4066 15.4066 15.4654 15.4654 k = 0.5000-0.2045 0.4678 ( 2538 PWs) bands (ev): -29.7121 -29.7121 -10.7926 -10.7926 -9.3898 -9.3898 -9.3656 -9.3656 -2.1687 -2.1687 -2.1568 -2.1568 -1.3327 -1.3327 -1.3152 -1.3152 -1.2978 -1.2978 6.2835 6.2835 7.8882 7.8882 8.7410 8.7410 9.2146 9.2146 9.3156 9.3156 9.4169 9.4169 9.4859 9.4859 9.5449 9.5449 9.6095 9.6095 9.8231 9.8231 10.0015 10.0015 10.3952 10.3952 10.8402 10.8402 11.3105 11.3105 12.1509 12.1509 15.1402 15.1402 15.3300 15.3300 15.4399 15.4399 15.5099 15.5099 k = 0.5000-0.1925 0.4763 ( 2542 PWs) bands (ev): -29.7121 -29.7121 -10.7927 -10.7927 -9.3895 -9.3895 -9.3660 -9.3660 -2.1683 -2.1683 -2.1569 -2.1569 -1.3320 -1.3320 -1.3151 -1.3151 -1.2980 -1.2980 6.2933 6.2933 7.9004 7.9004 8.7233 8.7233 9.2156 9.2156 9.3113 9.3113 9.4170 9.4170 9.4962 9.4962 9.5457 9.5457 9.6200 9.6200 9.8207 9.8207 9.9833 9.9833 10.3962 10.3962 10.7886 10.7886 11.2365 11.2365 12.2575 12.2575 15.1544 15.1544 15.2995 15.2995 15.4475 15.4475 15.5937 15.5937 k = 0.5000-0.1804 0.4848 ( 2550 PWs) bands (ev): -29.7121 -29.7121 -10.7927 -10.7927 -9.3893 -9.3893 -9.3665 -9.3665 -2.1678 -2.1678 -2.1569 -2.1569 -1.3313 -1.3313 -1.3149 -1.3149 -1.2983 -1.2983 6.3041 6.3041 7.9141 7.9141 8.7037 8.7037 9.2167 9.2167 9.3073 9.3073 9.4171 9.4171 9.5068 9.5068 9.5469 9.5469 9.6314 9.6314 9.8180 9.8180 9.9625 9.9625 10.3971 10.3971 10.7415 10.7415 11.1583 11.1583 12.3672 12.3672 15.1644 15.1644 15.2647 15.2647 15.4512 15.4512 15.6910 15.6910 k = 0.5000-0.1684 0.4933 ( 2550 PWs) bands (ev): -29.7121 -29.7121 -10.7928 -10.7928 -9.3890 -9.3890 -9.3670 -9.3670 -2.1672 -2.1672 -2.1569 -2.1569 -1.3305 -1.3305 -1.3147 -1.3147 -1.2986 -1.2986 6.3156 6.3156 7.9294 7.9294 8.6823 8.6823 9.2180 9.2180 9.3038 9.3038 9.4173 9.4173 9.5176 9.5176 9.5486 9.5486 9.6439 9.6439 9.8152 9.8152 9.9397 9.9397 10.3982 10.3982 10.6991 10.6991 11.0775 11.0775 12.4794 12.4794 15.1688 15.1688 15.2284 15.2284 15.4541 15.4541 15.7946 15.7946 k = 0.5000-0.1564 0.5018 ( 2558 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3886 -9.3886 -9.3676 -9.3676 -2.1666 -2.1666 -2.1570 -2.1570 -1.3298 -1.3298 -1.3145 -1.3145 -1.2989 -1.2989 6.3276 6.3276 7.9461 7.9461 8.6593 8.6593 9.2193 9.2193 9.3009 9.3009 9.4175 9.4175 9.5282 9.5282 9.5505 9.5505 9.6576 9.6576 9.8124 9.8124 9.9150 9.9150 10.3992 10.3992 10.6613 10.6613 10.9952 10.9952 12.5936 12.5936 15.1542 15.1542 15.2047 15.2047 15.4570 15.4570 15.9007 15.9007 k = 0.5000-0.1443 0.5103 ( 2560 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3883 -9.3883 -9.3682 -9.3682 -2.1660 -2.1660 -2.1571 -2.1571 -1.3290 -1.3290 -1.3141 -1.3141 -1.2992 -1.2992 6.3400 6.3400 7.9644 7.9644 8.6347 8.6347 9.2206 9.2206 9.2989 9.2989 9.4176 9.4176 9.5384 9.5384 9.5528 9.5528 9.6727 9.6727 9.8094 9.8094 9.8889 9.8889 10.4001 10.4001 10.6277 10.6277 10.9129 10.9129 12.7094 12.7094 15.1112 15.1112 15.2031 15.2031 15.4598 15.4598 16.0063 16.0063 k = 0.5000-0.1323 0.5188 ( 2556 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3879 -9.3879 -9.3688 -9.3688 -2.1653 -2.1653 -2.1571 -2.1571 -1.3281 -1.3281 -1.3137 -1.3137 -1.2996 -1.2996 6.3526 6.3526 7.9840 7.9840 8.6089 8.6089 9.2217 9.2217 9.2979 9.2979 9.4176 9.4176 9.5478 9.5478 9.5556 9.5556 9.6894 9.6894 9.8066 9.8066 9.8621 9.8621 10.4008 10.4008 10.5978 10.5978 10.8318 10.8318 12.8265 12.8265 15.0563 15.0563 15.2076 15.2076 15.4627 15.4627 16.1085 16.1085 k = 0.5000-0.1203 0.5273 ( 2552 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3875 -9.3875 -9.3694 -9.3694 -2.1647 -2.1647 -2.1572 -2.1572 -1.3274 -1.3274 -1.3133 -1.3133 -1.2999 -1.2999 6.3651 6.3651 8.0050 8.0050 8.5818 8.5818 9.2225 9.2225 9.2982 9.2982 9.4173 9.4173 9.5552 9.5552 9.5599 9.5599 9.7077 9.7077 9.8037 9.8037 9.8352 9.8352 10.4011 10.4011 10.5707 10.5707 10.7533 10.7533 12.9446 12.9446 14.9947 14.9947 15.2132 15.2132 15.4654 15.4654 16.2048 16.2048 k = 0.5000-0.1083 0.5358 ( 2552 PWs) bands (ev): -29.7121 -29.7121 -10.7931 -10.7931 -9.3871 -9.3871 -9.3701 -9.3701 -2.1640 -2.1640 -2.1573 -2.1573 -1.3267 -1.3267 -1.3128 -1.3128 -1.3004 -1.3004 6.3773 6.3773 8.0273 8.0273 8.5536 8.5536 9.2230 9.2230 9.2998 9.2998 9.4166 9.4166 9.5591 9.5591 9.5668 9.5668 9.7277 9.7277 9.7994 9.7994 9.8105 9.8105 10.4005 10.4005 10.5449 10.5449 10.6797 10.6797 13.0633 13.0633 14.9272 14.9272 15.2187 15.2187 15.4682 15.4682 16.2927 16.2927 k = 0.5000-0.0962 0.5443 ( 2552 PWs) bands (ev): -29.7121 -29.7121 -10.7932 -10.7932 -9.3867 -9.3867 -9.3707 -9.3707 -2.1634 -2.1634 -2.1573 -2.1573 -1.3260 -1.3260 -1.3122 -1.3122 -1.3008 -1.3008 6.3891 6.3891 8.0508 8.0508 8.5246 8.5246 9.2230 9.2230 9.3029 9.3029 9.4154 9.4154 9.5621 9.5621 9.5737 9.5737 9.7485 9.7485 9.7800 9.7800 9.8031 9.8031 10.3977 10.3977 10.5171 10.5171 10.6157 10.6157 13.1822 13.1822 14.8544 14.8544 15.2240 15.2240 15.4707 15.4707 16.3705 16.3705 k = 0.5000-0.0842 0.5528 ( 2552 PWs) bands (ev): -29.7121 -29.7121 -10.7932 -10.7932 -9.3862 -9.3862 -9.3713 -9.3713 -2.1628 -2.1628 -2.1575 -2.1575 -1.3255 -1.3255 -1.3116 -1.3116 -1.3013 -1.3013 6.4001 6.4001 8.0755 8.0755 8.4947 8.4947 9.2227 9.2227 9.3076 9.3076 9.4133 9.4133 9.5649 9.5649 9.5798 9.5798 9.7556 9.7556 9.7680 9.7680 9.8064 9.8064 10.3890 10.3890 10.4839 10.4839 10.5685 10.5685 13.3012 13.3012 14.7765 14.7765 15.2289 15.2289 15.4731 15.4731 16.4371 16.4371 k = 0.5000-0.0722 0.5613 ( 2552 PWs) bands (ev): -29.7120 -29.7120 -10.7933 -10.7933 -9.3858 -9.3858 -9.3719 -9.3719 -2.1622 -2.1622 -2.1576 -2.1576 -1.3250 -1.3250 -1.3110 -1.3110 -1.3019 -1.3019 6.4102 6.4102 8.1014 8.1014 8.4643 8.4643 9.2221 9.2221 9.3137 9.3137 9.4104 9.4104 9.5676 9.5676 9.5848 9.5848 9.7333 9.7333 9.7787 9.7787 9.8213 9.8213 10.3643 10.3643 10.4537 10.4537 10.5397 10.5397 13.4199 13.4199 14.6936 14.6936 15.2334 15.2334 15.4753 15.4753 16.4923 16.4923 k = 0.5000-0.0601 0.5698 ( 2556 PWs) bands (ev): -29.7120 -29.7120 -10.7933 -10.7933 -9.3854 -9.3854 -9.3725 -9.3725 -2.1617 -2.1617 -2.1578 -2.1578 -1.3246 -1.3246 -1.3103 -1.3103 -1.3025 -1.3025 6.4191 6.4191 8.1281 8.1281 8.4334 8.4334 9.2212 9.2212 9.3210 9.3210 9.4064 9.4064 9.5703 9.5703 9.5885 9.5885 9.7135 9.7135 9.7812 9.7812 9.8475 9.8475 10.3186 10.3186 10.4389 10.4389 10.5220 10.5220 13.5379 13.5379 14.6060 14.6060 15.2373 15.2373 15.4772 15.4772 16.5364 16.5364 k = 0.5000-0.0481 0.5784 ( 2552 PWs) bands (ev): -29.7120 -29.7120 -10.7933 -10.7933 -9.3851 -9.3851 -9.3730 -9.3730 -2.1612 -2.1612 -2.1580 -2.1580 -1.3242 -1.3242 -1.3095 -1.3095 -1.3031 -1.3031 6.4267 6.4267 8.1558 8.1558 8.4024 8.4024 9.2204 9.2204 9.3294 9.3294 9.4012 9.4012 9.5731 9.5731 9.5910 9.5910 9.6968 9.6968 9.7813 9.7813 9.8797 9.8797 10.2631 10.2631 10.4339 10.4339 10.5100 10.5100 13.6549 13.6549 14.5140 14.5140 15.2406 15.2406 15.4788 15.4788 16.5702 16.5702 k = 0.5000-0.0361 0.5869 ( 2550 PWs) bands (ev): -29.7120 -29.7120 -10.7934 -10.7934 -9.3847 -9.3847 -9.3734 -9.3734 -2.1607 -2.1607 -2.1582 -2.1582 -1.3239 -1.3239 -1.3088 -1.3088 -1.3037 -1.3037 6.4328 6.4328 8.1842 8.1842 8.3713 8.3713 9.2196 9.2196 9.3385 9.3385 9.3948 9.3948 9.5758 9.5758 9.5921 9.5921 9.6836 9.6836 9.7806 9.7806 9.9158 9.9158 10.2060 10.2060 10.4323 10.4323 10.5015 10.5015 13.7704 13.7704 14.4179 14.4179 15.2432 15.2432 15.4801 15.4801 16.5950 16.5950 k = 0.5000-0.0241 0.5954 ( 2554 PWs) bands (ev): -29.7120 -29.7120 -10.7934 -10.7934 -9.3845 -9.3845 -9.3737 -9.3737 -2.1603 -2.1603 -2.1585 -2.1585 -1.3237 -1.3237 -1.3081 -1.3081 -1.3044 -1.3044 6.4373 6.4373 8.2130 8.2130 8.3405 8.3405 9.2189 9.2189 9.3481 9.3481 9.3873 9.3873 9.5785 9.5785 9.5919 9.5919 9.6742 9.6742 9.7799 9.7799 9.9555 9.9555 10.1506 10.1506 10.4319 10.4319 10.4956 10.4956 13.8842 13.8842 14.3182 14.3182 15.2451 15.2451 15.4810 15.4810 16.6119 16.6119 k = 0.5000-0.0120 0.6039 ( 2554 PWs) bands (ev): -29.7120 -29.7120 -10.7934 -10.7934 -9.3843 -9.3843 -9.3739 -9.3739 -2.1599 -2.1599 -2.1587 -2.1587 -1.3236 -1.3236 -1.3075 -1.3075 -1.3049 -1.3049 6.4400 6.4400 8.2412 8.2412 8.3111 8.3111 9.2185 9.2185 9.3576 9.3576 9.3791 9.3791 9.5806 9.5806 9.5911 9.5911 9.6686 9.6686 9.7794 9.7794 9.9980 9.9980 10.0982 10.0982 10.4319 10.4319 10.4922 10.4922 13.9951 13.9951 14.2155 14.2155 15.2463 15.2463 15.4816 15.4816 16.6216 16.6216 k = 0.5000-0.0000 0.6124 ( 2580 PWs) bands (ev): -29.7121 -29.7121 -10.7934 -10.7934 -9.3843 -9.3843 -9.3740 -9.3740 -2.1599 -2.1599 -2.1590 -2.1590 -1.3238 -1.3238 -1.3074 -1.3074 -1.3053 -1.3053 6.4409 6.4409 8.2595 8.2595 8.2924 8.2924 9.2182 9.2182 9.3638 9.3638 9.3731 9.3731 9.5814 9.5814 9.5905 9.5905 9.6666 9.6666 9.7791 9.7791 10.0337 10.0337 10.0591 10.0591 10.4319 10.4319 10.4910 10.4910 14.0857 14.0857 14.1278 14.1278 15.2466 15.2466 15.4817 15.4817 16.6247 16.6247 k = 0.5000-0.0000 0.6124 ( 2580 PWs) bands (ev): -29.7121 -29.7121 -10.7934 -10.7934 -9.3843 -9.3843 -9.3740 -9.3740 -2.1599 -2.1599 -2.1590 -2.1590 -1.3238 -1.3238 -1.3074 -1.3074 -1.3053 -1.3053 6.4409 6.4409 8.2595 8.2595 8.2924 8.2924 9.2182 9.2182 9.3638 9.3638 9.3731 9.3731 9.5814 9.5814 9.5905 9.5905 9.6666 9.6666 9.7791 9.7791 10.0337 10.0337 10.0591 10.0591 10.4319 10.4319 10.4910 10.4910 14.0857 14.0857 14.1278 14.1278 15.2466 15.2466 15.4817 15.4817 16.6247 16.6247 k = 0.4926 0.0127 0.6124 ( 2551 PWs) bands (ev): -29.7120 -29.7120 -10.7934 -10.7934 -9.3843 -9.3843 -9.3739 -9.3739 -2.1598 -2.1598 -2.1588 -2.1588 -1.3236 -1.3236 -1.3074 -1.3074 -1.3050 -1.3050 6.4400 6.4400 8.2492 8.2492 8.3027 8.3027 9.2183 9.2183 9.3601 9.3601 9.3769 9.3769 9.5802 9.5802 9.5913 9.5913 9.6666 9.6666 9.7791 9.7791 10.0093 10.0093 10.0800 10.0800 10.4355 10.4355 10.4974 10.4974 14.0251 14.0251 14.1854 14.1854 15.2492 15.2492 15.4822 15.4822 16.6231 16.6231 k = 0.4853 0.0255 0.6124 ( 2547 PWs) bands (ev): -29.7120 -29.7120 -10.7934 -10.7934 -9.3844 -9.3844 -9.3738 -9.3738 -2.1599 -2.1599 -2.1586 -2.1586 -1.3236 -1.3236 -1.3077 -1.3077 -1.3046 -1.3046 6.4376 6.4376 8.2320 8.2320 8.3197 8.3197 9.2181 9.2181 9.3535 9.3535 9.3829 9.3829 9.5765 9.5765 9.5930 9.5930 9.6661 9.6661 9.7788 9.7788 9.9779 9.9779 10.0990 10.0990 10.4406 10.4406 10.5232 10.5232 13.9430 13.9430 14.2585 14.2585 15.2569 15.2569 15.4832 15.4832 16.6177 16.6177 k = 0.4779 0.0382 0.6124 ( 2547 PWs) bands (ev): -29.7120 -29.7120 -10.7934 -10.7934 -9.3846 -9.3846 -9.3735 -9.3735 -2.1601 -2.1601 -2.1584 -2.1584 -1.3236 -1.3236 -1.3082 -1.3082 -1.3042 -1.3042 6.4340 6.4340 8.2146 8.2146 8.3365 8.3365 9.2178 9.2178 9.3463 9.3463 9.3887 9.3887 9.5713 9.5713 9.5944 9.5944 9.6654 9.6654 9.7781 9.7781 9.9493 9.9493 10.1072 10.1072 10.4419 10.4419 10.5726 10.5726 13.8554 13.8554 14.3311 14.3311 15.2699 15.2699 15.4846 15.4846 16.6082 16.6082 k = 0.4706 0.0509 0.6124 ( 2545 PWs) bands (ev): -29.7121 -29.7121 -10.7933 -10.7933 -9.3848 -9.3848 -9.3732 -9.3732 -2.1603 -2.1603 -2.1582 -2.1582 -1.3235 -1.3235 -1.3087 -1.3087 -1.3037 -1.3037 6.4296 6.4296 8.1982 8.1982 8.3521 8.3521 9.2175 9.2175 9.3390 9.3390 9.3939 9.3939 9.5650 9.5650 9.5946 9.5946 9.6655 9.6655 9.7772 9.7772 9.9248 9.9248 10.1065 10.1065 10.4408 10.4408 10.6412 10.6412 13.7632 13.7632 14.4022 14.4022 15.2880 15.2880 15.4860 15.4860 16.5938 16.5938 k = 0.4632 0.0637 0.6124 ( 2542 PWs) bands (ev): -29.7121 -29.7121 -10.7933 -10.7933 -9.3851 -9.3851 -9.3729 -9.3729 -2.1605 -2.1605 -2.1581 -2.1581 -1.3235 -1.3235 -1.3093 -1.3093 -1.3032 -1.3032 6.4245 6.4245 8.1829 8.1829 8.3663 8.3663 9.2170 9.2170 9.3318 9.3318 9.3982 9.3982 9.5573 9.5573 9.5930 9.5930 9.6673 9.6673 9.7761 9.7761 9.9048 9.9048 10.0998 10.0998 10.4386 10.4386 10.7235 10.7235 13.6669 13.6669 14.4715 14.4715 15.3112 15.3112 15.4871 15.4871 16.5742 16.5742 k = 0.4559 0.0764 0.6124 ( 2543 PWs) bands (ev): -29.7121 -29.7121 -10.7932 -10.7932 -9.3853 -9.3853 -9.3725 -9.3725 -2.1607 -2.1607 -2.1579 -2.1579 -1.3235 -1.3235 -1.3098 -1.3098 -1.3028 -1.3028 6.4190 6.4190 8.1689 8.1689 8.3790 8.3790 9.2165 9.2165 9.3248 9.3248 9.4012 9.4012 9.5479 9.5479 9.5900 9.5900 9.6716 9.6716 9.7749 9.7749 9.8891 9.8891 10.0893 10.0893 10.4361 10.4361 10.8155 10.8155 13.5669 13.5669 14.5386 14.5386 15.3393 15.3393 15.4877 15.4877 16.5488 16.5488 k = 0.4485 0.0891 0.6124 ( 2545 PWs) bands (ev): -29.7121 -29.7121 -10.7932 -10.7932 -9.3856 -9.3856 -9.3720 -9.3720 -2.1609 -2.1609 -2.1578 -2.1578 -1.3234 -1.3234 -1.3104 -1.3104 -1.3024 -1.3024 6.4134 6.4134 8.1561 8.1561 8.3902 8.3902 9.2160 9.2160 9.3181 9.3181 9.4027 9.4027 9.5368 9.5368 9.5863 9.5863 9.6782 9.6782 9.7739 9.7739 9.8773 9.8773 10.0765 10.0765 10.4337 10.4337 10.9145 10.9145 13.4637 13.4637 14.6032 14.6032 15.3720 15.3720 15.4877 15.4877 16.5172 16.5172 k = 0.4412 0.1019 0.6124 ( 2549 PWs) bands (ev): -29.7121 -29.7121 -10.7932 -10.7932 -9.3859 -9.3859 -9.3716 -9.3716 -2.1611 -2.1611 -2.1578 -2.1578 -1.3234 -1.3234 -1.3110 -1.3110 -1.3020 -1.3020 6.4078 6.4078 8.1447 8.1447 8.4000 8.4000 9.2154 9.2154 9.3119 9.3119 9.4025 9.4025 9.5248 9.5248 9.5827 9.5827 9.6866 9.6866 9.7733 9.7733 9.8684 9.8684 10.0623 10.0623 10.4313 10.4313 11.0187 11.0187 13.3578 13.3578 14.6649 14.6649 15.4088 15.4088 15.4871 15.4871 16.4792 16.4792 k = 0.4338 0.1146 0.6124 ( 2551 PWs) bands (ev): -29.7121 -29.7121 -10.7931 -10.7931 -9.3862 -9.3862 -9.3712 -9.3712 -2.1613 -2.1613 -2.1577 -2.1577 -1.3233 -1.3233 -1.3115 -1.3115 -1.3017 -1.3017 6.4024 6.4024 8.1345 8.1345 8.4084 8.4084 9.2149 9.2149 9.3064 9.3064 9.4003 9.4003 9.5130 9.5130 9.5796 9.5796 9.6962 9.6962 9.7733 9.7733 9.8619 9.8619 10.0474 10.0474 10.4292 10.4292 11.1265 11.1265 13.2498 13.2498 14.7232 14.7232 15.4475 15.4475 15.4879 15.4879 16.4349 16.4349 k = 0.4265 0.1274 0.6124 ( 2553 PWs) bands (ev): -29.7121 -29.7121 -10.7931 -10.7931 -9.3864 -9.3864 -9.3709 -9.3709 -2.1614 -2.1614 -2.1576 -2.1576 -1.3233 -1.3233 -1.3120 -1.3120 -1.3013 -1.3013 6.3973 6.3973 8.1256 8.1256 8.4157 8.4157 9.2143 9.2143 9.3014 9.3014 9.3959 9.3959 9.5025 9.5025 9.5770 9.5770 9.7062 9.7062 9.7742 9.7742 9.8570 9.8570 10.0323 10.0323 10.4272 10.4272 11.2366 11.2366 13.1405 13.1405 14.7778 14.7778 15.4703 15.4703 15.5078 15.5078 16.3845 16.3845 k = 0.4191 0.1401 0.6124 ( 2557 PWs) bands (ev): -29.7121 -29.7121 -10.7931 -10.7931 -9.3867 -9.3867 -9.3705 -9.3705 -2.1616 -2.1616 -2.1575 -2.1575 -1.3232 -1.3232 -1.3125 -1.3125 -1.3011 -1.3011 6.3927 6.3927 8.1179 8.1179 8.4218 8.4218 9.2139 9.2139 9.2973 9.2973 9.3898 9.3898 9.4941 9.4941 9.5749 9.5749 9.7158 9.7158 9.7764 9.7764 9.8531 9.8531 10.0174 10.0174 10.4255 10.4255 11.3474 11.3474 13.0310 13.0310 14.8279 14.8279 15.4698 15.4698 15.5537 15.5537 16.3287 16.3287 k = 0.4118 0.1528 0.6124 ( 2557 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3869 -9.3869 -9.3702 -9.3702 -2.1617 -2.1617 -2.1575 -2.1575 -1.3231 -1.3231 -1.3129 -1.3129 -1.3008 -1.3008 6.3886 6.3886 8.1114 8.1114 8.4269 8.4269 9.2135 9.2135 9.2939 9.2939 9.3824 9.3824 9.4879 9.4879 9.5733 9.5733 9.7242 9.7242 9.7804 9.7804 9.8498 9.8498 10.0032 10.0032 10.4241 10.4241 11.4572 11.4572 12.9227 12.9227 14.8728 14.8728 15.4650 15.4650 15.6067 15.6067 16.2684 16.2684 k = 0.4044 0.1656 0.6124 ( 2559 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3870 -9.3870 -9.3700 -9.3700 -2.1618 -2.1618 -2.1574 -2.1574 -1.3231 -1.3231 -1.3132 -1.3132 -1.3006 -1.3006 6.3851 6.3851 8.1061 8.1061 8.4309 8.4309 9.2132 9.2132 9.2913 9.2913 9.3746 9.3746 9.4835 9.4835 9.5721 9.5721 9.7306 9.7306 9.7863 9.7863 9.8468 9.8468 9.9901 9.9901 10.4229 10.4229 11.5635 11.5635 12.8179 12.8179 14.9118 14.9118 15.4591 15.4591 15.6635 15.6635 16.2046 16.2046 k = 0.3971 0.1783 0.6124 ( 2560 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3872 -9.3872 -9.3698 -9.3698 -2.1618 -2.1618 -2.1574 -2.1574 -1.3230 -1.3230 -1.3135 -1.3135 -1.3005 -1.3005 6.3824 6.3824 8.1020 8.1020 8.4340 8.4340 9.2130 9.2130 9.2895 9.2895 9.3675 9.3675 9.4807 9.4807 9.5711 9.5711 9.7351 9.7351 9.7936 9.7936 9.8437 9.8437 9.9786 9.9786 10.4220 10.4220 11.6623 11.6623 12.7204 12.7204 14.9437 14.9437 15.4531 15.4531 15.7233 15.7233 16.1387 16.1387 k = 0.3897 0.1910 0.6124 ( 2566 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3873 -9.3873 -9.3696 -9.3696 -2.1619 -2.1619 -2.1574 -2.1574 -1.3229 -1.3229 -1.3138 -1.3138 -1.3004 -1.3004 6.3804 6.3804 8.0991 8.0991 8.4362 8.4362 9.2128 9.2128 9.2883 9.2883 9.3617 9.3617 9.4789 9.4789 9.5704 9.5704 9.7378 9.7378 9.8012 9.8012 9.8404 9.8404 9.9696 9.9696 10.4213 10.4213 11.7470 11.7470 12.6366 12.6366 14.9676 14.9676 15.4479 15.4479 15.7847 15.7847 16.0725 16.0725 k = 0.3824 0.2038 0.6124 ( 2564 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3873 -9.3873 -9.3695 -9.3695 -2.1619 -2.1619 -2.1574 -2.1574 -1.3229 -1.3229 -1.3139 -1.3139 -1.3003 -1.3003 6.3792 6.3792 8.0974 8.0974 8.4375 8.4375 9.2128 9.2128 9.2876 9.2876 9.3580 9.3580 9.4779 9.4779 9.5701 9.5701 9.7393 9.7393 9.8077 9.8077 9.8372 9.8372 9.9638 9.9638 10.4209 10.4209 11.8072 11.8072 12.5771 12.5771 14.9825 14.9825 15.4443 15.4443 15.8443 15.8443 16.0097 16.0097 k = 0.3750 0.2165 0.6124 ( 2574 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3873 -9.3873 -9.3695 -9.3695 -2.1620 -2.1620 -2.1574 -2.1574 -1.3229 -1.3229 -1.3140 -1.3140 -1.3004 -1.3004 6.3788 6.3788 8.0968 8.0968 8.4379 8.4379 9.2127 9.2127 9.2874 9.2874 9.3567 9.3567 9.4776 9.4776 9.5699 9.5699 9.7397 9.7397 9.8104 9.8104 9.8357 9.8357 9.9618 9.9618 10.4207 10.4207 11.8295 11.8295 12.5550 12.5550 14.9875 14.9875 15.4431 15.4431 15.8800 15.8800 15.9729 15.9729 k = 0.3750 0.2165 0.6124 ( 2574 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3873 -9.3873 -9.3695 -9.3695 -2.1620 -2.1620 -2.1574 -2.1574 -1.3229 -1.3229 -1.3140 -1.3140 -1.3004 -1.3004 6.3788 6.3788 8.0968 8.0968 8.4379 8.4379 9.2127 9.2127 9.2874 9.2874 9.3567 9.3567 9.4776 9.4776 9.5699 9.5699 9.7397 9.7397 9.8104 9.8104 9.8357 9.8357 9.9618 9.9618 10.4207 10.4207 11.8295 11.8295 12.5550 12.5550 14.9875 14.9875 15.4431 15.4431 15.8800 15.8800 15.9729 15.9729 k = 0.3676 0.2123 0.6004 ( 2570 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3872 -9.3872 -9.3697 -9.3697 -2.1612 -2.1612 -2.1575 -2.1575 -1.3219 -1.3219 -1.3138 -1.3138 -1.3006 -1.3006 6.3804 6.3804 8.1281 8.1281 8.3974 8.3974 9.2100 9.2100 9.2808 9.2808 9.3489 9.3489 9.4804 9.4804 9.5695 9.5695 9.7310 9.7310 9.8005 9.8005 9.8200 9.8200 9.9494 9.9494 10.4229 10.4229 11.8550 11.8550 12.6332 12.6332 14.9365 14.9365 15.4525 15.4525 15.9048 15.9048 16.0502 16.0502 k = 0.3603 0.2080 0.5884 ( 2570 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3870 -9.3870 -9.3698 -9.3698 -2.1605 -2.1605 -2.1576 -2.1576 -1.3209 -1.3209 -1.3137 -1.3137 -1.3008 -1.3008 6.3783 6.3783 8.1613 8.1613 8.3574 8.3574 9.2060 9.2060 9.2723 9.2723 9.3436 9.3436 9.4826 9.4826 9.5679 9.5679 9.7179 9.7179 9.7864 9.7864 9.8065 9.8065 9.9521 9.9521 10.4252 10.4252 11.8816 11.8816 12.7152 12.7152 14.8832 14.8832 15.4639 15.4639 15.9208 15.9208 16.1303 16.1303 k = 0.3529 0.2038 0.5764 ( 2566 PWs) bands (ev): -29.7122 -29.7122 -10.7928 -10.7928 -9.3869 -9.3869 -9.3697 -9.3697 -2.1597 -2.1597 -2.1577 -2.1577 -1.3199 -1.3199 -1.3136 -1.3136 -1.3010 -1.3010 6.3717 6.3717 8.1964 8.1964 8.3191 8.3191 9.2004 9.2004 9.2624 9.2624 9.3410 9.3410 9.4838 9.4838 9.5650 9.5650 9.7025 9.7025 9.7736 9.7736 9.7942 9.7942 9.9637 9.9637 10.4276 10.4276 11.9094 11.9094 12.8013 12.8013 14.8279 14.8279 15.4773 15.4773 15.9286 15.9286 16.2131 16.2131 k = 0.3456 0.1995 0.5643 ( 2556 PWs) bands (ev): -29.7122 -29.7122 -10.7927 -10.7927 -9.3867 -9.3867 -9.3696 -9.3696 -2.1590 -2.1590 -2.1578 -2.1578 -1.3190 -1.3190 -1.3134 -1.3134 -1.3012 -1.3012 6.3599 6.3599 8.2327 8.2327 8.2841 8.2841 9.1924 9.1924 9.2525 9.2525 9.3404 9.3404 9.4837 9.4837 9.5614 9.5614 9.6878 9.6878 9.7625 9.7625 9.7836 9.7836 9.9799 9.9799 10.4301 10.4301 11.9385 11.9385 12.8916 12.8916 14.7706 14.7706 15.4929 15.4929 15.9287 15.9287 16.2983 16.2983 k = 0.3382 0.1953 0.5523 ( 2556 PWs) bands (ev): -29.7122 -29.7122 -10.7926 -10.7926 -9.3866 -9.3866 -9.3695 -9.3695 -2.1585 -2.1585 -2.1578 -2.1578 -1.3182 -1.3182 -1.3133 -1.3133 -1.3014 -1.3014 6.3421 6.3421 8.2469 8.2469 8.2771 8.2771 9.1816 9.1816 9.2436 9.2436 9.3416 9.3416 9.4820 9.4820 9.5574 9.5574 9.6755 9.6755 9.7515 9.7515 9.7756 9.7756 9.9986 9.9986 10.4325 10.4325 11.9688 11.9688 12.9862 12.9862 14.7115 14.7115 15.5105 15.5105 15.9220 15.9220 16.3857 16.3857 k = 0.3309 0.1910 0.5403 ( 2556 PWs) bands (ev): -29.7122 -29.7122 -10.7924 -10.7924 -9.3865 -9.3865 -9.3692 -9.3692 -2.1584 -2.1584 -2.1574 -2.1574 -1.3175 -1.3175 -1.3132 -1.3132 -1.3015 -1.3015 6.3180 6.3180 8.2217 8.2217 8.3161 8.3161 9.1680 9.1680 9.2363 9.2363 9.3440 9.3440 9.4789 9.4789 9.5537 9.5537 9.6659 9.6659 9.7402 9.7402 9.7702 9.7702 10.0187 10.0187 10.4351 10.4351 12.0003 12.0003 13.0851 13.0851 14.6507 14.6507 15.5302 15.5302 15.9090 15.9090 16.4751 16.4751 k = 0.3235 0.1868 0.5283 ( 2556 PWs) bands (ev): -29.7123 -29.7123 -10.7922 -10.7922 -9.3864 -9.3864 -9.3688 -9.3688 -2.1586 -2.1586 -2.1568 -2.1568 -1.3170 -1.3170 -1.3132 -1.3132 -1.3016 -1.3016 6.2871 6.2871 8.2003 8.2003 8.3591 8.3591 9.1522 9.1522 9.2306 9.2306 9.3474 9.3474 9.4746 9.4746 9.5506 9.5506 9.6588 9.6588 9.7289 9.7289 9.7670 9.7670 10.0397 10.0397 10.4377 10.4377 12.0331 12.0331 13.1884 13.1884 14.5884 14.5884 15.5518 15.5518 15.8904 15.8904 16.5663 16.5663 k = 0.3162 0.1825 0.5163 ( 2558 PWs) bands (ev): -29.7123 -29.7123 -10.7920 -10.7920 -9.3863 -9.3863 -9.3684 -9.3684 -2.1588 -2.1588 -2.1563 -2.1563 -1.3165 -1.3165 -1.3132 -1.3132 -1.3017 -1.3017 6.2493 6.2493 8.1848 8.1848 8.4042 8.4042 9.1349 9.1349 9.2261 9.2261 9.3516 9.3516 9.4697 9.4697 9.5481 9.5481 9.6534 9.6534 9.7180 9.7180 9.7654 9.7654 10.0616 10.0616 10.4404 10.4404 12.0671 12.0671 13.2961 13.2961 14.5247 14.5247 15.5753 15.5753 15.8669 15.8669 16.6592 16.6592 k = 0.3088 0.1783 0.5043 ( 2558 PWs) bands (ev): -29.7123 -29.7123 -10.7918 -10.7918 -9.3862 -9.3862 -9.3679 -9.3679 -2.1591 -2.1591 -2.1558 -2.1558 -1.3162 -1.3162 -1.3133 -1.3133 -1.3017 -1.3017 6.2046 6.2046 8.1758 8.1758 8.4514 8.4514 9.1168 9.1168 9.2224 9.2224 9.3563 9.3563 9.4649 9.4649 9.5458 9.5458 9.6494 9.6494 9.7081 9.7081 9.7651 9.7651 10.0841 10.0841 10.4432 10.4432 12.1025 12.1025 13.4082 13.4082 14.4597 14.4597 15.6003 15.6003 15.8390 15.8390 16.7536 16.7536 k = 0.3015 0.1741 0.4923 ( 2552 PWs) bands (ev): -29.7124 -29.7124 -10.7915 -10.7915 -9.3860 -9.3860 -9.3673 -9.3673 -2.1593 -2.1593 -2.1554 -2.1554 -1.3160 -1.3160 -1.3133 -1.3133 -1.3017 -1.3017 6.1534 6.1534 8.1732 8.1732 8.5004 8.5004 9.0985 9.0985 9.2194 9.2194 9.3615 9.3615 9.4605 9.4605 9.5435 9.5435 9.6461 9.6461 9.6998 9.6998 9.7658 9.7658 10.1074 10.1074 10.4462 10.4462 12.1393 12.1393 13.5247 13.5247 14.3936 14.3936 15.6263 15.6263 15.8075 15.8075 16.8477 16.8477 k = 0.2941 0.1698 0.4803 ( 2556 PWs) bands (ev): -29.7124 -29.7124 -10.7912 -10.7912 -9.3858 -9.3858 -9.3666 -9.3666 -2.1596 -2.1596 -2.1550 -2.1550 -1.3159 -1.3159 -1.3135 -1.3135 -1.3017 -1.3017 6.0961 6.0961 8.1771 8.1771 8.5511 8.5511 9.0801 9.0801 9.2169 9.2169 9.3669 9.3669 9.4566 9.4566 9.5409 9.5409 9.6431 9.6431 9.6931 9.6931 9.7672 9.7672 10.1315 10.1315 10.4495 10.4495 12.1774 12.1774 13.6455 13.6455 14.3266 14.3266 15.6520 15.6520 15.7737 15.7737 16.7900 16.7900 k = 0.2868 0.1656 0.4683 ( 2554 PWs) bands (ev): -29.7125 -29.7125 -10.7908 -10.7908 -9.3855 -9.3855 -9.3660 -9.3660 -2.1599 -2.1599 -2.1547 -2.1547 -1.3158 -1.3158 -1.3137 -1.3137 -1.3016 -1.3016 6.0333 6.0333 8.1868 8.1868 8.6035 8.6035 9.0621 9.0621 9.2147 9.2147 9.3723 9.3723 9.4533 9.4533 9.5382 9.5382 9.6399 9.6399 9.6889 9.6889 9.7694 9.7694 10.1565 10.1565 10.4530 10.4530 12.2169 12.2169 13.7705 13.7705 14.2587 14.2587 15.6720 15.6720 15.7428 15.7428 16.7031 16.7031 k = 0.2794 0.1613 0.4563 ( 2554 PWs) bands (ev): -29.7125 -29.7125 -10.7904 -10.7904 -9.3852 -9.3852 -9.3653 -9.3653 -2.1603 -2.1603 -2.1545 -2.1545 -1.3159 -1.3159 -1.3139 -1.3139 -1.3016 -1.3016 5.9657 5.9657 8.2019 8.2019 8.6574 8.6574 9.0446 9.0446 9.2127 9.2127 9.3775 9.3775 9.4505 9.4505 9.5353 9.5353 9.6365 9.6365 9.6872 9.6872 9.7720 9.7720 10.1827 10.1827 10.4569 10.4569 12.2578 12.2578 13.8997 13.8997 14.1902 14.1902 15.6638 15.6638 15.7371 15.7371 16.6167 16.6167 k = 0.2721 0.1571 0.4443 ( 2548 PWs) bands (ev): -29.7126 -29.7126 -10.7900 -10.7900 -9.3848 -9.3848 -9.3645 -9.3645 -2.1606 -2.1606 -2.1543 -2.1543 -1.3160 -1.3160 -1.3142 -1.3142 -1.3016 -1.3016 5.8941 5.8941 8.2217 8.2217 8.7124 8.7124 9.0279 9.0279 9.2109 9.2109 9.3825 9.3825 9.4481 9.4481 9.5328 9.5328 9.6331 9.6331 9.6878 9.6878 9.7750 9.7750 10.2103 10.2103 10.4615 10.4615 12.3002 12.3002 14.0329 14.0329 14.1211 14.1211 15.6256 15.6256 15.7581 15.7581 16.5321 16.5321 k = 0.2647 0.1528 0.4323 ( 2548 PWs) bands (ev): -29.7126 -29.7126 -10.7895 -10.7895 -9.3842 -9.3842 -9.3637 -9.3637 -2.1610 -2.1610 -2.1542 -2.1542 -1.3162 -1.3162 -1.3145 -1.3145 -1.3016 -1.3016 5.8191 5.8191 8.2456 8.2456 8.7683 8.7683 9.0122 9.0122 9.2091 9.2091 9.3871 9.3871 9.4457 9.4457 9.5307 9.5307 9.6300 9.6300 9.6904 9.6904 9.7784 9.7784 10.2395 10.2395 10.4667 10.4667 12.3441 12.3441 14.0516 14.0516 14.1698 14.1698 15.5779 15.5779 15.7848 15.7848 16.4500 16.4500 k = 0.2574 0.1486 0.4203 ( 2552 PWs) bands (ev): -29.7127 -29.7127 -10.7890 -10.7890 -9.3837 -9.3837 -9.3630 -9.3630 -2.1614 -2.1614 -2.1542 -2.1542 -1.3164 -1.3164 -1.3149 -1.3149 -1.3018 -1.3018 5.7415 5.7415 8.2728 8.2728 8.8244 8.8244 8.9978 8.9978 9.2073 9.2073 9.3911 9.3911 9.4430 9.4430 9.5294 9.5294 9.6277 9.6277 9.6945 9.6945 9.7818 9.7818 10.2705 10.2705 10.4729 10.4729 12.3896 12.3896 13.9818 13.9818 14.3102 14.3102 15.5257 15.5257 15.8118 15.8118 16.3712 16.3712 k = 0.2500 0.1443 0.4082 ( 2548 PWs) bands (ev): -29.7128 -29.7128 -10.7885 -10.7885 -9.3830 -9.3830 -9.3621 -9.3621 -2.1618 -2.1618 -2.1543 -2.1543 -1.3167 -1.3167 -1.3153 -1.3153 -1.3019 -1.3019 5.6620 5.6620 8.3028 8.3028 8.8791 8.8791 8.9859 8.9859 9.2056 9.2056 9.3949 9.3949 9.4400 9.4400 9.5293 9.5293 9.6267 9.6267 9.6998 9.6998 9.7855 9.7855 10.3034 10.3034 10.4805 10.4805 12.4366 12.4366 13.9119 13.9119 14.4535 14.4535 15.4706 15.4706 15.8373 15.8373 16.2964 16.2964 k = 0.2426 0.1401 0.3962 ( 2556 PWs) bands (ev): -29.7128 -29.7128 -10.7879 -10.7879 -9.3822 -9.3822 -9.3613 -9.3613 -2.1622 -2.1622 -2.1545 -2.1545 -1.3171 -1.3171 -1.3158 -1.3158 -1.3022 -1.3022 5.5811 5.5811 8.3348 8.3348 8.9261 8.9261 8.9820 8.9820 9.2037 9.2037 9.3984 9.3984 9.4364 9.4364 9.5304 9.5304 9.6271 9.6271 9.7061 9.7061 9.7893 9.7893 10.3383 10.3383 10.4898 10.4898 12.4852 12.4852 13.8419 13.8419 14.5989 14.5989 15.4137 15.4137 15.8600 15.8600 16.2261 16.2261 k = 0.2353 0.1358 0.3842 ( 2551 PWs) bands (ev): -29.7129 -29.7129 -10.7873 -10.7873 -9.3814 -9.3814 -9.3605 -9.3605 -2.1626 -2.1626 -2.1547 -2.1547 -1.3175 -1.3175 -1.3162 -1.3162 -1.3025 -1.3025 5.4994 5.4994 8.3682 8.3682 8.9419 8.9419 9.0088 9.0088 9.2019 9.2019 9.4027 9.4027 9.4322 9.4322 9.5331 9.5331 9.6290 9.6290 9.7133 9.7133 9.7931 9.7931 10.3748 10.3748 10.5019 10.5019 12.5355 12.5355 13.7721 13.7721 14.7441 14.7441 15.3577 15.3577 15.8790 15.8790 16.1605 16.1605 k = 0.2279 0.1316 0.3722 ( 2561 PWs) bands (ev): -29.7130 -29.7130 -10.7866 -10.7866 -9.3805 -9.3805 -9.3597 -9.3597 -2.1632 -2.1632 -2.1550 -2.1550 -1.3180 -1.3180 -1.3167 -1.3167 -1.3029 -1.3029 5.4174 5.4174 8.4027 8.4027 8.9363 8.9363 9.0545 9.0545 9.2002 9.2002 9.4084 9.4084 9.4277 9.4277 9.5373 9.5373 9.6322 9.6322 9.7210 9.7210 9.7970 9.7970 10.4119 10.4119 10.5183 10.5183 12.5875 12.5875 13.7025 13.7025 14.8832 14.8832 15.3085 15.3085 15.8933 15.8933 16.1001 16.1001 k = 0.2206 0.1274 0.3602 ( 2561 PWs) bands (ev): -29.7131 -29.7131 -10.7860 -10.7860 -9.3794 -9.3794 -9.3589 -9.3589 -2.1636 -2.1636 -2.1554 -2.1554 -1.3184 -1.3184 -1.3172 -1.3172 -1.3035 -1.3035 5.3354 5.3354 8.4377 8.4377 8.9279 8.9279 9.0984 9.0984 9.1989 9.1989 9.4135 9.4135 9.4270 9.4270 9.5431 9.5431 9.6365 9.6365 9.7293 9.7293 9.8008 9.8008 10.4476 10.4476 10.5418 10.5418 12.6412 12.6412 13.6332 13.6332 14.9957 14.9957 15.2871 15.2871 15.9019 15.9019 16.0449 16.0449 k = 0.2132 0.1231 0.3482 ( 2557 PWs) bands (ev): -29.7131 -29.7131 -10.7852 -10.7852 -9.3783 -9.3783 -9.3580 -9.3580 -2.1641 -2.1641 -2.1558 -2.1558 -1.3189 -1.3189 -1.3177 -1.3177 -1.3040 -1.3040 5.2539 5.2539 8.4728 8.4728 8.9197 8.9197 9.1343 9.1343 9.1988 9.1988 9.4100 9.4100 9.4403 9.4403 9.5504 9.5504 9.6417 9.6417 9.7381 9.7381 9.8047 9.8047 10.4793 10.4793 10.5754 10.5754 12.6966 12.6966 13.5644 13.5644 15.0334 15.0334 15.3413 15.3413 15.9042 15.9042 15.9958 15.9958 k = 0.2059 0.1189 0.3362 ( 2565 PWs) bands (ev): -29.7132 -29.7132 -10.7845 -10.7845 -9.3771 -9.3771 -9.3572 -9.3572 -2.1646 -2.1646 -2.1563 -2.1563 -1.3195 -1.3195 -1.3182 -1.3182 -1.3047 -1.3047 5.1732 5.1732 8.5075 8.5075 8.9122 8.9122 9.1577 9.1577 9.2014 9.2014 9.4028 9.4028 9.4639 9.4639 9.5596 9.5596 9.6475 9.6475 9.7471 9.7471 9.8086 9.8086 10.5069 10.5069 10.6199 10.6199 12.7539 12.7539 13.4961 13.4961 15.0025 15.0025 15.4638 15.4638 15.8990 15.8990 15.9547 15.9547 k = 0.1985 0.1146 0.3242 ( 2565 PWs) bands (ev): -29.7133 -29.7133 -10.7838 -10.7838 -9.3759 -9.3759 -9.3564 -9.3564 -2.1651 -2.1651 -2.1569 -2.1569 -1.3201 -1.3201 -1.3187 -1.3187 -1.3055 -1.3055 5.0936 5.0936 8.5418 8.5418 8.9056 8.9056 9.1677 9.1677 9.2071 9.2071 9.3944 9.3944 9.4948 9.4948 9.5716 9.5716 9.6535 9.6535 9.7565 9.7565 9.8127 9.8127 10.5329 10.5329 10.6735 10.6735 12.8130 12.8130 13.4285 13.4285 14.9477 14.9477 15.6047 15.6047 15.8854 15.8854 15.9281 15.9281 k = 0.1912 0.1104 0.3122 ( 2557 PWs) bands (ev): -29.7134 -29.7134 -10.7830 -10.7830 -9.3745 -9.3745 -9.3556 -9.3556 -2.1656 -2.1656 -2.1575 -2.1575 -1.3206 -1.3206 -1.3193 -1.3193 -1.3063 -1.3063 5.0153 5.0153 8.5753 8.5753 8.9002 8.9002 9.1696 9.1696 9.2121 9.2121 9.3853 9.3853 9.5272 9.5272 9.5897 9.5897 9.6596 9.6596 9.7661 9.7661 9.8170 9.8170 10.5599 10.5599 10.7341 10.7341 12.8740 12.8740 13.3618 13.3618 14.8861 14.8861 15.7220 15.7220 15.8671 15.8671 15.9378 15.9378 k = 0.1838 0.1061 0.3002 ( 2555 PWs) bands (ev): -29.7135 -29.7135 -10.7822 -10.7822 -9.3731 -9.3731 -9.3548 -9.3548 -2.1660 -2.1660 -2.1581 -2.1581 -1.3211 -1.3211 -1.3198 -1.3198 -1.3072 -1.3072 4.9387 4.9387 8.6079 8.6079 8.8958 8.8958 9.1682 9.1682 9.2137 9.2137 9.3755 9.3755 9.5530 9.5530 9.6189 9.6189 9.6655 9.6655 9.7756 9.7756 9.8217 9.8217 10.5898 10.5898 10.8004 10.8004 12.9368 12.9368 13.2960 13.2960 14.8228 14.8228 15.7575 15.7575 15.8471 15.8471 16.0344 16.0344 k = 0.1765 0.1019 0.2882 ( 2563 PWs) bands (ev): -29.7136 -29.7136 -10.7814 -10.7814 -9.3717 -9.3717 -9.3541 -9.3541 -2.1666 -2.1666 -2.1589 -2.1589 -1.3217 -1.3217 -1.3203 -1.3203 -1.3082 -1.3082 4.8638 4.8638 8.6394 8.6394 8.8924 8.8924 9.1652 9.1652 9.2120 9.2120 9.3653 9.3653 9.5699 9.5699 9.6574 9.6574 9.6719 9.6719 9.7848 9.7848 9.8271 9.8271 10.6239 10.6239 10.8715 10.8715 13.0016 13.0016 13.2313 13.2313 14.7602 14.7602 15.7429 15.7429 15.8214 15.8214 16.1888 16.1888 k = 0.1691 0.0976 0.2762 ( 2561 PWs) bands (ev): -29.7137 -29.7137 -10.7805 -10.7805 -9.3702 -9.3702 -9.3533 -9.3533 -2.1670 -2.1670 -2.1597 -2.1597 -1.3223 -1.3223 -1.3209 -1.3209 -1.3093 -1.3093 4.7910 4.7910 8.6697 8.6697 8.8902 8.8902 9.1616 9.1616 9.2079 9.2079 9.3547 9.3547 9.5824 9.5824 9.6749 9.6749 9.7025 9.7025 9.7938 9.7938 9.8337 9.8337 10.6632 10.6632 10.9470 10.9470 13.0683 13.0683 13.1678 13.1678 14.6996 14.6996 15.7175 15.7175 15.7908 15.7908 16.3605 16.3605 k = 0.1618 0.0934 0.2642 ( 2561 PWs) bands (ev): -29.7138 -29.7138 -10.7797 -10.7797 -9.3686 -9.3686 -9.3526 -9.3526 -2.1675 -2.1675 -2.1605 -2.1605 -1.3228 -1.3228 -1.3215 -1.3215 -1.3104 -1.3104 4.7202 4.7202 8.6988 8.6988 8.8891 8.8891 9.1576 9.1576 9.2022 9.2022 9.3437 9.3437 9.5928 9.5928 9.6798 9.6798 9.7438 9.7438 9.8028 9.8028 9.8418 9.8418 10.7084 10.7084 11.0262 11.0262 13.1041 13.1041 13.1386 13.1386 14.6420 14.6420 15.6905 15.6905 15.7567 15.7567 16.5389 16.5389 k = 0.1544 0.0891 0.2522 ( 2571 PWs) bands (ev): -29.7139 -29.7139 -10.7789 -10.7789 -9.3671 -9.3671 -9.3519 -9.3519 -2.1681 -2.1681 -2.1614 -2.1614 -1.3234 -1.3234 -1.3221 -1.3221 -1.3116 -1.3116 4.6518 4.6518 8.7264 8.7264 8.8890 8.8890 9.1532 9.1532 9.1954 9.1954 9.3324 9.3324 9.6022 9.6022 9.6837 9.6837 9.7787 9.7787 9.8143 9.8143 9.8519 9.8519 10.7599 10.7599 11.1085 11.1085 13.0438 13.0438 13.2087 13.2087 14.5882 14.5882 15.6638 15.6638 15.7203 15.7203 16.7209 16.7209 k = 0.1471 0.0849 0.2401 ( 2571 PWs) bands (ev): -29.7140 -29.7140 -10.7780 -10.7780 -9.3655 -9.3655 -9.3512 -9.3512 -2.1686 -2.1686 -2.1622 -2.1622 -1.3240 -1.3240 -1.3227 -1.3227 -1.3128 -1.3128 4.5859 4.5859 8.7528 8.7528 8.8901 8.8901 9.1487 9.1487 9.1880 9.1880 9.3209 9.3209 9.6109 9.6109 9.6869 9.6869 9.7982 9.7982 9.8355 9.8355 9.8647 9.8647 10.8181 10.8181 11.1936 11.1936 12.9844 12.9844 13.2817 13.2817 14.5391 14.5391 15.6378 15.6378 15.6827 15.6827 16.9047 16.9047 k = 0.1397 0.0807 0.2281 ( 2581 PWs) bands (ev): -29.7140 -29.7140 -10.7772 -10.7772 -9.3639 -9.3639 -9.3506 -9.3506 -2.1691 -2.1691 -2.1632 -2.1632 -1.3246 -1.3246 -1.3233 -1.3233 -1.3141 -1.3141 4.5225 4.5225 8.7778 8.7778 8.8921 8.8921 9.1441 9.1441 9.1802 9.1802 9.3092 9.3092 9.6188 9.6188 9.6894 9.6894 9.8060 9.8060 9.8597 9.8597 9.8824 9.8824 10.8830 10.8830 11.2805 11.2805 12.9266 12.9266 13.3568 13.3568 14.4951 14.4951 15.6120 15.6120 15.6454 15.6454 17.0869 17.0869 k = 0.1324 0.0764 0.2161 ( 2593 PWs) bands (ev): -29.7141 -29.7141 -10.7764 -10.7764 -9.3623 -9.3623 -9.3499 -9.3499 -2.1697 -2.1697 -2.1641 -2.1641 -1.3251 -1.3251 -1.3240 -1.3240 -1.3154 -1.3154 4.4617 4.4617 8.8013 8.8013 8.8952 8.8952 9.1394 9.1394 9.1724 9.1724 9.2973 9.2973 9.6263 9.6263 9.6913 9.6913 9.8102 9.8102 9.8782 9.8782 9.9054 9.9054 10.9541 10.9541 11.3688 11.3688 12.8704 12.8704 13.4341 13.4341 14.4573 14.4573 15.5842 15.5842 15.6111 15.6111 17.2020 17.2020 k = 0.1250 0.0722 0.2041 ( 2593 PWs) bands (ev): -29.7142 -29.7142 -10.7756 -10.7756 -9.3607 -9.3607 -9.3493 -9.3493 -2.1701 -2.1701 -2.1650 -2.1650 -1.3256 -1.3256 -1.3245 -1.3245 -1.3166 -1.3166 4.4038 4.4038 8.8234 8.8234 8.8995 8.8995 9.1347 9.1347 9.1647 9.1647 9.2853 9.2853 9.6331 9.6331 9.6927 9.6927 9.8130 9.8130 9.8937 9.8937 9.9292 9.9292 11.0312 11.0312 11.4575 11.4575 12.8161 12.8161 13.5135 13.5135 14.4262 14.4262 15.5515 15.5515 15.5835 15.5835 17.0936 17.0936 k = 0.1176 0.0679 0.1921 ( 2593 PWs) bands (ev): -29.7143 -29.7143 -10.7748 -10.7748 -9.3591 -9.3591 -9.3488 -9.3488 -2.1706 -2.1706 -2.1659 -2.1659 -1.3261 -1.3261 -1.3251 -1.3251 -1.3178 -1.3178 4.3487 4.3487 8.8439 8.8439 8.9049 8.9049 9.1300 9.1300 9.1573 9.1573 9.2733 9.2733 9.6394 9.6394 9.6935 9.6935 9.8150 9.8150 9.9085 9.9085 9.9509 9.9509 11.1136 11.1136 11.5458 11.5458 12.7639 12.7639 13.5950 13.5950 14.4026 14.4026 15.5153 15.5153 15.5613 15.5613 16.9554 16.9554 k = 0.1103 0.0637 0.1801 ( 2589 PWs) bands (ev): -29.7144 -29.7144 -10.7740 -10.7740 -9.3575 -9.3575 -9.3482 -9.3482 -2.1710 -2.1710 -2.1667 -2.1667 -1.3265 -1.3265 -1.3256 -1.3256 -1.3190 -1.3190 4.2966 4.2966 8.8627 8.8627 8.9115 8.9115 9.1252 9.1252 9.1503 9.1503 9.2612 9.2612 9.6452 9.6452 9.6939 9.6939 9.8166 9.8166 9.9231 9.9231 9.9698 9.9698 11.2005 11.2005 11.6328 11.6328 12.7137 12.7137 13.6788 13.6788 14.3874 14.3874 15.4783 15.4783 15.5422 15.5422 16.8072 16.8072 k = 0.1029 0.0594 0.1681 ( 2585 PWs) bands (ev): -29.7145 -29.7145 -10.7733 -10.7733 -9.3560 -9.3560 -9.3477 -9.3477 -2.1714 -2.1714 -2.1676 -2.1676 -1.3269 -1.3269 -1.3261 -1.3261 -1.3202 -1.3202 4.2475 4.2475 8.8797 8.8797 8.9194 8.9194 9.1204 9.1204 9.1437 9.1437 9.2491 9.2491 9.6504 9.6504 9.6937 9.6937 9.8177 9.8177 9.9377 9.9377 9.9862 9.9862 11.2912 11.2912 11.7175 11.7175 12.6658 12.6658 13.7646 13.7646 14.3814 14.3814 15.4419 15.4419 15.5250 15.5250 16.6537 16.6537 k = 0.0956 0.0552 0.1561 ( 2585 PWs) bands (ev): -29.7145 -29.7145 -10.7726 -10.7726 -9.3545 -9.3545 -9.3472 -9.3472 -2.1718 -2.1718 -2.1684 -2.1684 -1.3273 -1.3273 -1.3266 -1.3266 -1.3214 -1.3214 4.2015 4.2015 8.8947 8.8947 8.9287 8.9287 9.1155 9.1155 9.1377 9.1377 9.2371 9.2371 9.6551 9.6551 9.6932 9.6932 9.8186 9.8186 9.9520 9.9520 10.0003 10.0003 11.3848 11.3848 11.7989 11.7989 12.6204 12.6204 13.8524 13.8524 14.3853 14.3853 15.4066 15.4066 15.5093 15.5093 16.4985 16.4985 k = 0.0882 0.0509 0.1441 ( 2581 PWs) bands (ev): -29.7146 -29.7146 -10.7719 -10.7719 -9.3531 -9.3531 -9.3468 -9.3468 -2.1721 -2.1721 -2.1692 -2.1692 -1.3277 -1.3277 -1.3271 -1.3271 -1.3225 -1.3225 4.1587 4.1587 8.9078 8.9078 8.9392 8.9392 9.1105 9.1105 9.1323 9.1323 9.2252 9.2252 9.6594 9.6594 9.6924 9.6924 9.8192 9.8192 9.9662 9.9662 10.0123 10.0123 11.4805 11.4805 11.8761 11.8761 12.5775 12.5775 13.9422 13.9422 14.4000 14.4000 15.3725 15.3725 15.4948 15.4948 16.3439 16.3439 k = 0.0809 0.0467 0.1321 ( 2581 PWs) bands (ev): -29.7147 -29.7147 -10.7713 -10.7713 -9.3518 -9.3518 -9.3463 -9.3463 -2.1725 -2.1725 -2.1699 -2.1699 -1.3280 -1.3280 -1.3275 -1.3275 -1.3236 -1.3236 4.1191 4.1191 8.9196 8.9196 8.9504 8.9504 9.1054 9.1054 9.1274 9.1274 9.2135 9.2135 9.6631 9.6631 9.6913 9.6913 9.8197 9.8197 9.9800 9.9800 10.0226 10.0226 11.5772 11.5772 11.9482 11.9482 12.5372 12.5372 14.0339 14.0339 14.4260 14.4260 15.3399 15.3399 15.4813 15.4813 16.1923 16.1923 k = 0.0735 0.0425 0.1201 ( 2583 PWs) bands (ev): -29.7147 -29.7147 -10.7707 -10.7707 -9.3505 -9.3505 -9.3460 -9.3460 -2.1728 -2.1728 -2.1707 -2.1707 -1.3283 -1.3283 -1.3279 -1.3279 -1.3246 -1.3246 4.0828 4.0828 8.9306 8.9306 8.9616 8.9616 9.1002 9.1002 9.1230 9.1230 9.2022 9.2022 9.6663 9.6663 9.6900 9.6900 9.8200 9.8200 9.9931 9.9931 10.0312 10.0312 11.6740 11.6740 12.0143 12.0143 12.4998 12.4998 14.1272 14.1272 14.4638 14.4638 15.3087 15.3087 15.4687 15.4687 16.0456 16.0456 k = 0.0662 0.0382 0.1081 ( 2583 PWs) bands (ev): -29.7148 -29.7148 -10.7702 -10.7702 -9.3494 -9.3494 -9.3456 -9.3456 -2.1731 -2.1731 -2.1713 -2.1713 -1.3286 -1.3286 -1.3283 -1.3283 -1.3256 -1.3256 4.0498 4.0498 8.9412 8.9412 8.9724 8.9724 9.0951 9.0951 9.1188 9.1188 9.1914 9.1914 9.6692 9.6692 9.6887 9.6887 9.8203 9.8203 10.0055 10.0055 10.0386 10.0386 11.7698 11.7698 12.0740 12.0740 12.4655 12.4655 14.2221 14.2221 14.5135 14.5135 15.2785 15.2785 15.4564 15.4564 15.9061 15.9061 k = 0.0588 0.0340 0.0961 ( 2583 PWs) bands (ev): -29.7148 -29.7148 -10.7697 -10.7697 -9.3483 -9.3483 -9.3453 -9.3453 -2.1734 -2.1734 -2.1719 -2.1719 -1.3289 -1.3289 -1.3287 -1.3287 -1.3265 -1.3265 4.0201 4.0201 8.9517 8.9517 8.9825 8.9825 9.0900 9.0900 9.1144 9.1144 9.1814 9.1814 9.6716 9.6716 9.6872 9.6872 9.8204 9.8204 10.0172 10.0172 10.0448 10.0448 11.8632 11.8632 12.1267 12.1267 12.4343 12.4343 14.3184 14.3184 14.5748 14.5748 15.2491 15.2491 15.4437 15.4437 15.7766 15.7766 k = 0.0515 0.0297 0.0841 ( 2601 PWs) bands (ev): -29.7149 -29.7149 -10.7692 -10.7692 -9.3474 -9.3474 -9.3451 -9.3451 -2.1738 -2.1738 -2.1726 -2.1726 -1.3293 -1.3293 -1.3291 -1.3291 -1.3273 -1.3273 3.9939 3.9939 8.9622 8.9622 8.9915 8.9915 9.0850 9.0850 9.1096 9.1096 9.1725 9.1725 9.6736 9.6736 9.6857 9.6857 9.8204 9.8204 10.0277 10.0277 10.0498 10.0498 11.9527 11.9527 12.1723 12.1723 12.4063 12.4063 14.4160 14.4160 14.6468 14.6468 15.2196 15.2196 15.4289 15.4289 15.6613 15.6613 k = 0.0441 0.0255 0.0720 ( 2601 PWs) bands (ev): -29.7149 -29.7149 -10.7689 -10.7689 -9.3465 -9.3465 -9.3448 -9.3448 -2.1740 -2.1740 -2.1731 -2.1731 -1.3295 -1.3295 -1.3294 -1.3294 -1.3280 -1.3280 3.9711 3.9711 8.9729 8.9729 8.9996 8.9996 9.0804 9.0804 9.1041 9.1041 9.1650 9.1650 9.6754 9.6754 9.6844 9.6844 9.8205 9.8205 10.0371 10.0371 10.0541 10.0541 12.0368 12.0368 12.2110 12.2110 12.3818 12.3818 14.5148 14.5148 14.7279 14.7279 15.1888 15.1888 15.4073 15.4073 15.5674 15.5674 k = 0.0368 0.0212 0.0600 ( 2607 PWs) bands (ev): -29.7150 -29.7150 -10.7685 -10.7685 -9.3458 -9.3458 -9.3446 -9.3446 -2.1742 -2.1742 -2.1735 -2.1735 -1.3297 -1.3297 -1.3297 -1.3297 -1.3287 -1.3287 3.9517 3.9517 8.9835 8.9835 9.0067 9.0067 9.0760 9.0760 9.0974 9.0974 9.1591 9.1591 9.6768 9.6768 9.6832 9.6832 9.8205 9.8205 10.0452 10.0452 10.0575 10.0575 12.1134 12.1134 12.2428 12.2428 12.3609 12.3609 14.6146 14.6146 14.8158 14.8158 15.1553 15.1553 15.3716 15.3716 15.5055 15.5055 k = 0.0294 0.0170 0.0480 ( 2619 PWs) bands (ev): -29.7150 -29.7150 -10.7683 -10.7683 -9.3452 -9.3452 -9.3445 -9.3445 -2.1744 -2.1744 -2.1740 -2.1740 -1.3299 -1.3299 -1.3299 -1.3299 -1.3293 -1.3293 3.9359 3.9359 8.9941 8.9941 9.0128 9.0128 9.0719 9.0719 9.0897 9.0897 9.1547 9.1547 9.6780 9.6780 9.6821 9.6821 9.8205 9.8205 10.0520 10.0520 10.0601 10.0601 12.1804 12.1804 12.2681 12.2681 12.3438 12.3438 14.7148 14.7148 14.9072 14.9072 15.1187 15.1187 15.3240 15.3240 15.4749 15.4749 k = 0.0221 0.0127 0.0360 ( 2631 PWs) bands (ev): -29.7150 -29.7150 -10.7681 -10.7681 -9.3448 -9.3448 -9.3443 -9.3443 -2.1746 -2.1746 -2.1743 -2.1743 -1.3301 -1.3301 -1.3301 -1.3301 -1.3297 -1.3297 3.9235 3.9235 9.0044 9.0044 9.0177 9.0177 9.0684 9.0684 9.0814 9.0814 9.1518 9.1518 9.6787 9.6787 9.6810 9.6810 9.8204 9.8204 10.0576 10.0576 10.0622 10.0622 12.2352 12.2352 12.2874 12.2874 12.3307 12.3307 14.8138 14.8138 14.9979 14.9979 15.0812 15.0812 15.2778 15.2778 15.4610 15.4610 k = 0.0147 0.0085 0.0240 ( 2637 PWs) bands (ev): -29.7151 -29.7151 -10.7679 -10.7679 -9.3444 -9.3444 -9.3442 -9.3442 -2.1747 -2.1747 -2.1746 -2.1746 -1.3303 -1.3303 -1.3302 -1.3302 -1.3301 -1.3301 3.9147 3.9147 9.0139 9.0139 9.0214 9.0214 9.0657 9.0657 9.0731 9.0731 9.1500 9.1500 9.6793 9.6793 9.6803 9.6803 9.8203 9.8203 10.0616 10.0616 10.0637 10.0637 12.2752 12.2752 12.3012 12.3012 12.3220 12.3220 14.9079 14.9079 15.0479 15.0479 15.0822 15.0822 15.2367 15.2367 15.4543 15.4543 k = 0.0074 0.0042 0.0120 ( 2637 PWs) bands (ev): -29.7151 -29.7151 -10.7678 -10.7678 -9.3442 -9.3442 -9.3442 -9.3442 -2.1747 -2.1747 -2.1747 -2.1747 -1.3303 -1.3303 -1.3303 -1.3303 -1.3303 -1.3303 3.9094 3.9094 9.0215 9.0215 9.0239 9.0239 9.0639 9.0639 9.0662 9.0662 9.1490 9.1490 9.6796 9.6796 9.6799 9.6799 9.8203 9.8203 10.0640 10.0640 10.0645 10.0645 12.2956 12.2956 12.3122 12.3122 12.3184 12.3184 14.9876 14.9876 15.0256 15.0256 15.1491 15.1491 15.1990 15.1990 15.4514 15.4514 k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): -29.7151 -29.7151 -10.7678 -10.7678 -9.3442 -9.3442 -9.3442 -9.3442 -2.1747 -2.1747 -2.1747 -2.1747 -1.3303 -1.3303 -1.3303 -1.3303 -1.3303 -1.3303 3.9076 3.9076 9.0247 9.0247 9.0247 9.0247 9.0632 9.0632 9.0632 9.0632 9.1487 9.1487 9.6797 9.6797 9.6797 9.6797 9.8203 9.8203 10.0648 10.0648 10.0648 10.0648 12.2995 12.2995 12.3181 12.3181 12.3181 12.3181 15.0177 15.0177 15.0250 15.0250 15.1780 15.1780 15.1780 15.1780 15.4506 15.4506 k = 0.0000 0.0000 0.0000 ( 2637 PWs) bands (ev): -29.7151 -29.7151 -10.7678 -10.7678 -9.3442 -9.3442 -9.3442 -9.3442 -2.1747 -2.1747 -2.1747 -2.1747 -1.3303 -1.3303 -1.3303 -1.3303 -1.3303 -1.3303 3.9076 3.9076 9.0247 9.0247 9.0247 9.0247 9.0632 9.0632 9.0632 9.0632 9.1487 9.1487 9.6797 9.6797 9.6797 9.6797 9.8203 9.8203 10.0648 10.0648 10.0648 10.0648 12.2995 12.2995 12.3181 12.3181 12.3181 12.3181 15.0177 15.0177 15.0250 15.0250 15.1780 15.1780 15.1780 15.1780 15.4506 15.4506 k = 0.0119 0.0069 0.0049 ( 2637 PWs) bands (ev): -29.7151 -29.7151 -10.7678 -10.7678 -9.3442 -9.3442 -9.3442 -9.3442 -2.1747 -2.1747 -2.1747 -2.1747 -1.3303 -1.3303 -1.3303 -1.3303 -1.3303 -1.3303 3.9094 3.9094 9.0221 9.0221 9.0233 9.0233 9.0640 9.0640 9.0661 9.0661 9.1490 9.1490 9.6796 9.6796 9.6799 9.6799 9.8203 9.8203 10.0642 10.0642 10.0643 10.0643 12.2952 12.2952 12.3126 12.3126 12.3186 12.3186 14.9895 14.9895 15.0256 15.0256 15.1463 15.1463 15.1997 15.1997 15.4520 15.4520 k = 0.0238 0.0137 0.0097 ( 2637 PWs) bands (ev): -29.7151 -29.7151 -10.7679 -10.7679 -9.3444 -9.3444 -9.3442 -9.3442 -2.1746 -2.1746 -2.1746 -2.1746 -1.3302 -1.3302 -1.3302 -1.3302 -1.3301 -1.3301 3.9146 3.9146 9.0159 9.0159 9.0195 9.0195 9.0657 9.0657 9.0730 9.0730 9.1500 9.1500 9.6792 9.6792 9.6803 9.6803 9.8203 9.8203 10.0625 10.0625 10.0628 10.0628 12.2703 12.2703 12.3087 12.3087 12.3200 12.3200 14.9195 14.9195 15.0471 15.0471 15.0774 15.0774 15.2177 15.2177 15.4729 15.4729 k = 0.0357 0.0206 0.0146 ( 2631 PWs) bands (ev): -29.7150 -29.7150 -10.7681 -10.7681 -9.3448 -9.3448 -9.3443 -9.3443 -2.1745 -2.1745 -2.1744 -2.1744 -1.3301 -1.3301 -1.3300 -1.3300 -1.3299 -1.3299 3.9233 3.9233 9.0082 9.0082 9.0142 9.0142 9.0674 9.0674 9.0821 9.0821 9.1518 9.1518 9.6786 9.6786 9.6812 9.6812 9.8204 9.8204 10.0596 10.0596 10.0603 10.0603 12.2231 12.2231 12.3093 12.3093 12.3224 12.3224 14.8420 14.8420 14.9976 14.9976 15.0723 15.0723 15.2053 15.2053 15.5322 15.5322 k = 0.0476 0.0275 0.0194 ( 2619 PWs) bands (ev): -29.7150 -29.7150 -10.7683 -10.7683 -9.3452 -9.3452 -9.3444 -9.3444 -2.1743 -2.1743 -2.1741 -2.1741 -1.3299 -1.3299 -1.3298 -1.3298 -1.3294 -1.3294 3.9354 3.9354 9.0000 9.0000 9.0082 9.0082 9.0682 9.0682 9.0922 9.0922 9.1547 9.1547 9.6779 9.6779 9.6822 9.6822 9.8205 9.8205 10.0556 10.0556 10.0569 10.0569 12.1581 12.1581 12.3113 12.3113 12.3258 12.3258 14.7642 14.7642 14.9159 14.9159 15.0646 15.0646 15.2113 15.2113 15.6181 15.6181 k = 0.0595 0.0344 0.0243 ( 2610 PWs) bands (ev): -29.7150 -29.7150 -10.7685 -10.7685 -9.3458 -9.3458 -9.3446 -9.3446 -2.1740 -2.1740 -2.1738 -2.1738 -1.3297 -1.3297 -1.3295 -1.3295 -1.3289 -1.3289 3.9510 3.9510 8.9916 8.9916 9.0017 9.0017 9.0677 9.0677 9.1029 9.1029 9.1589 9.1589 9.6767 9.6767 9.6833 9.6833 9.8206 9.8206 10.0505 10.0505 10.0525 10.0525 12.0782 12.0782 12.3140 12.3140 12.3298 12.3298 14.6885 14.6885 14.8357 14.8357 15.0091 15.0091 15.2660 15.2660 15.7175 15.7175 k = 0.0714 0.0412 0.0292 ( 2610 PWs) bands (ev): -29.7149 -29.7149 -10.7688 -10.7688 -9.3465 -9.3465 -9.3448 -9.3448 -2.1737 -2.1737 -2.1735 -2.1735 -1.3295 -1.3295 -1.3292 -1.3292 -1.3284 -1.3284 3.9700 3.9700 8.9834 8.9834 8.9951 8.9951 9.0653 9.0653 9.1138 9.1138 9.1642 9.1642 9.6753 9.6753 9.6844 9.6844 9.8205 9.8205 10.0444 10.0444 10.0473 10.0473 11.9856 11.9856 12.3170 12.3170 12.3343 12.3343 14.6160 14.6160 14.7583 14.7583 14.9367 14.9367 15.3456 15.3456 15.8243 15.8243 k = 0.0833 0.0481 0.0340 ( 2598 PWs) bands (ev): -29.7149 -29.7149 -10.7692 -10.7692 -9.3474 -9.3474 -9.3450 -9.3450 -2.1733 -2.1733 -2.1730 -2.1730 -1.3292 -1.3292 -1.3289 -1.3289 -1.3277 -1.3277 3.9924 3.9924 8.9756 8.9756 8.9886 8.9886 9.0611 9.0611 9.1251 9.1251 9.1708 9.1708 9.6736 9.6736 9.6857 9.6857 9.8205 9.8205 10.0373 10.0373 10.0413 10.0413 11.8825 11.8825 12.3203 12.3203 12.3393 12.3393 14.5474 14.5474 14.6847 14.6847 14.8604 14.8604 15.4396 15.4396 15.9362 15.9362 k = 0.0952 0.0550 0.0389 ( 2604 PWs) bands (ev): -29.7149 -29.7149 -10.7697 -10.7697 -9.3484 -9.3484 -9.3452 -9.3452 -2.1730 -2.1730 -2.1726 -2.1726 -1.3289 -1.3289 -1.3286 -1.3286 -1.3270 -1.3270 4.0182 4.0182 8.9680 8.9680 8.9821 8.9821 9.0552 9.0552 9.1364 9.1364 9.1781 9.1781 9.6716 9.6716 9.6870 9.6870 9.8204 9.8204 10.0290 10.0290 10.0342 10.0342 11.7708 11.7708 12.3235 12.3235 12.3445 12.3445 14.4831 14.4831 14.6152 14.6152 14.7847 14.7847 15.5444 15.5444 16.0519 16.0519 k = 0.1071 0.0619 0.0437 ( 2586 PWs) bands (ev): -29.7148 -29.7148 -10.7701 -10.7701 -9.3494 -9.3494 -9.3455 -9.3455 -2.1724 -2.1724 -2.1721 -2.1721 -1.3285 -1.3285 -1.3281 -1.3281 -1.3261 -1.3261 4.0474 4.0474 8.9610 8.9610 8.9760 8.9760 9.0481 9.0481 9.1479 9.1479 9.1862 9.1862 9.6695 9.6695 9.6884 9.6884 9.8204 9.8204 10.0198 10.0198 10.0265 10.0265 11.6523 11.6523 12.3266 12.3266 12.3498 12.3498 14.4237 14.4237 14.5504 14.5504 14.7115 14.7115 15.6581 15.6581 16.1706 16.1706 k = 0.1190 0.0687 0.0486 ( 2586 PWs) bands (ev): -29.7147 -29.7147 -10.7707 -10.7707 -9.3506 -9.3506 -9.3458 -9.3458 -2.1720 -2.1720 -2.1716 -2.1716 -1.3281 -1.3281 -1.3277 -1.3277 -1.3253 -1.3253 4.0799 4.0799 8.9544 8.9544 8.9701 8.9701 9.0396 9.0396 9.1593 9.1593 9.1947 9.1947 9.6671 9.6671 9.6896 9.6896 9.8203 9.8203 10.0096 10.0096 10.0179 10.0179 11.5286 11.5286 12.3291 12.3291 12.3547 12.3547 14.3694 14.3694 14.4908 14.4908 14.6416 14.6416 15.7794 15.7794 16.2919 16.2919 k = 0.1310 0.0756 0.0535 ( 2577 PWs) bands (ev): -29.7147 -29.7147 -10.7712 -10.7712 -9.3519 -9.3519 -9.3461 -9.3461 -2.1714 -2.1714 -2.1710 -2.1710 -1.3276 -1.3276 -1.3272 -1.3272 -1.3243 -1.3243 4.1156 4.1156 8.9482 8.9482 8.9644 8.9644 9.0302 9.0302 9.1708 9.1708 9.2035 9.2035 9.6644 9.6644 9.6907 9.6907 9.8200 9.8200 9.9986 9.9986 10.0087 10.0087 11.4010 11.4010 12.3309 12.3309 12.3591 12.3591 14.3205 14.3205 14.4366 14.4366 14.5755 14.5755 15.9075 15.9075 16.4154 16.4154 k = 0.1429 0.0825 0.0583 ( 2574 PWs) bands (ev): -29.7146 -29.7146 -10.7719 -10.7719 -9.3533 -9.3533 -9.3464 -9.3464 -2.1708 -2.1708 -2.1703 -2.1703 -1.3272 -1.3272 -1.3267 -1.3267 -1.3232 -1.3232 4.1546 4.1546 8.9425 8.9425 8.9587 8.9587 9.0199 9.0199 9.1822 9.1822 9.2124 9.2124 9.6615 9.6615 9.6915 9.6915 9.8196 9.8196 9.9866 9.9866 9.9988 9.9988 11.2708 11.2708 12.3317 12.3317 12.3626 12.3626 14.2774 14.2774 14.3882 14.3882 14.5135 14.5135 16.0417 16.0417 16.5408 16.5408 k = 0.1548 0.0894 0.0632 ( 2577 PWs) bands (ev): -29.7145 -29.7145 -10.7725 -10.7725 -9.3547 -9.3547 -9.3468 -9.3468 -2.1703 -2.1703 -2.1697 -2.1697 -1.3267 -1.3267 -1.3261 -1.3261 -1.3222 -1.3222 4.1968 4.1968 8.9373 8.9373 8.9528 8.9528 9.0092 9.0092 9.1935 9.1935 9.2212 9.2212 9.6583 9.6583 9.6922 9.6922 9.8190 9.8190 9.9738 9.9738 9.9882 9.9882 11.1392 11.1392 12.3314 12.3314 12.3651 12.3651 14.2403 14.2403 14.3459 14.3459 14.4556 14.4556 16.1815 16.1815 16.6679 16.6679 k = 0.1667 0.0962 0.0680 ( 2571 PWs) bands (ev): -29.7145 -29.7145 -10.7732 -10.7732 -9.3563 -9.3563 -9.3472 -9.3472 -2.1696 -2.1696 -2.1690 -2.1690 -1.3262 -1.3262 -1.3256 -1.3256 -1.3211 -1.3211 4.2421 4.2421 8.9327 8.9327 8.9462 8.9462 8.9984 8.9984 9.2047 9.2047 9.2300 9.2300 9.6548 9.6548 9.6926 9.6926 9.8181 9.8181 9.9603 9.9603 9.9772 9.9772 11.0072 11.0072 12.3296 12.3296 12.3662 12.3662 14.2094 14.2094 14.3102 14.3102 14.4019 14.4019 16.3263 16.3263 16.7962 16.7962 k = 0.1786 0.1031 0.0729 ( 2577 PWs) bands (ev): -29.7144 -29.7144 -10.7739 -10.7739 -9.3579 -9.3579 -9.3476 -9.3476 -2.1691 -2.1691 -2.1683 -2.1683 -1.3257 -1.3257 -1.3250 -1.3250 -1.3199 -1.3199 4.2905 4.2905 8.9285 8.9285 8.9379 8.9379 8.9883 8.9883 9.2157 9.2157 9.2385 9.2385 9.6510 9.6510 9.6927 9.6927 9.8167 9.8167 9.9461 9.9461 9.9657 9.9657 10.8758 10.8758 12.3261 12.3261 12.3657 12.3657 14.1847 14.1847 14.2811 14.2811 14.3523 14.3523 16.4757 16.4757 16.9255 16.9255 k = 0.1905 0.1100 0.0778 ( 2577 PWs) bands (ev): -29.7143 -29.7143 -10.7747 -10.7747 -9.3595 -9.3595 -9.3480 -9.3480 -2.1684 -2.1684 -2.1676 -2.1676 -1.3252 -1.3252 -1.3244 -1.3244 -1.3187 -1.3187 4.3420 4.3420 8.9249 8.9249 8.9268 8.9268 8.9798 8.9798 9.2266 9.2266 9.2467 9.2467 9.6471 9.6471 9.6926 9.6926 9.8149 9.8149 9.9312 9.9312 9.9538 9.9538 10.7462 10.7462 12.3210 12.3210 12.3633 12.3633 14.1663 14.1663 14.2589 14.2589 14.3071 14.3071 16.6290 16.6290 17.0548 17.0548 k = 0.2024 0.1168 0.0826 ( 2577 PWs) bands (ev): -29.7142 -29.7142 -10.7755 -10.7755 -9.3612 -9.3612 -9.3485 -9.3485 -2.1677 -2.1677 -2.1669 -2.1669 -1.3247 -1.3247 -1.3238 -1.3238 -1.3175 -1.3175 4.3964 4.3964 8.9119 8.9119 8.9218 8.9218 8.9736 8.9736 9.2372 9.2372 9.2546 9.2546 9.6428 9.6428 9.6922 9.6922 9.8124 9.8124 9.9158 9.9158 9.9416 9.9416 10.6195 10.6195 12.3140 12.3140 12.3591 12.3591 14.1537 14.1537 14.2438 14.2438 14.2665 14.2665 16.7847 16.7847 17.1820 17.1820 k = 0.2143 0.1237 0.0875 ( 2574 PWs) bands (ev): -29.7142 -29.7142 -10.7763 -10.7763 -9.3629 -9.3629 -9.3489 -9.3489 -2.1671 -2.1671 -2.1660 -2.1660 -1.3241 -1.3241 -1.3231 -1.3231 -1.3162 -1.3162 4.4536 4.4536 8.8927 8.8927 8.9193 8.9193 8.9697 8.9697 9.2478 9.2478 9.2620 9.2620 9.6384 9.6384 9.6915 9.6915 9.8092 9.8092 9.8996 9.8996 9.9291 9.9291 10.4969 10.4969 12.3053 12.3053 12.3528 12.3528 14.1457 14.1457 14.2317 14.2317 14.2358 14.2358 16.9370 16.9370 17.2685 17.2685 k = 0.2262 0.1306 0.0923 ( 2575 PWs) bands (ev): -29.7141 -29.7141 -10.7771 -10.7771 -9.3647 -9.3647 -9.3494 -9.3494 -2.1664 -2.1664 -2.1653 -2.1653 -1.3236 -1.3236 -1.3225 -1.3225 -1.3149 -1.3149 4.5138 4.5138 8.8690 8.8690 8.9172 8.9172 8.9676 8.9676 9.2581 9.2581 9.2690 9.2690 9.6337 9.6337 9.6903 9.6903 9.8048 9.8048 9.8826 9.8826 9.9164 9.9164 10.3800 10.3800 12.2947 12.2947 12.3446 12.3446 14.1388 14.1388 14.2061 14.2061 14.2349 14.2349 17.0312 17.0312 17.2149 17.2149 k = 0.2381 0.1375 0.0972 ( 2575 PWs) bands (ev): -29.7140 -29.7140 -10.7779 -10.7779 -9.3665 -9.3665 -9.3498 -9.3498 -2.1657 -2.1657 -2.1645 -2.1645 -1.3230 -1.3230 -1.3218 -1.3218 -1.3136 -1.3136 4.5766 4.5766 8.8404 8.8404 8.9157 8.9157 8.9671 8.9671 9.2682 9.2682 9.2753 9.2753 9.6287 9.6287 9.6886 9.6886 9.7991 9.7991 9.8646 9.8646 9.9037 9.9037 10.2708 10.2708 12.2825 12.2825 12.3344 12.3344 14.1261 14.1261 14.1962 14.1962 14.2410 14.2410 16.9362 16.9362 17.3257 17.3257 k = 0.2500 0.1443 0.1021 ( 2569 PWs) bands (ev): -29.7139 -29.7139 -10.7787 -10.7787 -9.3683 -9.3683 -9.3503 -9.3503 -2.1650 -2.1650 -2.1636 -2.1636 -1.3224 -1.3224 -1.3211 -1.3211 -1.3122 -1.3122 4.6421 4.6421 8.8064 8.8064 8.9147 8.9147 8.9677 8.9677 9.2780 9.2780 9.2810 9.2810 9.6234 9.6234 9.6862 9.6862 9.7918 9.7918 9.8448 9.8448 9.8910 9.8910 10.1718 10.1718 12.2688 12.2688 12.3223 12.3223 14.1063 14.1063 14.2031 14.2031 14.2540 14.2540 16.7902 16.7902 17.4905 17.4905 k = 0.2619 0.1512 0.1069 ( 2569 PWs) bands (ev): -29.7138 -29.7138 -10.7796 -10.7796 -9.3700 -9.3700 -9.3508 -9.3508 -2.1643 -2.1643 -2.1628 -2.1628 -1.3218 -1.3218 -1.3204 -1.3204 -1.3109 -1.3109 4.7101 4.7101 8.7660 8.7660 8.9141 8.9141 8.9693 8.9693 9.2859 9.2859 9.2877 9.2877 9.6179 9.6179 9.6824 9.6824 9.7826 9.7826 9.8221 9.8221 9.8783 9.8783 10.0862 10.0862 12.2538 12.2538 12.3086 12.3086 14.0844 14.0844 14.2215 14.2215 14.2737 14.2737 16.6394 16.6394 17.6641 17.6641 k = 0.2738 0.1581 0.1118 ( 2557 PWs) bands (ev): -29.7137 -29.7137 -10.7804 -10.7804 -9.3718 -9.3718 -9.3512 -9.3512 -2.1635 -2.1635 -2.1619 -2.1619 -1.3212 -1.3212 -1.3196 -1.3196 -1.3095 -1.3095 4.7806 4.7806 8.7185 8.7185 8.9141 8.9141 8.9718 8.9718 9.2900 9.2900 9.2971 9.2971 9.6121 9.6121 9.6764 9.6764 9.7716 9.7716 9.7956 9.7956 9.8659 9.8659 10.0177 10.0177 12.2377 12.2377 12.2936 12.2936 14.0636 14.0636 14.2478 14.2478 14.2997 14.2997 16.4897 16.4897 17.8277 17.8277 k = 0.2857 0.1650 0.1166 ( 2557 PWs) bands (ev): -29.7136 -29.7136 -10.7812 -10.7812 -9.3735 -9.3735 -9.3517 -9.3517 -2.1628 -2.1628 -2.1611 -2.1611 -1.3206 -1.3206 -1.3190 -1.3190 -1.3082 -1.3082 4.8535 4.8535 8.6630 8.6630 8.9144 8.9144 8.9750 8.9750 9.2931 9.2931 9.3063 9.3063 9.6060 9.6060 9.6654 9.6654 9.7582 9.7582 9.7672 9.7672 9.8536 9.8536 9.9679 9.9679 12.2208 12.2208 12.2773 12.2773 14.0448 14.0448 14.2806 14.2806 14.3317 14.3317 16.3430 16.3430 17.8477 17.8477 k = 0.2976 0.1718 0.1215 ( 2551 PWs) bands (ev): -29.7136 -29.7136 -10.7820 -10.7820 -9.3752 -9.3752 -9.3521 -9.3521 -2.1621 -2.1621 -2.1603 -2.1603 -1.3200 -1.3200 -1.3183 -1.3183 -1.3069 -1.3069 4.9285 4.9285 8.5993 8.5993 8.9152 8.9152 8.9790 8.9790 9.2953 9.2953 9.3153 9.3153 9.5996 9.5996 9.6463 9.6463 9.7385 9.7385 9.7475 9.7475 9.8416 9.8416 9.9347 9.9347 12.2034 12.2034 12.2603 12.2603 14.0285 14.0285 14.3192 14.3192 14.3693 14.3693 16.2000 16.2000 17.7734 17.7734 k = 0.3095 0.1787 0.1264 ( 2557 PWs) bands (ev): -29.7135 -29.7135 -10.7827 -10.7827 -9.3769 -9.3769 -9.3526 -9.3526 -2.1614 -2.1614 -2.1596 -2.1596 -1.3195 -1.3195 -1.3177 -1.3177 -1.3057 -1.3057 5.0056 5.0056 8.5272 8.5272 8.9162 8.9162 8.9836 8.9836 9.2963 9.2963 9.3240 9.3240 9.5929 9.5929 9.6189 9.6189 9.7210 9.7210 9.7333 9.7333 9.8299 9.8299 9.9128 9.9128 12.1857 12.1857 12.2426 12.2426 14.0148 14.0148 14.3630 14.3630 14.4123 14.4123 16.0613 16.0613 17.6730 17.6730 k = 0.3214 0.1856 0.1312 ( 2557 PWs) bands (ev): -29.7134 -29.7134 -10.7835 -10.7835 -9.3786 -9.3786 -9.3530 -9.3530 -2.1608 -2.1608 -2.1588 -2.1588 -1.3190 -1.3190 -1.3171 -1.3171 -1.3045 -1.3045 5.0847 5.0847 8.4475 8.4475 8.9176 8.9176 8.9888 8.9888 9.2963 9.2963 9.3326 9.3326 9.5858 9.5858 9.5888 9.5888 9.7072 9.7072 9.7220 9.7220 9.8187 9.8187 9.8981 9.8981 12.1679 12.1679 12.2247 12.2247 14.0038 14.0038 14.4115 14.4115 14.4601 14.4601 15.9274 15.9274 17.5635 17.5635 k = 0.3333 0.1925 0.1361 ( 2545 PWs) bands (ev): -29.7133 -29.7133 -10.7842 -10.7842 -9.3801 -9.3801 -9.3534 -9.3534 -2.1601 -2.1601 -2.1580 -2.1580 -1.3184 -1.3184 -1.3164 -1.3164 -1.3032 -1.3032 5.1654 5.1654 8.3609 8.3609 8.9193 8.9193 8.9945 8.9945 9.2953 9.2953 9.3410 9.3410 9.5611 9.5611 9.5786 9.5786 9.6925 9.6925 9.7150 9.7150 9.8081 9.8081 9.8877 9.8877 12.1503 12.1503 12.2067 12.2067 13.9954 13.9954 14.4643 14.4643 14.5124 14.5124 15.7986 15.7986 17.4506 17.4506 k = 0.3452 0.1993 0.1409 ( 2551 PWs) bands (ev): -29.7132 -29.7132 -10.7849 -10.7849 -9.3816 -9.3816 -9.3538 -9.3538 -2.1596 -2.1596 -2.1574 -2.1574 -1.3180 -1.3180 -1.3158 -1.3158 -1.3021 -1.3021 5.2477 5.2477 8.2688 8.2688 8.9212 8.9212 9.0005 9.0005 9.2934 9.2934 9.3492 9.3492 9.5381 9.5381 9.5710 9.5710 9.6764 9.6764 9.7110 9.7110 9.7979 9.7979 9.8796 9.8796 12.1331 12.1331 12.1890 12.1890 13.9897 13.9897 14.5210 14.5210 14.5687 14.5687 15.6753 15.6753 17.3365 17.3365 k = 0.3571 0.2062 0.1458 ( 2551 PWs) bands (ev): -29.7132 -29.7132 -10.7856 -10.7856 -9.3830 -9.3830 -9.3541 -9.3541 -2.1590 -2.1590 -2.1567 -2.1567 -1.3175 -1.3175 -1.3153 -1.3153 -1.3010 -1.3010 5.3313 5.3313 8.1723 8.1723 8.9233 8.9233 9.0069 9.0069 9.2908 9.2908 9.3572 9.3572 9.5202 9.5202 9.5631 9.5631 9.6599 9.6599 9.7085 9.7085 9.7884 9.7884 9.8733 9.8733 12.1166 12.1166 12.1718 12.1718 13.9865 13.9865 14.5810 14.5810 14.6285 14.6285 15.5578 15.5578 17.2225 17.2225 k = 0.3690 0.2131 0.1507 ( 2551 PWs) bands (ev): -29.7131 -29.7131 -10.7862 -10.7862 -9.3843 -9.3843 -9.3545 -9.3545 -2.1585 -2.1585 -2.1561 -2.1561 -1.3171 -1.3171 -1.3147 -1.3147 -1.3000 -1.3000 5.4158 5.4158 8.0730 8.0730 8.9255 8.9255 9.0136 9.0136 9.2879 9.2879 9.3652 9.3652 9.5069 9.5069 9.5549 9.5549 9.6433 9.6433 9.7069 9.7069 9.7796 9.7796 9.8681 9.8681 12.1008 12.1008 12.1552 12.1552 13.9860 13.9860 14.6440 14.6440 14.6915 14.6915 15.4465 15.4465 17.1096 17.1096 k = 0.3810 0.2199 0.1555 ( 2551 PWs) bands (ev): -29.7130 -29.7130 -10.7868 -10.7868 -9.3856 -9.3856 -9.3548 -9.3548 -2.1580 -2.1580 -2.1555 -2.1555 -1.3167 -1.3167 -1.3142 -1.3142 -1.2991 -1.2991 5.5009 5.5009 7.9721 7.9721 8.9278 8.9278 9.0204 9.0204 9.2849 9.2849 9.3730 9.3730 9.4974 9.4974 9.5466 9.5466 9.6269 9.6269 9.7059 9.7059 9.7715 9.7715 9.8637 9.8637 12.0859 12.0859 12.1396 12.1396 13.9879 13.9879 14.7094 14.7094 14.7570 14.7570 15.3417 15.3417 16.9982 16.9982 k = 0.3929 0.2268 0.1604 ( 2548 PWs) bands (ev): -29.7130 -29.7130 -10.7873 -10.7873 -9.3867 -9.3867 -9.3551 -9.3551 -2.1575 -2.1575 -2.1549 -2.1549 -1.3163 -1.3163 -1.3137 -1.3137 -1.2982 -1.2982 5.5860 5.5860 7.8709 7.8709 8.9300 8.9300 9.0271 9.0271 9.2821 9.2821 9.3808 9.3808 9.4912 9.4912 9.5380 9.5380 9.6110 9.6110 9.7051 9.7051 9.7641 9.7641 9.8599 9.8599 12.0721 12.0721 12.1249 12.1249 13.9921 13.9921 14.7765 14.7765 14.8245 14.8245 15.2438 15.2438 16.8893 16.8893 k = 0.4048 0.2337 0.1652 ( 2554 PWs) bands (ev): -29.7129 -29.7129 -10.7878 -10.7878 -9.3878 -9.3878 -9.3554 -9.3554 -2.1571 -2.1571 -2.1545 -2.1545 -1.3160 -1.3160 -1.3134 -1.3134 -1.2974 -1.2974 5.6706 5.6706 7.7706 7.7706 8.9322 8.9322 9.0337 9.0337 9.2795 9.2795 9.3886 9.3886 9.4874 9.4874 9.5293 9.5293 9.5955 9.5955 9.7045 9.7045 9.7576 9.7576 9.8564 9.8564 12.0594 12.0594 12.1115 12.1115 13.9984 13.9984 14.8444 14.8444 14.8931 14.8931 15.1537 15.1537 16.7834 16.7834 k = 0.4167 0.2406 0.1701 ( 2554 PWs) bands (ev): -29.7129 -29.7129 -10.7883 -10.7883 -9.3887 -9.3887 -9.3557 -9.3557 -2.1568 -2.1568 -2.1540 -2.1540 -1.3157 -1.3157 -1.3130 -1.3130 -1.2967 -1.2967 5.7538 5.7538 7.6727 7.6727 8.9344 8.9344 9.0401 9.0401 9.2773 9.2773 9.3963 9.3963 9.4855 9.4855 9.5205 9.5205 9.5809 9.5809 9.7042 9.7042 9.7518 9.7518 9.8535 9.8535 12.0481 12.0481 12.0993 12.0993 14.0066 14.0066 14.9108 14.9108 14.9620 14.9620 15.0730 15.0730 16.6815 16.6815 k = 0.4286 0.2474 0.1750 ( 2560 PWs) bands (ev): -29.7129 -29.7129 -10.7887 -10.7887 -9.3895 -9.3895 -9.3559 -9.3559 -2.1565 -2.1565 -2.1537 -2.1537 -1.3154 -1.3154 -1.3127 -1.3127 -1.2961 -1.2961 5.8345 5.8345 7.5786 7.5786 8.9363 8.9363 9.0461 9.0461 9.2754 9.2754 9.4040 9.4040 9.4851 9.4851 9.5116 9.5116 9.5670 9.5670 9.7039 9.7039 9.7467 9.7467 9.8509 9.8509 12.0381 12.0381 12.0886 12.0886 14.0162 14.0162 14.9582 14.9582 15.0187 15.0187 15.0299 15.0299 16.5848 16.5848 k = 0.4405 0.2543 0.1798 ( 2554 PWs) bands (ev): -29.7128 -29.7128 -10.7890 -10.7890 -9.3902 -9.3902 -9.3560 -9.3560 -2.1562 -2.1562 -2.1533 -2.1533 -1.3151 -1.3151 -1.3124 -1.3124 -1.2956 -1.2956 5.9110 5.9110 7.4903 7.4903 8.9381 8.9381 9.0515 9.0515 9.2740 9.2740 9.4117 9.4117 9.4860 9.4860 9.5028 9.5028 9.5543 9.5543 9.7038 9.7038 9.7425 9.7425 9.8488 9.8488 12.0295 12.0295 12.0794 12.0794 14.0267 14.0267 14.9189 14.9189 15.0578 15.0578 15.0953 15.0953 16.4948 16.4948 k = 0.4524 0.2612 0.1847 ( 2548 PWs) bands (ev): -29.7128 -29.7128 -10.7893 -10.7893 -9.3908 -9.3908 -9.3562 -9.3562 -2.1559 -2.1559 -2.1530 -2.1530 -1.3149 -1.3149 -1.3121 -1.3121 -1.2951 -1.2951 5.9811 5.9811 7.4102 7.4102 8.9397 8.9397 9.0562 9.0562 9.2729 9.2729 9.4194 9.4194 9.4879 9.4879 9.4941 9.4941 9.5427 9.5427 9.7037 9.7037 9.7391 9.7391 9.8470 9.8470 12.0224 12.0224 12.0717 12.0717 14.0373 14.0373 14.8655 14.8655 15.1163 15.1163 15.1561 15.1561 16.4136 16.4136 k = 0.4643 0.2681 0.1895 ( 2536 PWs) bands (ev): -29.7128 -29.7128 -10.7895 -10.7895 -9.3912 -9.3912 -9.3563 -9.3563 -2.1557 -2.1557 -2.1527 -2.1527 -1.3148 -1.3148 -1.3118 -1.3118 -1.2946 -1.2946 6.0421 6.0421 7.3414 7.3414 8.9409 8.9409 9.0600 9.0600 9.2722 9.2722 9.4269 9.4269 9.4858 9.4858 9.4908 9.4908 9.5324 9.5324 9.7037 9.7037 9.7365 9.7365 9.8457 9.8457 12.0169 12.0169 12.0657 12.0657 14.0472 14.0472 14.8209 14.8209 15.1696 15.1696 15.2093 15.2093 16.3440 16.3440 k = 0.4762 0.2749 0.1944 ( 2533 PWs) bands (ev): -29.7127 -29.7127 -10.7896 -10.7896 -9.3915 -9.3915 -9.3564 -9.3564 -2.1555 -2.1555 -2.1525 -2.1525 -1.3146 -1.3146 -1.3117 -1.3117 -1.2944 -1.2944 6.0901 6.0901 7.2877 7.2877 8.9418 8.9418 9.0628 9.0628 9.2717 9.2717 9.4340 9.4340 9.4781 9.4781 9.4944 9.4944 9.5234 9.5234 9.7037 9.7037 9.7347 9.7347 9.8447 9.8447 12.0129 12.0129 12.0614 12.0614 14.0553 14.0553 14.7876 14.7876 15.2125 15.2125 15.2515 15.2515 16.2898 16.2898 k = 0.4881 0.2818 0.1993 ( 2536 PWs) bands (ev): -29.7127 -29.7127 -10.7897 -10.7897 -9.3917 -9.3917 -9.3564 -9.3564 -2.1555 -2.1555 -2.1524 -2.1524 -1.3146 -1.3146 -1.3116 -1.3116 -1.2942 -1.2942 6.1212 6.1212 7.2531 7.2531 8.9424 8.9424 9.0646 9.0646 9.2714 9.2714 9.4398 9.4398 9.4719 9.4719 9.4984 9.4984 9.5161 9.5161 9.7037 9.7037 9.7335 9.7335 9.8441 9.8441 12.0105 12.0105 12.0588 12.0588 14.0606 14.0606 14.7670 14.7670 15.2406 15.2406 15.2789 15.2789 16.2549 16.2549 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): -29.7127 -29.7127 -10.7897 -10.7897 -9.3918 -9.3918 -9.3565 -9.3565 -2.1554 -2.1554 -2.1524 -2.1524 -1.3146 -1.3146 -1.3116 -1.3116 -1.2942 -1.2942 6.1320 6.1320 7.2411 7.2411 8.9426 8.9426 9.0652 9.0652 9.2713 9.2713 9.4423 9.4423 9.4692 9.4692 9.5007 9.5007 9.5126 9.5126 9.7036 9.7036 9.7331 9.7331 9.8438 9.8438 12.0097 12.0097 12.0579 12.0579 14.0625 14.0625 14.7601 14.7601 15.2505 15.2505 15.2885 15.2885 16.2428 16.2428 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): -29.7127 -29.7127 -10.7897 -10.7897 -9.3918 -9.3918 -9.3565 -9.3565 -2.1554 -2.1554 -2.1524 -2.1524 -1.3146 -1.3146 -1.3116 -1.3116 -1.2942 -1.2942 6.1320 6.1320 7.2411 7.2411 8.9426 8.9426 9.0652 9.0652 9.2713 9.2713 9.4423 9.4423 9.4692 9.4692 9.5007 9.5007 9.5126 9.5126 9.7036 9.7036 9.7331 9.7331 9.8438 9.8438 12.0097 12.0097 12.0579 12.0579 14.0625 14.0625 14.7601 14.7601 15.2505 15.2505 15.2885 15.2885 16.2428 16.2428 k = 0.5042 0.2766 0.2109 ( 2536 PWs) bands (ev): -29.7127 -29.7127 -10.7898 -10.7898 -9.3918 -9.3918 -9.3565 -9.3565 -2.1555 -2.1555 -2.1524 -2.1524 -1.3146 -1.3146 -1.3116 -1.3116 -1.2942 -1.2942 6.1324 6.1324 7.2429 7.2429 8.9424 8.9424 9.0648 9.0648 9.2712 9.2712 9.4417 9.4417 9.4676 9.4676 9.5014 9.5014 9.5145 9.5145 9.7038 9.7038 9.7331 9.7331 9.8440 9.8440 12.0056 12.0056 12.0540 12.0540 14.0722 14.0722 14.7543 14.7543 15.2483 15.2483 15.2860 15.2860 16.2466 16.2466 k = 0.5083 0.2646 0.2177 ( 2530 PWs) bands (ev): -29.7127 -29.7127 -10.7898 -10.7898 -9.3917 -9.3917 -9.3566 -9.3566 -2.1554 -2.1554 -2.1524 -2.1524 -1.3145 -1.3145 -1.3116 -1.3116 -1.2943 -1.2943 6.1338 6.1338 7.2480 7.2480 8.9421 8.9421 9.0637 9.0637 9.2710 9.2710 9.4402 9.4402 9.4633 9.4633 9.5035 9.5035 9.5192 9.5192 9.7043 9.7043 9.7331 9.7331 9.8444 9.8444 11.9903 11.9903 12.0459 12.0459 14.1007 14.1007 14.7368 14.7368 15.2422 15.2422 15.2792 15.2792 16.2573 16.2573 k = 0.5125 0.2526 0.2245 ( 2530 PWs) bands (ev): -29.7127 -29.7127 -10.7898 -10.7898 -9.3917 -9.3917 -9.3568 -9.3568 -2.1555 -2.1555 -2.1525 -2.1525 -1.3145 -1.3145 -1.3116 -1.3116 -1.2945 -1.2945 6.1360 6.1360 7.2567 7.2567 8.9412 8.9412 9.0619 9.0619 9.2707 9.2707 9.4376 9.4376 9.4578 9.4578 9.5067 9.5067 9.5256 9.5256 9.7051 9.7051 9.7332 9.7332 9.8452 9.8452 11.9594 11.9594 12.0392 12.0392 14.1458 14.1458 14.7077 14.7077 15.2324 15.2324 15.2705 15.2705 16.2734 16.2734 k = 0.5167 0.2406 0.2313 ( 2535 PWs) bands (ev): -29.7127 -29.7127 -10.7899 -10.7899 -9.3916 -9.3916 -9.3570 -9.3570 -2.1556 -2.1556 -2.1526 -2.1526 -1.3145 -1.3145 -1.3116 -1.3116 -1.2947 -1.2947 6.1391 6.1391 7.2687 7.2687 8.9396 8.9396 9.0598 9.0598 9.2702 9.2702 9.4341 9.4341 9.4521 9.4521 9.5108 9.5108 9.5327 9.5327 9.7061 9.7061 9.7332 9.7332 9.8462 9.8462 11.9139 11.9139 12.0350 12.0350 14.2041 14.2041 14.6681 14.6681 15.2182 15.2182 15.2639 15.2639 16.2929 16.2929 k = 0.5208 0.2285 0.2381 ( 2539 PWs) bands (ev): -29.7127 -29.7127 -10.7899 -10.7899 -9.3915 -9.3915 -9.3573 -9.3573 -2.1556 -2.1556 -2.1528 -2.1528 -1.3145 -1.3145 -1.3117 -1.3117 -1.2950 -1.2950 6.1431 6.1431 7.2840 7.2840 8.9368 8.9368 9.0577 9.0577 9.2697 9.2697 9.4298 9.4298 9.4467 9.4467 9.5155 9.5155 9.5400 9.5400 9.7073 9.7073 9.7334 9.7334 9.8475 9.8475 11.8573 11.8573 12.0320 12.0320 14.2698 14.2698 14.6215 14.6215 15.1991 15.1991 15.2634 15.2634 16.3141 16.3141 k = 0.5250 0.2165 0.2449 ( 2540 PWs) bands (ev): -29.7127 -29.7127 -10.7900 -10.7900 -9.3913 -9.3913 -9.3577 -9.3577 -2.1557 -2.1557 -2.1529 -2.1529 -1.3145 -1.3145 -1.3117 -1.3117 -1.2954 -1.2954 6.1480 6.1480 7.3027 7.3027 8.9323 8.9323 9.0560 9.0560 9.2691 9.2691 9.4248 9.4248 9.4423 9.4423 9.5206 9.5206 9.5474 9.5474 9.7087 9.7087 9.7339 9.7339 9.8492 9.8492 11.7925 11.7925 12.0293 12.0293 14.3297 14.3297 14.5794 14.5794 15.1758 15.1758 15.2710 15.2710 16.3355 16.3355 k = 0.5292 0.2045 0.2518 ( 2539 PWs) bands (ev): -29.7127 -29.7127 -10.7901 -10.7901 -9.3912 -9.3912 -9.3581 -9.3581 -2.1558 -2.1558 -2.1531 -2.1531 -1.3145 -1.3145 -1.3117 -1.3117 -1.2957 -1.2957 6.1538 6.1538 7.3245 7.3245 8.9256 8.9256 9.0552 9.0552 9.2686 9.2686 9.4192 9.4192 9.4389 9.4389 9.5260 9.5260 9.5546 9.5546 9.7102 9.7102 9.7348 9.7348 9.8512 9.8512 11.7219 11.7219 12.0266 12.0266 14.3500 14.3500 14.5737 14.5737 15.1496 15.1496 15.2878 15.2878 16.3560 16.3560 k = 0.5333 0.1925 0.2586 ( 2541 PWs) bands (ev): -29.7126 -29.7126 -10.7902 -10.7902 -9.3910 -9.3910 -9.3586 -9.3586 -2.1559 -2.1559 -2.1533 -2.1533 -1.3146 -1.3146 -1.3118 -1.3118 -1.2962 -1.2962 6.1604 6.1604 7.3495 7.3495 8.9162 8.9162 9.0558 9.0558 9.2679 9.2679 9.4134 9.4134 9.4364 9.4364 9.5315 9.5315 9.5615 9.5615 9.7117 9.7117 9.7363 9.7363 9.8536 9.8536 11.6472 11.6472 12.0236 12.0236 14.3083 14.3083 14.6253 14.6253 15.1218 15.1218 15.3151 15.3151 16.3750 16.3750 k = 0.5375 0.1804 0.2654 ( 2545 PWs) bands (ev): -29.7126 -29.7126 -10.7903 -10.7903 -9.3908 -9.3908 -9.3591 -9.3591 -2.1561 -2.1561 -2.1535 -2.1535 -1.3147 -1.3147 -1.3117 -1.3117 -1.2966 -1.2966 6.1678 6.1678 7.3776 7.3776 8.9037 8.9037 9.0580 9.0580 9.2673 9.2673 9.4075 9.4075 9.4347 9.4347 9.5369 9.5369 9.5682 9.5682 9.7131 9.7131 9.7382 9.7382 9.8563 9.8563 11.5700 11.5700 12.0204 12.0204 14.2336 14.2336 14.7029 14.7029 15.0933 15.0933 15.3548 15.3548 16.3917 16.3917 k = 0.5417 0.1684 0.2722 ( 2545 PWs) bands (ev): -29.7126 -29.7126 -10.7904 -10.7904 -9.3905 -9.3905 -9.3597 -9.3597 -2.1562 -2.1562 -2.1537 -2.1537 -1.3149 -1.3149 -1.3117 -1.3117 -1.2971 -1.2971 6.1760 6.1760 7.4085 7.4085 8.8882 8.8882 9.0618 9.0618 9.2666 9.2666 9.4018 9.4018 9.4338 9.4338 9.5420 9.5420 9.5746 9.5746 9.7144 9.7144 9.7409 9.7409 9.8595 9.8595 11.4912 11.4912 12.0167 12.0167 14.1459 14.1459 14.7840 14.7840 15.0650 15.0650 15.4091 15.4091 16.4056 16.4056 k = 0.5458 0.1564 0.2790 ( 2547 PWs) bands (ev): -29.7126 -29.7126 -10.7906 -10.7906 -9.3903 -9.3903 -9.3603 -9.3603 -2.1563 -2.1563 -2.1540 -2.1540 -1.3150 -1.3150 -1.3116 -1.3116 -1.2976 -1.2976 6.1851 6.1851 7.4422 7.4422 8.8697 8.8697 9.0672 9.0672 9.2658 9.2658 9.3962 9.3962 9.4337 9.4337 9.5467 9.5467 9.5809 9.5809 9.7156 9.7156 9.7442 9.7442 9.8631 9.8631 11.4119 11.4119 12.0126 12.0126 14.0519 14.0519 14.8594 14.8594 15.0379 15.0379 15.4802 15.4802 16.4163 16.4163 k = 0.5500 0.1443 0.2858 ( 2553 PWs) bands (ev): -29.7126 -29.7126 -10.7907 -10.7907 -9.3900 -9.3900 -9.3610 -9.3610 -2.1565 -2.1565 -2.1543 -2.1543 -1.3153 -1.3153 -1.3116 -1.3116 -1.2982 -1.2982 6.1949 6.1949 7.4786 7.4786 8.8484 8.8484 9.0739 9.0739 9.2649 9.2649 9.3908 9.3908 9.4345 9.4345 9.5508 9.5508 9.5870 9.5870 9.7169 9.7169 9.7480 9.7480 9.8671 9.8671 11.3328 11.3328 12.0081 12.0081 13.9546 13.9546 14.9236 14.9236 15.0139 15.0139 15.5687 15.5687 16.4232 16.4232 k = 0.5542 0.1323 0.2926 ( 2550 PWs) bands (ev): -29.7125 -29.7125 -10.7909 -10.7909 -9.3898 -9.3898 -9.3617 -9.3617 -2.1567 -2.1567 -2.1546 -2.1546 -1.3155 -1.3155 -1.3115 -1.3115 -1.2987 -1.2987 6.2054 6.2054 7.5174 7.5174 8.8247 8.8247 9.0818 9.0818 9.2640 9.2640 9.3856 9.3856 9.4361 9.4361 9.5543 9.5543 9.5932 9.5932 9.7186 9.7186 9.7522 9.7522 9.8716 9.8716 11.2545 11.2545 12.0030 12.0030 13.8558 13.8558 14.9615 14.9615 15.0081 15.0081 15.6733 15.6733 16.4260 16.4260 k = 0.5583 0.1203 0.2994 ( 2557 PWs) bands (ev): -29.7125 -29.7125 -10.7910 -10.7910 -9.3895 -9.3895 -9.3624 -9.3624 -2.1569 -2.1569 -2.1549 -2.1549 -1.3158 -1.3158 -1.3114 -1.3114 -1.2992 -1.2992 6.2165 6.2165 7.5584 7.5584 8.7985 8.7985 9.0906 9.0906 9.2629 9.2629 9.3806 9.3806 9.4384 9.4384 9.5572 9.5572 9.5994 9.5994 9.7204 9.7204 9.7566 9.7566 9.8765 9.8765 11.1774 11.1774 11.9973 11.9973 13.7566 13.7566 14.9517 14.9517 15.0434 15.0434 15.7913 15.7913 16.4244 16.4244 k = 0.5625 0.1083 0.3062 ( 2555 PWs) bands (ev): -29.7125 -29.7125 -10.7912 -10.7912 -9.3892 -9.3892 -9.3631 -9.3631 -2.1570 -2.1570 -2.1551 -2.1551 -1.3161 -1.3161 -1.3114 -1.3114 -1.2996 -1.2996 6.2283 6.2283 7.6014 7.6014 8.7703 8.7703 9.1003 9.1003 9.2619 9.2619 9.3758 9.3758 9.4414 9.4414 9.5594 9.5594 9.6056 9.6056 9.7229 9.7229 9.7611 9.7611 9.8819 9.8819 11.1020 11.1020 11.9911 11.9911 13.6581 13.6581 14.9327 14.9327 15.0835 15.0835 15.9195 15.9195 16.4181 16.4181 k = 0.5667 0.0962 0.3130 ( 2564 PWs) bands (ev): -29.7124 -29.7124 -10.7913 -10.7913 -9.3889 -9.3889 -9.3638 -9.3638 -2.1573 -2.1573 -2.1555 -2.1555 -1.3164 -1.3164 -1.3114 -1.3114 -1.3001 -1.3001 6.2406 6.2406 7.6462 7.6462 8.7402 8.7402 9.1107 9.1107 9.2608 9.2608 9.3711 9.3711 9.4450 9.4450 9.5611 9.5611 9.6118 9.6118 9.7258 9.7258 9.7656 9.7656 9.8877 9.8877 11.0285 11.0285 11.9843 11.9843 13.5610 13.5610 14.9146 14.9146 15.1207 15.1207 16.0548 16.0548 16.4066 16.4066 k = 0.5708 0.0842 0.3198 ( 2558 PWs) bands (ev): -29.7124 -29.7124 -10.7915 -10.7915 -9.3886 -9.3886 -9.3645 -9.3645 -2.1574 -2.1574 -2.1558 -2.1558 -1.3167 -1.3167 -1.3114 -1.3114 -1.3005 -1.3005 6.2533 6.2533 7.6925 7.6925 8.7085 8.7085 9.1215 9.1215 9.2599 9.2599 9.3667 9.3667 9.4493 9.4493 9.5623 9.5623 9.6183 9.6183 9.7295 9.7295 9.7700 9.7700 9.8938 9.8938 10.9574 10.9574 11.9769 11.9769 13.4658 13.4658 14.8988 14.8988 15.1551 15.1551 16.1941 16.1941 16.3897 16.3897 k = 0.5750 0.0722 0.3266 ( 2556 PWs) bands (ev): -29.7124 -29.7124 -10.7917 -10.7917 -9.3884 -9.3884 -9.3652 -9.3652 -2.1576 -2.1576 -2.1560 -2.1560 -1.3170 -1.3170 -1.3114 -1.3114 -1.3008 -1.3008 6.2664 6.2664 7.7398 7.7398 8.6754 8.6754 9.1326 9.1326 9.2591 9.2591 9.3625 9.3625 9.4538 9.4538 9.5632 9.5632 9.6249 9.6249 9.7338 9.7338 9.7743 9.7743 9.9003 9.9003 10.8889 10.8889 11.9689 11.9689 13.3731 13.3731 14.8858 14.8858 15.1875 15.1875 16.3281 16.3281 16.3736 16.3736 k = 0.5792 0.0601 0.3334 ( 2558 PWs) bands (ev): -29.7123 -29.7123 -10.7918 -10.7918 -9.3881 -9.3881 -9.3659 -9.3659 -2.1579 -2.1579 -2.1563 -2.1563 -1.3174 -1.3174 -1.3116 -1.3116 -1.3010 -1.3010 6.2797 6.2797 7.7879 7.7879 8.6413 8.6413 9.1437 9.1437 9.2585 9.2585 9.3585 9.3585 9.4585 9.4585 9.5638 9.5638 9.6319 9.6319 9.7387 9.7387 9.7783 9.7783 9.9069 9.9069 10.8233 10.8233 11.9603 11.9603 13.2834 13.2834 14.8757 14.8757 15.2184 15.2184 16.3296 16.3296 16.3871 16.3871 k = 0.5833 0.0481 0.3402 ( 2555 PWs) bands (ev): -29.7123 -29.7123 -10.7920 -10.7920 -9.3879 -9.3879 -9.3666 -9.3666 -2.1581 -2.1581 -2.1566 -2.1566 -1.3178 -1.3178 -1.3117 -1.3117 -1.3012 -1.3012 6.2930 6.2930 7.8363 7.8363 8.6065 8.6065 9.1547 9.1547 9.2583 9.2583 9.3548 9.3548 9.4633 9.4633 9.5643 9.5643 9.6395 9.6395 9.7443 9.7443 9.7821 9.7821 9.9135 9.9135 10.7611 10.7611 11.9510 11.9510 13.1969 13.1969 14.8689 14.8689 15.2483 15.2483 16.2933 16.2933 16.3579 16.3579 k = 0.5875 0.0361 0.3470 ( 2555 PWs) bands (ev): -29.7123 -29.7123 -10.7921 -10.7921 -9.3876 -9.3876 -9.3672 -9.3672 -2.1584 -2.1584 -2.1568 -2.1568 -1.3182 -1.3182 -1.3119 -1.3119 -1.3013 -1.3013 6.3063 6.3063 7.8845 7.8845 8.5714 8.5714 9.1652 9.1652 9.2587 9.2587 9.3514 9.3514 9.4678 9.4678 9.5647 9.5647 9.6477 9.6477 9.7503 9.7503 9.7857 9.7857 9.9200 9.9200 10.7025 10.7025 11.9411 11.9411 13.1140 13.1140 14.8654 14.8654 15.2773 15.2773 16.2513 16.2513 16.3270 16.3270 k = 0.5917 0.0241 0.3538 ( 2559 PWs) bands (ev): -29.7123 -29.7123 -10.7923 -10.7923 -9.3875 -9.3875 -9.3678 -9.3678 -2.1587 -2.1587 -2.1570 -2.1570 -1.3187 -1.3187 -1.3122 -1.3122 -1.3013 -1.3013 6.3193 6.3193 7.9317 7.9317 8.5365 8.5365 9.1751 9.1751 9.2597 9.2597 9.3485 9.3485 9.4719 9.4719 9.5651 9.5651 9.6569 9.6569 9.7567 9.7567 9.7891 9.7891 9.9261 9.9261 10.6479 10.6479 11.9307 11.9307 13.0350 13.0350 14.8652 14.8652 15.3054 15.3054 16.2058 16.2058 16.2941 16.2941 k = 0.5958 0.0120 0.3606 ( 2561 PWs) bands (ev): -29.7122 -29.7122 -10.7924 -10.7924 -9.3873 -9.3873 -9.3683 -9.3683 -2.1591 -2.1591 -2.1571 -2.1571 -1.3191 -1.3191 -1.3125 -1.3125 -1.3013 -1.3013 6.3317 6.3317 7.9770 7.9770 8.5026 8.5026 9.1840 9.1840 9.2615 9.2615 9.3461 9.3461 9.4753 9.4753 9.5656 9.5656 9.6672 9.6672 9.7634 9.7634 9.7927 9.7927 9.9315 9.9315 10.5981 10.5981 11.9197 11.9197 12.9601 12.9601 14.8686 14.8686 15.3326 15.3326 16.1582 16.1582 16.2591 16.2591 k = 0.6000-0.0000 0.3674 ( 2559 PWs) bands (ev): -29.7122 -29.7122 -10.7925 -10.7925 -9.3872 -9.3872 -9.3687 -9.3687 -2.1594 -2.1594 -2.1572 -2.1572 -1.3196 -1.3196 -1.3127 -1.3127 -1.3012 -1.3012 6.3434 6.3434 8.0194 8.0194 8.4709 8.4709 9.1917 9.1917 9.2642 9.2642 9.3445 9.3445 9.4780 9.4780 9.5663 9.5663 9.6786 9.6786 9.7702 9.7702 9.7966 9.7966 9.9362 9.9362 10.5533 10.5533 11.9081 11.9081 12.8893 12.8893 14.8754 14.8754 15.3584 15.3584 16.1096 16.1096 16.2221 16.2221 k = 0.6042-0.0120 0.3742 ( 2557 PWs) bands (ev): -29.7122 -29.7122 -10.7926 -10.7926 -9.3871 -9.3871 -9.3690 -9.3690 -2.1598 -2.1598 -2.1573 -2.1573 -1.3200 -1.3200 -1.3130 -1.3130 -1.3010 -1.3010 6.3541 6.3541 8.0569 8.0569 8.4429 8.4429 9.1980 9.1980 9.2677 9.2677 9.3437 9.3437 9.4799 9.4799 9.5671 9.5671 9.6909 9.6909 9.7770 9.7770 9.8010 9.8010 9.9398 9.9398 10.5143 10.5143 11.8960 11.8960 12.8229 12.8229 14.8857 14.8857 15.3826 15.3826 16.0612 16.0612 16.1833 16.1833 k = 0.6083-0.0241 0.3810 ( 2566 PWs) bands (ev): -29.7122 -29.7122 -10.7927 -10.7927 -9.3871 -9.3871 -9.3693 -9.3693 -2.1602 -2.1602 -2.1574 -2.1574 -1.3206 -1.3206 -1.3133 -1.3133 -1.3009 -1.3009 6.3633 6.3633 8.0873 8.0873 8.4211 8.4211 9.2029 9.2029 9.2718 9.2718 9.3439 9.3439 9.4809 9.4809 9.5679 9.5679 9.7036 9.7036 9.7838 9.7838 9.8060 9.8060 9.9426 9.9426 10.4816 10.4816 11.8835 11.8835 12.7607 12.7607 14.8994 14.8994 15.4044 15.4044 16.0145 16.0145 16.1429 16.1429 k = 0.6125-0.0361 0.3878 ( 2560 PWs) bands (ev): -29.7121 -29.7121 -10.7928 -10.7928 -9.3871 -9.3871 -9.3695 -9.3695 -2.1606 -2.1606 -2.1574 -2.1574 -1.3211 -1.3211 -1.3135 -1.3135 -1.3007 -1.3007 6.3708 6.3708 8.1075 8.1075 8.4086 8.4086 9.2066 9.2066 9.2762 9.2762 9.3454 9.3454 9.4810 9.4810 9.5688 9.5688 9.7160 9.7160 9.7910 9.7910 9.8119 9.8119 9.9448 9.9448 10.4558 10.4558 11.8705 11.8705 12.7030 12.7030 14.9166 14.9166 15.4228 15.4228 15.9710 15.9710 16.1014 16.1014 k = 0.6167-0.0481 0.3946 ( 2564 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3871 -9.3871 -9.3696 -9.3696 -2.1611 -2.1611 -2.1574 -2.1574 -1.3217 -1.3217 -1.3137 -1.3137 -1.3006 -1.3006 6.3762 6.3762 8.1152 8.1152 8.4076 8.4076 9.2093 9.2093 9.2803 9.2803 9.3481 9.3481 9.4804 9.4804 9.5694 9.5694 9.7267 9.7267 9.7985 9.7985 9.8187 9.8187 9.9475 9.9475 10.4370 10.4370 11.8572 11.8572 12.6495 12.6495 14.9371 14.9371 15.4364 15.4364 15.9327 15.9327 16.0589 16.0589 k = 0.6208-0.0601 0.4014 ( 2570 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3872 -9.3872 -9.3696 -9.3696 -2.1616 -2.1616 -2.1574 -2.1574 -1.3223 -1.3223 -1.3139 -1.3139 -1.3005 -1.3005 6.3790 6.3790 8.1107 8.1107 8.4183 8.4183 9.2112 9.2112 9.2840 9.2840 9.3520 9.3520 9.4792 9.4792 9.5698 9.5698 9.7347 9.7347 9.8055 9.8055 9.8265 9.8265 9.9524 9.9524 10.4254 10.4254 11.8435 11.8435 12.6002 12.6002 14.9607 14.9607 15.4436 15.4436 15.9017 15.9017 16.0159 16.0159 k = 0.6250-0.0722 0.4082 ( 2574 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3873 -9.3873 -9.3695 -9.3695 -2.1620 -2.1620 -2.1574 -2.1574 -1.3229 -1.3229 -1.3140 -1.3140 -1.3004 -1.3004 6.3788 6.3788 8.0968 8.0968 8.4379 8.4379 9.2127 9.2127 9.2874 9.2874 9.3567 9.3567 9.4776 9.4776 9.5699 9.5699 9.7397 9.7397 9.8104 9.8104 9.8357 9.8357 9.9618 9.9618 10.4207 10.4207 11.8295 11.8295 12.5550 12.5550 14.9875 14.9875 15.4431 15.4431 15.8800 15.8800 15.9729 15.9729 k = 0.6250-0.0722 0.4082 ( 2574 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3873 -9.3873 -9.3695 -9.3695 -2.1620 -2.1620 -2.1574 -2.1574 -1.3229 -1.3229 -1.3140 -1.3140 -1.3004 -1.3004 6.3788 6.3788 8.0968 8.0968 8.4379 8.4379 9.2127 9.2127 9.2874 9.2874 9.3567 9.3567 9.4776 9.4776 9.5699 9.5699 9.7397 9.7397 9.8104 9.8104 9.8357 9.8357 9.9618 9.9618 10.4207 10.4207 11.8295 11.8295 12.5550 12.5550 14.9875 14.9875 15.4431 15.4431 15.8800 15.8800 15.9729 15.9729 k = 0.6176-0.0679 0.4203 ( 2564 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3873 -9.3873 -9.3695 -9.3695 -2.1619 -2.1619 -2.1574 -2.1574 -1.3229 -1.3229 -1.3139 -1.3139 -1.3003 -1.3003 6.3792 6.3792 8.0974 8.0974 8.4375 8.4375 9.2128 9.2128 9.2876 9.2876 9.3580 9.3580 9.4779 9.4779 9.5701 9.5701 9.7393 9.7393 9.8077 9.8077 9.8372 9.8372 9.9638 9.9638 10.4209 10.4209 11.8072 11.8072 12.5771 12.5771 14.9825 14.9825 15.4443 15.4443 15.8443 15.8443 16.0097 16.0097 k = 0.6103-0.0637 0.4323 ( 2566 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3873 -9.3873 -9.3696 -9.3696 -2.1619 -2.1619 -2.1574 -2.1574 -1.3229 -1.3229 -1.3138 -1.3138 -1.3004 -1.3004 6.3804 6.3804 8.0991 8.0991 8.4362 8.4362 9.2128 9.2128 9.2883 9.2883 9.3617 9.3617 9.4789 9.4789 9.5704 9.5704 9.7378 9.7378 9.8012 9.8012 9.8404 9.8404 9.9696 9.9696 10.4213 10.4213 11.7470 11.7470 12.6366 12.6366 14.9676 14.9676 15.4479 15.4479 15.7847 15.7847 16.0725 16.0725 k = 0.6029-0.0594 0.4443 ( 2560 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3872 -9.3872 -9.3698 -9.3698 -2.1618 -2.1618 -2.1574 -2.1574 -1.3230 -1.3230 -1.3135 -1.3135 -1.3005 -1.3005 6.3824 6.3824 8.1020 8.1020 8.4340 8.4340 9.2130 9.2130 9.2895 9.2895 9.3675 9.3675 9.4807 9.4807 9.5711 9.5711 9.7351 9.7351 9.7936 9.7936 9.8437 9.8437 9.9786 9.9786 10.4220 10.4220 11.6623 11.6623 12.7204 12.7204 14.9437 14.9437 15.4531 15.4531 15.7233 15.7233 16.1387 16.1387 k = 0.5956-0.0552 0.4563 ( 2559 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3870 -9.3870 -9.3700 -9.3700 -2.1618 -2.1618 -2.1574 -2.1574 -1.3231 -1.3231 -1.3132 -1.3132 -1.3006 -1.3006 6.3851 6.3851 8.1061 8.1061 8.4309 8.4309 9.2132 9.2132 9.2913 9.2913 9.3746 9.3746 9.4835 9.4835 9.5721 9.5721 9.7306 9.7306 9.7863 9.7863 9.8468 9.8468 9.9901 9.9901 10.4229 10.4229 11.5635 11.5635 12.8179 12.8179 14.9118 14.9118 15.4591 15.4591 15.6635 15.6635 16.2046 16.2046 k = 0.5882-0.0509 0.4683 ( 2557 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3869 -9.3869 -9.3702 -9.3702 -2.1617 -2.1617 -2.1575 -2.1575 -1.3231 -1.3231 -1.3129 -1.3129 -1.3008 -1.3008 6.3886 6.3886 8.1114 8.1114 8.4269 8.4269 9.2135 9.2135 9.2939 9.2939 9.3824 9.3824 9.4879 9.4879 9.5733 9.5733 9.7242 9.7242 9.7804 9.7804 9.8498 9.8498 10.0032 10.0032 10.4241 10.4241 11.4572 11.4572 12.9227 12.9227 14.8728 14.8728 15.4650 15.4650 15.6067 15.6067 16.2684 16.2684 k = 0.5809-0.0467 0.4803 ( 2557 PWs) bands (ev): -29.7121 -29.7121 -10.7931 -10.7931 -9.3867 -9.3867 -9.3705 -9.3705 -2.1616 -2.1616 -2.1575 -2.1575 -1.3232 -1.3232 -1.3125 -1.3125 -1.3011 -1.3011 6.3926 6.3926 8.1179 8.1179 8.4218 8.4218 9.2139 9.2139 9.2973 9.2973 9.3898 9.3898 9.4941 9.4941 9.5749 9.5749 9.7158 9.7158 9.7764 9.7764 9.8531 9.8531 10.0174 10.0174 10.4255 10.4255 11.3474 11.3474 13.0310 13.0310 14.8279 14.8279 15.4698 15.4698 15.5537 15.5537 16.3287 16.3287 k = 0.5735-0.0425 0.4923 ( 2553 PWs) bands (ev): -29.7121 -29.7121 -10.7931 -10.7931 -9.3864 -9.3864 -9.3709 -9.3709 -2.1614 -2.1614 -2.1576 -2.1576 -1.3233 -1.3233 -1.3120 -1.3120 -1.3013 -1.3013 6.3973 6.3973 8.1256 8.1256 8.4157 8.4157 9.2143 9.2143 9.3014 9.3014 9.3959 9.3959 9.5025 9.5025 9.5770 9.5770 9.7062 9.7062 9.7742 9.7742 9.8570 9.8570 10.0323 10.0323 10.4272 10.4272 11.2366 11.2366 13.1405 13.1405 14.7778 14.7778 15.4703 15.4703 15.5078 15.5078 16.3845 16.3845 k = 0.5662-0.0382 0.5043 ( 2551 PWs) bands (ev): -29.7121 -29.7121 -10.7931 -10.7931 -9.3862 -9.3862 -9.3712 -9.3712 -2.1613 -2.1613 -2.1577 -2.1577 -1.3233 -1.3233 -1.3115 -1.3115 -1.3017 -1.3017 6.4024 6.4024 8.1345 8.1345 8.4085 8.4085 9.2149 9.2149 9.3064 9.3064 9.4003 9.4003 9.5130 9.5130 9.5796 9.5796 9.6962 9.6962 9.7733 9.7733 9.8619 9.8619 10.0474 10.0474 10.4292 10.4292 11.1265 11.1265 13.2498 13.2498 14.7232 14.7232 15.4475 15.4475 15.4879 15.4879 16.4349 16.4349 k = 0.5588-0.0340 0.5163 ( 2549 PWs) bands (ev): -29.7121 -29.7121 -10.7932 -10.7932 -9.3859 -9.3859 -9.3716 -9.3716 -2.1611 -2.1611 -2.1578 -2.1578 -1.3234 -1.3234 -1.3110 -1.3110 -1.3020 -1.3020 6.4078 6.4078 8.1447 8.1447 8.4000 8.4000 9.2154 9.2154 9.3119 9.3119 9.4025 9.4025 9.5248 9.5248 9.5827 9.5827 9.6866 9.6866 9.7733 9.7733 9.8684 9.8684 10.0623 10.0623 10.4313 10.4313 11.0187 11.0187 13.3578 13.3578 14.6649 14.6649 15.4088 15.4088 15.4871 15.4871 16.4792 16.4792 k = 0.5515-0.0297 0.5283 ( 2545 PWs) bands (ev): -29.7121 -29.7121 -10.7932 -10.7932 -9.3856 -9.3856 -9.3720 -9.3720 -2.1609 -2.1609 -2.1578 -2.1578 -1.3234 -1.3234 -1.3104 -1.3104 -1.3024 -1.3024 6.4134 6.4134 8.1561 8.1561 8.3902 8.3902 9.2160 9.2160 9.3181 9.3181 9.4027 9.4027 9.5368 9.5368 9.5863 9.5863 9.6782 9.6782 9.7739 9.7739 9.8773 9.8773 10.0765 10.0765 10.4337 10.4337 10.9145 10.9145 13.4637 13.4637 14.6032 14.6032 15.3720 15.3720 15.4877 15.4877 16.5172 16.5172 k = 0.5441-0.0255 0.5403 ( 2543 PWs) bands (ev): -29.7121 -29.7121 -10.7932 -10.7932 -9.3853 -9.3853 -9.3725 -9.3725 -2.1607 -2.1607 -2.1579 -2.1579 -1.3235 -1.3235 -1.3098 -1.3098 -1.3028 -1.3028 6.4190 6.4190 8.1689 8.1689 8.3790 8.3790 9.2165 9.2165 9.3248 9.3248 9.4012 9.4012 9.5479 9.5479 9.5900 9.5900 9.6716 9.6716 9.7749 9.7749 9.8891 9.8891 10.0893 10.0893 10.4361 10.4361 10.8155 10.8155 13.5669 13.5669 14.5386 14.5386 15.3393 15.3393 15.4877 15.4877 16.5488 16.5488 k = 0.5368-0.0212 0.5523 ( 2542 PWs) bands (ev): -29.7121 -29.7121 -10.7933 -10.7933 -9.3851 -9.3851 -9.3729 -9.3729 -2.1605 -2.1605 -2.1581 -2.1581 -1.3235 -1.3235 -1.3093 -1.3093 -1.3032 -1.3032 6.4245 6.4245 8.1829 8.1829 8.3663 8.3663 9.2170 9.2170 9.3318 9.3318 9.3982 9.3982 9.5573 9.5573 9.5930 9.5930 9.6673 9.6673 9.7761 9.7761 9.9048 9.9048 10.0998 10.0998 10.4386 10.4386 10.7235 10.7235 13.6669 13.6669 14.4715 14.4715 15.3112 15.3112 15.4871 15.4871 16.5742 16.5742 k = 0.5294-0.0170 0.5643 ( 2545 PWs) bands (ev): -29.7121 -29.7121 -10.7933 -10.7933 -9.3848 -9.3848 -9.3732 -9.3732 -2.1603 -2.1603 -2.1582 -2.1582 -1.3235 -1.3235 -1.3087 -1.3087 -1.3037 -1.3037 6.4296 6.4296 8.1982 8.1982 8.3521 8.3521 9.2175 9.2175 9.3390 9.3390 9.3939 9.3939 9.5650 9.5650 9.5946 9.5946 9.6655 9.6655 9.7772 9.7772 9.9248 9.9248 10.1065 10.1065 10.4408 10.4408 10.6412 10.6412 13.7632 13.7632 14.4022 14.4022 15.2880 15.2880 15.4860 15.4860 16.5938 16.5938 k = 0.5221-0.0127 0.5764 ( 2547 PWs) bands (ev): -29.7120 -29.7120 -10.7934 -10.7934 -9.3846 -9.3846 -9.3735 -9.3735 -2.1601 -2.1601 -2.1584 -2.1584 -1.3236 -1.3236 -1.3082 -1.3082 -1.3042 -1.3042 6.4340 6.4340 8.2146 8.2146 8.3365 8.3365 9.2178 9.2178 9.3463 9.3463 9.3887 9.3887 9.5713 9.5713 9.5944 9.5944 9.6654 9.6654 9.7781 9.7781 9.9493 9.9493 10.1072 10.1072 10.4419 10.4419 10.5726 10.5726 13.8554 13.8554 14.3311 14.3311 15.2699 15.2699 15.4846 15.4846 16.6082 16.6082 k = 0.5147-0.0085 0.5884 ( 2547 PWs) bands (ev): -29.7120 -29.7120 -10.7934 -10.7934 -9.3844 -9.3844 -9.3738 -9.3738 -2.1599 -2.1599 -2.1586 -2.1586 -1.3236 -1.3236 -1.3077 -1.3077 -1.3046 -1.3046 6.4376 6.4376 8.2320 8.2320 8.3197 8.3197 9.2181 9.2181 9.3535 9.3535 9.3829 9.3829 9.5765 9.5765 9.5930 9.5930 9.6661 9.6661 9.7788 9.7788 9.9779 9.9779 10.0990 10.0990 10.4406 10.4406 10.5232 10.5232 13.9430 13.9430 14.2585 14.2585 15.2569 15.2569 15.4832 15.4832 16.6177 16.6177 k = 0.5074-0.0042 0.6004 ( 2551 PWs) bands (ev): -29.7120 -29.7120 -10.7934 -10.7934 -9.3843 -9.3843 -9.3739 -9.3739 -2.1598 -2.1598 -2.1588 -2.1588 -1.3236 -1.3236 -1.3074 -1.3074 -1.3050 -1.3050 6.4400 6.4400 8.2492 8.2492 8.3027 8.3027 9.2183 9.2183 9.3601 9.3601 9.3769 9.3769 9.5802 9.5802 9.5913 9.5913 9.6666 9.6666 9.7791 9.7791 10.0093 10.0093 10.0800 10.0800 10.4355 10.4355 10.4974 10.4974 14.0251 14.0251 14.1854 14.1854 15.2492 15.2492 15.4822 15.4822 16.6231 16.6231 k = 0.5000-0.0000 0.6124 ( 2580 PWs) bands (ev): -29.7121 -29.7121 -10.7934 -10.7934 -9.3843 -9.3843 -9.3740 -9.3740 -2.1599 -2.1599 -2.1590 -2.1590 -1.3238 -1.3238 -1.3074 -1.3074 -1.3053 -1.3053 6.4409 6.4409 8.2595 8.2595 8.2924 8.2924 9.2182 9.2182 9.3638 9.3638 9.3731 9.3731 9.5814 9.5814 9.5905 9.5905 9.6666 9.6666 9.7791 9.7791 10.0337 10.0337 10.0591 10.0591 10.4319 10.4319 10.4910 10.4910 14.0857 14.0857 14.1278 14.1278 15.2466 15.2466 15.4817 15.4817 16.6247 16.6247 k = 0.5000-0.0000 0.6124 ( 2580 PWs) bands (ev): -29.7121 -29.7121 -10.7934 -10.7934 -9.3843 -9.3843 -9.3740 -9.3740 -2.1599 -2.1599 -2.1590 -2.1590 -1.3238 -1.3238 -1.3074 -1.3074 -1.3053 -1.3053 6.4409 6.4409 8.2595 8.2595 8.2924 8.2924 9.2182 9.2182 9.3638 9.3638 9.3731 9.3731 9.5814 9.5814 9.5905 9.5905 9.6666 9.6666 9.7791 9.7791 10.0337 10.0337 10.0591 10.0591 10.4319 10.4319 10.4910 10.4910 14.0857 14.0857 14.1278 14.1278 15.2466 15.2466 15.4817 15.4817 16.6247 16.6247 k = 0.5000 0.0085 0.6004 ( 2554 PWs) bands (ev): -29.7120 -29.7120 -10.7934 -10.7934 -9.3843 -9.3843 -9.3740 -9.3740 -2.1597 -2.1597 -2.1589 -2.1589 -1.3236 -1.3236 -1.3073 -1.3073 -1.3052 -1.3052 6.4399 6.4399 8.2592 8.2592 8.2923 8.2923 9.2181 9.2181 9.3639 9.3639 9.3734 9.3734 9.5800 9.5800 9.5910 9.5910 9.6648 9.6648 9.7789 9.7789 10.0228 10.0228 10.0609 10.0609 10.4399 10.4399 10.5003 10.5003 14.0840 14.0840 14.1264 14.1264 15.2520 15.2520 15.4829 15.4829 16.6247 16.6247 k = 0.5000 0.0170 0.5884 ( 2550 PWs) bands (ev): -29.7121 -29.7121 -10.7934 -10.7934 -9.3844 -9.3844 -9.3738 -9.3738 -2.1597 -2.1597 -2.1588 -2.1588 -1.3235 -1.3235 -1.3072 -1.3072 -1.3051 -1.3051 6.4371 6.4371 8.2565 8.2565 8.2936 8.2936 9.2172 9.2172 9.3638 9.3638 9.3739 9.3739 9.5756 9.5756 9.5915 9.5915 9.6591 9.6591 9.7778 9.7778 9.9992 9.9992 10.0601 10.0601 10.4569 10.4569 10.5314 10.5314 14.0767 14.0767 14.1248 14.1248 15.2671 15.2671 15.4870 15.4870 16.6246 16.6246 k = 0.5000 0.0255 0.5764 ( 2550 PWs) bands (ev): -29.7121 -29.7121 -10.7933 -10.7933 -9.3845 -9.3845 -9.3736 -9.3736 -2.1596 -2.1596 -2.1587 -2.1587 -1.3233 -1.3233 -1.3073 -1.3073 -1.3051 -1.3051 6.4323 6.4323 8.2479 8.2479 8.2998 8.2998 9.2158 9.2158 9.3634 9.3634 9.3746 9.3746 9.5681 9.5681 9.5913 9.5913 9.6511 9.6511 9.7761 9.7761 9.9716 9.9716 10.0549 10.0549 10.4751 10.4751 10.5849 10.5849 14.0605 14.0605 14.1276 14.1276 15.2890 15.2890 15.4955 15.4955 16.6243 16.6243 k = 0.5000 0.0340 0.5643 ( 2552 PWs) bands (ev): -29.7121 -29.7121 -10.7933 -10.7933 -9.3846 -9.3846 -9.3733 -9.3733 -2.1595 -2.1595 -2.1587 -2.1587 -1.3231 -1.3231 -1.3073 -1.3073 -1.3051 -1.3051 6.4258 6.4258 8.2327 8.2327 8.3116 8.3116 9.2139 9.2139 9.3627 9.3627 9.3756 9.3756 9.5563 9.5563 9.5903 9.5903 9.6429 9.6429 9.7739 9.7739 9.9449 9.9449 10.0465 10.0465 10.4946 10.4946 10.6542 10.6542 14.0361 14.0361 14.1355 14.1355 15.3131 15.3131 15.5115 15.5115 16.6238 16.6238 k = 0.5000 0.0425 0.5523 ( 2548 PWs) bands (ev): -29.7121 -29.7121 -10.7932 -10.7932 -9.3848 -9.3848 -9.3730 -9.3730 -2.1594 -2.1594 -2.1585 -2.1585 -1.3229 -1.3229 -1.3073 -1.3073 -1.3050 -1.3050 6.4177 6.4177 8.2115 8.2115 8.3282 8.3282 9.2115 9.2115 9.3613 9.3613 9.3769 9.3769 9.5395 9.5395 9.5884 9.5884 9.6365 9.6365 9.7711 9.7711 9.9213 9.9213 10.0358 10.0358 10.5167 10.5167 10.7333 10.7333 14.0064 14.0064 14.1477 14.1477 15.3340 15.3340 15.5387 15.5387 16.6230 16.6230 k = 0.5000 0.0509 0.5403 ( 2546 PWs) bands (ev): -29.7121 -29.7121 -10.7931 -10.7931 -9.3850 -9.3850 -9.3725 -9.3725 -2.1593 -2.1593 -2.1584 -2.1584 -1.3225 -1.3225 -1.3074 -1.3074 -1.3049 -1.3049 6.4081 6.4081 8.1853 8.1853 8.3486 8.3486 9.2087 9.2087 9.3590 9.3590 9.3785 9.3785 9.5185 9.5185 9.5862 9.5862 9.6327 9.6327 9.7680 9.7680 9.9014 9.9014 10.0236 10.0236 10.5416 10.5416 10.8186 10.8186 13.9739 13.9739 14.1633 14.1633 15.3476 15.3476 15.5791 15.5791 16.6218 16.6218 k = 0.5000 0.0594 0.5283 ( 2546 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3853 -9.3853 -9.3720 -9.3720 -2.1591 -2.1591 -2.1583 -2.1583 -1.3222 -1.3222 -1.3075 -1.3075 -1.3047 -1.3047 6.3972 6.3972 8.1544 8.1544 8.3724 8.3724 9.2054 9.2054 9.3553 9.3553 9.3802 9.3802 9.4957 9.4957 9.5837 9.5837 9.6307 9.6307 9.7643 9.7643 9.8847 9.8847 10.0105 10.0105 10.5695 10.5695 10.9079 10.9079 13.9405 13.9405 14.1820 14.1820 15.3538 15.3538 15.6313 15.6313 16.6200 16.6200 k = 0.5000 0.0679 0.5163 ( 2552 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3855 -9.3855 -9.3715 -9.3715 -2.1590 -2.1590 -2.1581 -2.1581 -1.3218 -1.3218 -1.3077 -1.3077 -1.3046 -1.3046 6.3852 6.3852 8.1194 8.1194 8.3990 8.3990 9.2016 9.2016 9.3498 9.3498 9.3820 9.3820 9.4737 9.4737 9.5813 9.5813 9.6300 9.6300 9.7603 9.7603 9.8706 9.8706 9.9970 9.9970 10.6003 10.6003 10.9993 10.9993 13.9080 13.9080 14.2034 14.2034 15.3543 15.3543 15.6922 15.6922 16.6174 16.6174 k = 0.5000 0.0764 0.5043 ( 2550 PWs) bands (ev): -29.7122 -29.7122 -10.7928 -10.7928 -9.3858 -9.3858 -9.3709 -9.3709 -2.1589 -2.1589 -2.1579 -2.1579 -1.3214 -1.3214 -1.3078 -1.3078 -1.3044 -1.3044 6.3724 6.3724 8.0808 8.0808 8.4280 8.4280 9.1973 9.1973 9.3418 9.3418 9.3837 9.3837 9.4548 9.4548 9.5790 9.5790 9.6299 9.6299 9.7559 9.7559 9.8584 9.8584 9.9836 9.9836 10.6338 10.6338 11.0918 11.0918 13.8777 13.8777 14.2274 14.2274 15.3508 15.3508 15.7587 15.7587 16.6137 16.6137 k = 0.5000 0.0849 0.4923 ( 2552 PWs) bands (ev): -29.7122 -29.7122 -10.7927 -10.7927 -9.3861 -9.3861 -9.3702 -9.3702 -2.1587 -2.1587 -2.1577 -2.1577 -1.3210 -1.3210 -1.3081 -1.3081 -1.3041 -1.3041 6.3588 6.3588 8.0391 8.0391 8.4591 8.4591 9.1924 9.1924 9.3314 9.3314 9.3852 9.3852 9.4404 9.4404 9.5768 9.5768 9.6300 9.6300 9.7513 9.7513 9.8475 9.8475 9.9704 9.9704 10.6702 10.6702 11.1840 11.1840 13.8509 13.8509 14.2538 14.2538 15.3447 15.3447 15.8284 15.8284 16.6084 16.6084 k = 0.5000 0.0934 0.4803 ( 2556 PWs) bands (ev): -29.7122 -29.7122 -10.7925 -10.7925 -9.3864 -9.3864 -9.3695 -9.3695 -2.1586 -2.1586 -2.1575 -2.1575 -1.3205 -1.3205 -1.3084 -1.3084 -1.3038 -1.3038 6.3448 6.3448 7.9949 7.9949 8.4916 8.4916 9.1865 9.1865 9.3192 9.3192 9.3865 9.3865 9.4306 9.4306 9.5747 9.5747 9.6300 9.6300 9.7464 9.7464 9.8375 9.8375 9.9577 9.9577 10.7095 10.7095 11.2749 11.2749 13.8287 13.8287 14.2822 14.2822 15.3367 15.3367 15.8995 15.8995 16.6010 16.6010 k = 0.5000 0.1019 0.4683 ( 2552 PWs) bands (ev): -29.7122 -29.7122 -10.7924 -10.7924 -9.3867 -9.3867 -9.3688 -9.3688 -2.1584 -2.1584 -2.1572 -2.1572 -1.3200 -1.3200 -1.3086 -1.3086 -1.3034 -1.3034 6.3304 6.3304 7.9487 7.9487 8.5254 8.5254 9.1796 9.1796 9.3067 9.3067 9.3875 9.3875 9.4245 9.4245 9.5728 9.5728 9.6298 9.6298 9.7414 9.7414 9.8282 9.8282 9.9457 9.9457 10.7517 10.7517 11.3634 11.3634 13.8122 13.8122 14.3125 14.3125 15.3275 15.3275 15.9705 15.9705 16.5899 16.5899 k = 0.5000 0.1104 0.4563 ( 2558 PWs) bands (ev): -29.7123 -29.7123 -10.7922 -10.7922 -9.3871 -9.3871 -9.3681 -9.3681 -2.1582 -2.1582 -2.1570 -2.1570 -1.3195 -1.3195 -1.3089 -1.3089 -1.3030 -1.3030 6.3158 6.3158 7.9010 7.9010 8.5599 8.5599 9.1715 9.1715 9.2950 9.2950 9.3882 9.3882 9.4212 9.4212 9.5708 9.5708 9.6290 9.6290 9.7365 9.7365 9.8192 9.8192 9.9345 9.9345 10.7968 10.7968 11.4487 11.4487 13.8024 13.8024 14.3443 14.3443 15.3173 15.3173 16.0401 16.0401 16.5722 16.5722 k = 0.5000 0.1189 0.4443 ( 2558 PWs) bands (ev): -29.7123 -29.7123 -10.7921 -10.7921 -9.3874 -9.3874 -9.3673 -9.3673 -2.1580 -2.1580 -2.1567 -2.1567 -1.3190 -1.3190 -1.3092 -1.3092 -1.3026 -1.3026 6.3012 6.3012 7.8524 7.8524 8.5947 8.5947 9.1621 9.1621 9.2852 9.2852 9.3887 9.3887 9.4197 9.4197 9.5690 9.5690 9.6277 9.6277 9.7318 9.7318 9.8106 9.8106 9.9241 9.9241 10.8450 10.8450 11.5296 11.5296 13.8001 13.8001 14.3773 14.3773 15.3065 15.3065 16.1072 16.1072 16.5394 16.5394 k = 0.5000 0.1274 0.4323 ( 2556 PWs) bands (ev): -29.7123 -29.7123 -10.7919 -10.7919 -9.3877 -9.3877 -9.3665 -9.3665 -2.1578 -2.1578 -2.1564 -2.1564 -1.3185 -1.3185 -1.3095 -1.3095 -1.3021 -1.3021 6.2867 6.2867 7.8035 7.8035 8.6295 8.6295 9.1517 9.1517 9.2776 9.2776 9.3891 9.3891 9.4193 9.4193 9.5671 9.5671 9.6257 9.6257 9.7275 9.7275 9.8023 9.8023 9.9145 9.9145 10.8963 10.8963 11.6052 11.6052 13.8061 13.8061 14.4112 14.4112 15.2955 15.2955 16.1707 16.1707 16.4728 16.4728 k = 0.5000 0.1358 0.4203 ( 2558 PWs) bands (ev): -29.7124 -29.7124 -10.7917 -10.7917 -9.3881 -9.3881 -9.3657 -9.3657 -2.1577 -2.1577 -2.1561 -2.1561 -1.3180 -1.3180 -1.3098 -1.3098 -1.3017 -1.3017 6.2725 6.2725 7.7547 7.7547 8.6639 8.6639 9.1404 9.1404 9.2721 9.2721 9.3894 9.3894 9.4196 9.4196 9.5652 9.5652 9.6229 9.6229 9.7237 9.7237 9.7942 9.7942 9.9058 9.9058 10.9509 10.9509 11.6749 11.6749 13.8211 13.8211 14.4454 14.4454 15.2842 15.2842 16.2288 16.2288 16.3640 16.3640 k = 0.5000 0.1443 0.4082 ( 2560 PWs) bands (ev): -29.7124 -29.7124 -10.7916 -10.7916 -9.3884 -9.3884 -9.3650 -9.3650 -2.1575 -2.1575 -2.1558 -2.1558 -1.3176 -1.3176 -1.3101 -1.3101 -1.3012 -1.3012 6.2586 6.2586 7.7065 7.7065 8.6975 8.6975 9.1288 9.1288 9.2684 9.2684 9.3899 9.3899 9.4204 9.4204 9.5632 9.5632 9.6192 9.6192 9.7206 9.7206 9.7863 9.7863 9.8978 9.8978 11.0086 11.0086 11.7378 11.7378 13.8454 13.8454 14.4794 14.4794 15.2731 15.2731 16.2226 16.2226 16.2906 16.2906 k = 0.5000 0.1528 0.3962 ( 2554 PWs) bands (ev): -29.7124 -29.7124 -10.7914 -10.7914 -9.3887 -9.3887 -9.3642 -9.3642 -2.1573 -2.1573 -2.1555 -2.1555 -1.3171 -1.3171 -1.3103 -1.3103 -1.3006 -1.3006 6.2451 6.2451 7.6593 7.6593 8.7300 8.7300 9.1172 9.1172 9.2662 9.2662 9.3905 9.3905 9.4214 9.4214 9.5611 9.5611 9.6148 9.6148 9.7182 9.7182 9.7788 9.7788 9.8906 9.8906 11.0695 11.0695 11.7937 11.7937 13.8792 13.8792 14.5124 14.5124 15.2623 15.2623 16.0851 16.0851 16.3346 16.3346 k = 0.5000 0.1613 0.3842 ( 2552 PWs) bands (ev): -29.7125 -29.7125 -10.7912 -10.7912 -9.3891 -9.3891 -9.3634 -9.3634 -2.1571 -2.1571 -2.1552 -2.1552 -1.3166 -1.3166 -1.3106 -1.3106 -1.3000 -1.3000 6.2322 6.2322 7.6134 7.6134 8.7611 8.7611 9.1059 9.1059 9.2650 9.2650 9.3915 9.3915 9.4226 9.4226 9.5586 9.5586 9.6097 9.6097 9.7164 9.7164 9.7716 9.7716 9.8841 9.8841 11.1335 11.1335 11.8423 11.8423 13.9223 13.9223 14.5432 14.5432 15.2519 15.2519 15.9439 15.9439 16.3748 16.3748 k = 0.5000 0.1698 0.3722 ( 2552 PWs) bands (ev): -29.7125 -29.7125 -10.7911 -10.7911 -9.3894 -9.3894 -9.3626 -9.3626 -2.1569 -2.1569 -2.1549 -2.1549 -1.3162 -1.3162 -1.3108 -1.3108 -1.2995 -1.2995 6.2199 6.2199 7.5692 7.5692 8.7905 8.7905 9.0953 9.0953 9.2646 9.2646 9.3928 9.3928 9.4239 9.4239 9.5558 9.5558 9.6040 9.6040 9.7152 9.7152 9.7647 9.7647 9.8782 9.8782 11.2004 11.2004 11.8837 11.8837 13.9741 13.9741 14.5705 14.5705 15.2422 15.2422 15.8057 15.8057 16.4071 16.4071 k = 0.5000 0.1783 0.3602 ( 2556 PWs) bands (ev): -29.7125 -29.7125 -10.7909 -10.7909 -9.3897 -9.3897 -9.3619 -9.3619 -2.1567 -2.1567 -2.1546 -2.1546 -1.3159 -1.3159 -1.3111 -1.3111 -1.2989 -1.2989 6.2083 6.2083 7.5270 7.5270 8.8177 8.8177 9.0854 9.0854 9.2647 9.2647 9.3947 9.3947 9.4253 9.4253 9.5527 9.5527 9.5979 9.5979 9.7144 9.7144 9.7583 9.7583 9.8729 9.8729 11.2701 11.2701 11.9183 11.9183 14.0338 14.0338 14.5922 14.5922 15.2333 15.2333 15.6741 15.6741 16.4300 16.4300 k = 0.5000 0.1868 0.3482 ( 2558 PWs) bands (ev): -29.7125 -29.7125 -10.7908 -10.7908 -9.3900 -9.3900 -9.3612 -9.3612 -2.1566 -2.1566 -2.1544 -2.1544 -1.3155 -1.3155 -1.3113 -1.3113 -1.2984 -1.2984 6.1973 6.1973 7.4870 7.4870 8.8427 8.8427 9.0766 9.0766 9.2651 9.2651 9.3971 9.3971 9.4269 9.4269 9.5491 9.5491 9.5914 9.5914 9.7139 9.7139 9.7525 9.7525 9.8681 9.8681 11.3421 11.3421 11.9467 11.9467 14.1003 14.1003 14.6054 14.6054 15.2256 15.2256 15.5531 15.5531 16.4414 16.4414 k = 0.5000 0.1953 0.3362 ( 2556 PWs) bands (ev): -29.7126 -29.7126 -10.7906 -10.7906 -9.3902 -9.3902 -9.3605 -9.3605 -2.1564 -2.1564 -2.1541 -2.1541 -1.3152 -1.3152 -1.3115 -1.3115 -1.2978 -1.2978 6.1871 6.1871 7.4495 7.4495 8.8651 8.8651 9.0692 9.0692 9.2657 9.2657 9.4002 9.4002 9.4286 9.4286 9.5452 9.5452 9.5848 9.5848 9.7134 9.7134 9.7474 9.7474 9.8639 9.8639 11.4161 11.4161 11.9694 11.9694 14.1721 14.1721 14.6064 14.6064 15.2190 15.2190 15.4470 15.4470 16.4400 16.4400 k = 0.5000 0.2038 0.3242 ( 2552 PWs) bands (ev): -29.7126 -29.7126 -10.7905 -10.7905 -9.3905 -9.3905 -9.3598 -9.3598 -2.1562 -2.1562 -2.1538 -2.1538 -1.3150 -1.3150 -1.3116 -1.3116 -1.2973 -1.2973 6.1777 6.1777 7.4146 7.4146 8.8846 8.8846 9.0632 9.0632 9.2664 9.2664 9.4040 9.4040 9.4306 9.4306 9.5408 9.5408 9.5779 9.5779 9.7130 9.7130 9.7430 9.7430 9.8601 9.8601 11.4915 11.4915 11.9873 11.9873 14.2475 14.2475 14.5910 14.5910 15.2139 15.2139 15.3610 15.3610 16.4279 16.4279 k = 0.5000 0.2123 0.3122 ( 2548 PWs) bands (ev): -29.7126 -29.7126 -10.7903 -10.7903 -9.3907 -9.3907 -9.3592 -9.3592 -2.1561 -2.1561 -2.1536 -2.1536 -1.3148 -1.3148 -1.3117 -1.3117 -1.2968 -1.2968 6.1692 6.1692 7.3826 7.3826 8.9011 8.9011 9.0588 9.0588 9.2671 9.2671 9.4085 9.4085 9.4328 9.4328 9.5361 9.5361 9.5709 9.5709 9.7123 9.7123 9.7396 9.7396 9.8568 9.8568 11.5674 11.5674 12.0011 12.0011 14.3246 14.3246 14.5561 14.5561 15.2103 15.2103 15.2989 15.2989 16.4094 16.4094 k = 0.5000 0.2208 0.3002 ( 2546 PWs) bands (ev): -29.7126 -29.7126 -10.7902 -10.7902 -9.3910 -9.3910 -9.3587 -9.3587 -2.1560 -2.1560 -2.1533 -2.1533 -1.3147 -1.3147 -1.3117 -1.3117 -1.2963 -1.2963 6.1614 6.1614 7.3536 7.3536 8.9143 8.9143 9.0562 9.0562 9.2678 9.2678 9.4135 9.4135 9.4353 9.4353 9.5311 9.5311 9.5636 9.5636 9.7114 9.7114 9.7370 9.7370 9.8539 9.8539 11.6429 11.6429 12.0116 12.0116 14.4011 14.4011 14.5028 14.5028 15.2080 15.2080 15.2614 15.2614 16.3878 16.3878 k = 0.5000 0.2292 0.2882 ( 2544 PWs) bands (ev): -29.7127 -29.7127 -10.7901 -10.7901 -9.3911 -9.3911 -9.3582 -9.3582 -2.1558 -2.1558 -2.1531 -2.1531 -1.3146 -1.3146 -1.3118 -1.3118 -1.2958 -1.2958 6.1546 6.1546 7.3277 7.3277 8.9245 8.9245 9.0553 9.0553 9.2684 9.2684 9.4188 9.4188 9.4383 9.4383 9.5259 9.5259 9.5562 9.5562 9.7102 9.7102 9.7352 9.7352 9.8514 9.8514 11.7168 11.7168 12.0195 12.0195 14.4309 14.4309 14.4794 14.4794 15.2071 15.2071 15.2450 15.2450 16.3647 16.3647 k = 0.5000 0.2377 0.2762 ( 2542 PWs) bands (ev): -29.7127 -29.7127 -10.7900 -10.7900 -9.3913 -9.3913 -9.3577 -9.3577 -2.1557 -2.1557 -2.1529 -2.1529 -1.3145 -1.3145 -1.3117 -1.3117 -1.2954 -1.2954 6.1486 6.1486 7.3050 7.3050 8.9316 8.9316 9.0559 9.0559 9.2691 9.2691 9.4242 9.4242 9.4420 9.4420 9.5207 9.5207 9.5486 9.5486 9.7088 9.7088 9.7341 9.7341 9.8494 9.8494 11.7874 11.7874 12.0254 12.0254 14.3570 14.3570 14.5474 14.5474 15.2089 15.2089 15.2430 15.2430 16.3410 16.3410 k = 0.5000 0.2462 0.2642 ( 2542 PWs) bands (ev): -29.7127 -29.7127 -10.7899 -10.7899 -9.3915 -9.3915 -9.3574 -9.3574 -2.1557 -2.1557 -2.1528 -2.1528 -1.3145 -1.3145 -1.3117 -1.3117 -1.2951 -1.2951 6.1436 6.1436 7.2856 7.2856 8.9364 8.9364 9.0575 9.0575 9.2696 9.2696 9.4293 9.4293 9.4464 9.4464 9.5156 9.5156 9.5409 9.5409 9.7074 9.7074 9.7335 9.7335 9.8476 9.8476 11.8528 11.8528 12.0300 12.0300 14.2809 14.2809 14.6099 14.6099 15.2145 15.2145 15.2486 15.2486 16.3175 16.3175 k = 0.5000 0.2547 0.2522 ( 2538 PWs) bands (ev): -29.7127 -29.7127 -10.7899 -10.7899 -9.3916 -9.3916 -9.3570 -9.3570 -2.1556 -2.1556 -2.1526 -2.1526 -1.3145 -1.3145 -1.3117 -1.3117 -1.2947 -1.2947 6.1394 6.1394 7.2697 7.2697 8.9394 8.9394 9.0596 9.0596 9.2702 9.2702 9.4337 9.4337 9.4517 9.4517 9.5110 9.5110 9.5333 9.5333 9.7061 9.7061 9.7332 9.7332 9.8463 9.8463 11.9105 11.9105 12.0341 12.0341 14.2099 14.2099 14.6631 14.6631 15.2231 15.2231 15.2581 15.2581 16.2949 16.2949 k = 0.5000 0.2632 0.2401 ( 2530 PWs) bands (ev): -29.7127 -29.7127 -10.7898 -10.7898 -9.3917 -9.3917 -9.3568 -9.3568 -2.1555 -2.1555 -2.1525 -2.1525 -1.3145 -1.3145 -1.3116 -1.3116 -1.2945 -1.2945 6.1362 6.1362 7.2572 7.2572 8.9412 8.9412 9.0618 9.0618 9.2707 9.2707 9.4374 9.4374 9.4575 9.4575 9.5069 9.5069 9.5260 9.5260 9.7051 9.7051 9.7332 9.7332 9.8452 9.8452 11.9574 11.9574 12.0387 12.0387 14.1489 14.1489 14.7055 14.7055 15.2330 15.2330 15.2689 15.2689 16.2745 16.2745 k = 0.5000 0.2717 0.2281 ( 2528 PWs) bands (ev): -29.7127 -29.7127 -10.7898 -10.7898 -9.3917 -9.3917 -9.3566 -9.3566 -2.1554 -2.1554 -2.1524 -2.1524 -1.3145 -1.3145 -1.3116 -1.3116 -1.2943 -1.2943 6.1339 6.1339 7.2483 7.2483 8.9421 8.9421 9.0636 9.0636 9.2710 9.2710 9.4401 9.4401 9.4631 9.4631 9.5036 9.5036 9.5194 9.5194 9.7044 9.7044 9.7331 9.7331 9.8445 9.8445 11.9895 11.9895 12.0455 12.0455 14.1021 14.1021 14.7359 14.7359 15.2420 15.2420 15.2788 15.2788 16.2578 16.2578 k = 0.5000 0.2802 0.2161 ( 2536 PWs) bands (ev): -29.7127 -29.7127 -10.7898 -10.7898 -9.3918 -9.3918 -9.3565 -9.3565 -2.1555 -2.1555 -2.1524 -2.1524 -1.3146 -1.3146 -1.3116 -1.3116 -1.2942 -1.2942 6.1325 6.1325 7.2429 7.2429 8.9424 8.9424 9.0648 9.0648 9.2712 9.2712 9.4417 9.4417 9.4675 9.4675 9.5015 9.5015 9.5145 9.5145 9.7038 9.7038 9.7331 9.7331 9.8440 9.8440 12.0054 12.0054 12.0539 12.0539 14.0726 14.0726 14.7540 14.7540 15.2483 15.2483 15.2859 15.2859 16.2467 16.2467 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): -29.7127 -29.7127 -10.7897 -10.7897 -9.3918 -9.3918 -9.3565 -9.3565 -2.1554 -2.1554 -2.1524 -2.1524 -1.3146 -1.3146 -1.3116 -1.3116 -1.2942 -1.2942 6.1320 6.1320 7.2411 7.2411 8.9426 8.9426 9.0652 9.0652 9.2713 9.2713 9.4423 9.4423 9.4692 9.4692 9.5007 9.5007 9.5126 9.5126 9.7036 9.7036 9.7331 9.7331 9.8438 9.8438 12.0097 12.0097 12.0579 12.0579 14.0625 14.0625 14.7601 14.7601 15.2505 15.2505 15.2885 15.2885 16.2428 16.2428 k = 0.5000 0.2887 0.2041 ( 2536 PWs) bands (ev): -29.7127 -29.7127 -10.7897 -10.7897 -9.3918 -9.3918 -9.3565 -9.3565 -2.1554 -2.1554 -2.1524 -2.1524 -1.3146 -1.3146 -1.3116 -1.3116 -1.2942 -1.2942 6.1320 6.1320 7.2411 7.2411 8.9426 8.9426 9.0652 9.0652 9.2713 9.2713 9.4423 9.4423 9.4692 9.4692 9.5007 9.5007 9.5126 9.5126 9.7036 9.7036 9.7331 9.7331 9.8438 9.8438 12.0097 12.0097 12.0579 12.0579 14.0625 14.0625 14.7601 14.7601 15.2505 15.2505 15.2885 15.2885 16.2428 16.2428 k = 0.4958 0.2863 0.2177 ( 2536 PWs) bands (ev): -29.7127 -29.7127 -10.7898 -10.7898 -9.3918 -9.3918 -9.3565 -9.3565 -2.1555 -2.1555 -2.1524 -2.1524 -1.3146 -1.3146 -1.3116 -1.3116 -1.2942 -1.2942 6.1324 6.1324 7.2429 7.2429 8.9424 8.9424 9.0648 9.0648 9.2712 9.2712 9.4417 9.4417 9.4676 9.4676 9.5014 9.5014 9.5145 9.5145 9.7038 9.7038 9.7331 9.7331 9.8440 9.8440 12.0056 12.0056 12.0540 12.0540 14.0722 14.0722 14.7543 14.7543 15.2483 15.2483 15.2860 15.2860 16.2466 16.2466 k = 0.4917 0.2839 0.2313 ( 2530 PWs) bands (ev): -29.7127 -29.7127 -10.7898 -10.7898 -9.3917 -9.3917 -9.3566 -9.3566 -2.1554 -2.1554 -2.1524 -2.1524 -1.3145 -1.3145 -1.3116 -1.3116 -1.2943 -1.2943 6.1338 6.1338 7.2480 7.2480 8.9421 8.9421 9.0637 9.0637 9.2710 9.2710 9.4402 9.4402 9.4633 9.4633 9.5035 9.5035 9.5192 9.5192 9.7043 9.7043 9.7331 9.7331 9.8444 9.8444 11.9903 11.9903 12.0459 12.0459 14.1007 14.1007 14.7368 14.7368 15.2422 15.2422 15.2792 15.2792 16.2573 16.2573 k = 0.4875 0.2815 0.2449 ( 2530 PWs) bands (ev): -29.7127 -29.7127 -10.7898 -10.7898 -9.3917 -9.3917 -9.3568 -9.3568 -2.1555 -2.1555 -2.1525 -2.1525 -1.3145 -1.3145 -1.3116 -1.3116 -1.2945 -1.2945 6.1360 6.1360 7.2567 7.2567 8.9412 8.9412 9.0619 9.0619 9.2707 9.2707 9.4376 9.4376 9.4578 9.4578 9.5067 9.5067 9.5256 9.5256 9.7051 9.7051 9.7332 9.7332 9.8452 9.8452 11.9594 11.9594 12.0392 12.0392 14.1458 14.1458 14.7077 14.7077 15.2324 15.2324 15.2705 15.2705 16.2734 16.2734 k = 0.4833 0.2791 0.2586 ( 2535 PWs) bands (ev): -29.7127 -29.7127 -10.7899 -10.7899 -9.3916 -9.3916 -9.3570 -9.3570 -2.1556 -2.1556 -2.1526 -2.1526 -1.3145 -1.3145 -1.3116 -1.3116 -1.2947 -1.2947 6.1391 6.1391 7.2687 7.2687 8.9396 8.9396 9.0598 9.0598 9.2702 9.2702 9.4341 9.4341 9.4521 9.4521 9.5108 9.5108 9.5327 9.5327 9.7061 9.7061 9.7332 9.7332 9.8462 9.8462 11.9139 11.9139 12.0350 12.0350 14.2041 14.2041 14.6681 14.6681 15.2182 15.2182 15.2639 15.2639 16.2929 16.2929 k = 0.4792 0.2766 0.2722 ( 2539 PWs) bands (ev): -29.7127 -29.7127 -10.7899 -10.7899 -9.3915 -9.3915 -9.3573 -9.3573 -2.1556 -2.1556 -2.1528 -2.1528 -1.3145 -1.3145 -1.3117 -1.3117 -1.2950 -1.2950 6.1431 6.1431 7.2840 7.2840 8.9368 8.9368 9.0577 9.0577 9.2697 9.2697 9.4298 9.4298 9.4467 9.4467 9.5155 9.5155 9.5400 9.5400 9.7073 9.7073 9.7334 9.7334 9.8475 9.8475 11.8573 11.8573 12.0320 12.0320 14.2698 14.2698 14.6215 14.6215 15.1991 15.1991 15.2634 15.2634 16.3141 16.3141 k = 0.4750 0.2742 0.2858 ( 2540 PWs) bands (ev): -29.7127 -29.7127 -10.7900 -10.7900 -9.3913 -9.3913 -9.3577 -9.3577 -2.1557 -2.1557 -2.1529 -2.1529 -1.3145 -1.3145 -1.3117 -1.3117 -1.2954 -1.2954 6.1480 6.1480 7.3027 7.3027 8.9323 8.9323 9.0560 9.0560 9.2691 9.2691 9.4248 9.4248 9.4423 9.4423 9.5206 9.5206 9.5474 9.5474 9.7087 9.7087 9.7339 9.7339 9.8492 9.8492 11.7925 11.7925 12.0293 12.0293 14.3297 14.3297 14.5794 14.5794 15.1758 15.1758 15.2710 15.2710 16.3355 16.3355 k = 0.4708 0.2718 0.2994 ( 2539 PWs) bands (ev): -29.7127 -29.7127 -10.7901 -10.7901 -9.3912 -9.3912 -9.3581 -9.3581 -2.1558 -2.1558 -2.1531 -2.1531 -1.3145 -1.3145 -1.3117 -1.3117 -1.2957 -1.2957 6.1538 6.1538 7.3245 7.3245 8.9256 8.9256 9.0553 9.0553 9.2686 9.2686 9.4192 9.4192 9.4389 9.4389 9.5260 9.5260 9.5546 9.5546 9.7102 9.7102 9.7348 9.7348 9.8512 9.8512 11.7219 11.7219 12.0266 12.0266 14.3500 14.3500 14.5737 14.5737 15.1496 15.1496 15.2878 15.2878 16.3560 16.3560 k = 0.4667 0.2694 0.3130 ( 2541 PWs) bands (ev): -29.7126 -29.7126 -10.7902 -10.7902 -9.3910 -9.3910 -9.3586 -9.3586 -2.1559 -2.1559 -2.1533 -2.1533 -1.3146 -1.3146 -1.3118 -1.3118 -1.2962 -1.2962 6.1604 6.1604 7.3495 7.3495 8.9162 8.9162 9.0558 9.0558 9.2679 9.2679 9.4134 9.4134 9.4364 9.4364 9.5315 9.5315 9.5615 9.5615 9.7117 9.7117 9.7363 9.7363 9.8536 9.8536 11.6472 11.6472 12.0236 12.0236 14.3083 14.3083 14.6253 14.6253 15.1218 15.1218 15.3151 15.3151 16.3750 16.3750 k = 0.4625 0.2670 0.3266 ( 2545 PWs) bands (ev): -29.7126 -29.7126 -10.7903 -10.7903 -9.3908 -9.3908 -9.3591 -9.3591 -2.1561 -2.1561 -2.1535 -2.1535 -1.3147 -1.3147 -1.3117 -1.3117 -1.2966 -1.2966 6.1678 6.1678 7.3776 7.3776 8.9037 8.9037 9.0580 9.0580 9.2673 9.2673 9.4075 9.4075 9.4347 9.4347 9.5369 9.5369 9.5682 9.5682 9.7131 9.7131 9.7382 9.7382 9.8563 9.8563 11.5700 11.5700 12.0204 12.0204 14.2336 14.2336 14.7029 14.7029 15.0933 15.0933 15.3548 15.3548 16.3917 16.3917 k = 0.4583 0.2646 0.3402 ( 2545 PWs) bands (ev): -29.7126 -29.7126 -10.7904 -10.7904 -9.3905 -9.3905 -9.3597 -9.3597 -2.1562 -2.1562 -2.1537 -2.1537 -1.3149 -1.3149 -1.3117 -1.3117 -1.2971 -1.2971 6.1760 6.1760 7.4085 7.4085 8.8882 8.8882 9.0618 9.0618 9.2666 9.2666 9.4018 9.4018 9.4338 9.4338 9.5420 9.5420 9.5746 9.5746 9.7144 9.7144 9.7409 9.7409 9.8595 9.8595 11.4912 11.4912 12.0167 12.0167 14.1459 14.1459 14.7840 14.7840 15.0650 15.0650 15.4091 15.4091 16.4056 16.4056 k = 0.4542 0.2622 0.3538 ( 2547 PWs) bands (ev): -29.7126 -29.7126 -10.7906 -10.7906 -9.3903 -9.3903 -9.3603 -9.3603 -2.1563 -2.1563 -2.1540 -2.1540 -1.3150 -1.3150 -1.3116 -1.3116 -1.2976 -1.2976 6.1851 6.1851 7.4422 7.4422 8.8697 8.8697 9.0672 9.0672 9.2658 9.2658 9.3962 9.3962 9.4337 9.4337 9.5467 9.5467 9.5809 9.5809 9.7156 9.7156 9.7442 9.7442 9.8631 9.8631 11.4119 11.4119 12.0126 12.0126 14.0519 14.0519 14.8594 14.8594 15.0379 15.0379 15.4802 15.4802 16.4163 16.4163 k = 0.4500 0.2598 0.3674 ( 2553 PWs) bands (ev): -29.7126 -29.7126 -10.7907 -10.7907 -9.3900 -9.3900 -9.3610 -9.3610 -2.1565 -2.1565 -2.1543 -2.1543 -1.3153 -1.3153 -1.3116 -1.3116 -1.2982 -1.2982 6.1949 6.1949 7.4786 7.4786 8.8484 8.8484 9.0739 9.0739 9.2649 9.2649 9.3908 9.3908 9.4345 9.4345 9.5508 9.5508 9.5870 9.5870 9.7169 9.7169 9.7480 9.7480 9.8671 9.8671 11.3328 11.3328 12.0081 12.0081 13.9546 13.9546 14.9236 14.9236 15.0139 15.0139 15.5687 15.5687 16.4232 16.4232 k = 0.4458 0.2574 0.3810 ( 2550 PWs) bands (ev): -29.7125 -29.7125 -10.7909 -10.7909 -9.3898 -9.3898 -9.3617 -9.3617 -2.1567 -2.1567 -2.1546 -2.1546 -1.3155 -1.3155 -1.3115 -1.3115 -1.2987 -1.2987 6.2054 6.2054 7.5174 7.5174 8.8247 8.8247 9.0818 9.0818 9.2640 9.2640 9.3856 9.3856 9.4361 9.4361 9.5543 9.5543 9.5932 9.5932 9.7186 9.7186 9.7522 9.7522 9.8716 9.8716 11.2545 11.2545 12.0030 12.0030 13.8558 13.8558 14.9615 14.9615 15.0081 15.0081 15.6733 15.6733 16.4260 16.4260 k = 0.4417 0.2550 0.3946 ( 2557 PWs) bands (ev): -29.7125 -29.7125 -10.7910 -10.7910 -9.3895 -9.3895 -9.3624 -9.3624 -2.1569 -2.1569 -2.1549 -2.1549 -1.3158 -1.3158 -1.3114 -1.3114 -1.2992 -1.2992 6.2165 6.2165 7.5584 7.5584 8.7985 8.7985 9.0906 9.0906 9.2629 9.2629 9.3806 9.3806 9.4384 9.4384 9.5572 9.5572 9.5994 9.5994 9.7204 9.7204 9.7566 9.7566 9.8765 9.8765 11.1774 11.1774 11.9973 11.9973 13.7566 13.7566 14.9517 14.9517 15.0434 15.0434 15.7913 15.7913 16.4244 16.4244 k = 0.4375 0.2526 0.4082 ( 2555 PWs) bands (ev): -29.7125 -29.7125 -10.7912 -10.7912 -9.3892 -9.3892 -9.3631 -9.3631 -2.1570 -2.1570 -2.1551 -2.1551 -1.3161 -1.3161 -1.3114 -1.3114 -1.2996 -1.2996 6.2283 6.2283 7.6014 7.6014 8.7703 8.7703 9.1003 9.1003 9.2619 9.2619 9.3758 9.3758 9.4414 9.4414 9.5594 9.5594 9.6056 9.6056 9.7229 9.7229 9.7611 9.7611 9.8819 9.8819 11.1020 11.1020 11.9911 11.9911 13.6581 13.6581 14.9327 14.9327 15.0835 15.0835 15.9195 15.9195 16.4181 16.4181 k = 0.4333 0.2502 0.4219 ( 2564 PWs) bands (ev): -29.7124 -29.7124 -10.7913 -10.7913 -9.3889 -9.3889 -9.3638 -9.3638 -2.1573 -2.1573 -2.1555 -2.1555 -1.3164 -1.3164 -1.3114 -1.3114 -1.3001 -1.3001 6.2406 6.2406 7.6462 7.6462 8.7402 8.7402 9.1107 9.1107 9.2608 9.2608 9.3711 9.3711 9.4450 9.4450 9.5611 9.5611 9.6118 9.6118 9.7258 9.7258 9.7656 9.7656 9.8877 9.8877 11.0285 11.0285 11.9843 11.9843 13.5610 13.5610 14.9146 14.9146 15.1207 15.1207 16.0548 16.0548 16.4066 16.4066 k = 0.4292 0.2478 0.4355 ( 2558 PWs) bands (ev): -29.7124 -29.7124 -10.7915 -10.7915 -9.3886 -9.3886 -9.3645 -9.3645 -2.1574 -2.1574 -2.1558 -2.1558 -1.3167 -1.3167 -1.3114 -1.3114 -1.3005 -1.3005 6.2533 6.2533 7.6925 7.6925 8.7085 8.7085 9.1215 9.1215 9.2599 9.2599 9.3667 9.3667 9.4493 9.4493 9.5623 9.5623 9.6183 9.6183 9.7295 9.7295 9.7700 9.7700 9.8938 9.8938 10.9574 10.9574 11.9769 11.9769 13.4658 13.4658 14.8988 14.8988 15.1551 15.1551 16.1941 16.1941 16.3897 16.3897 k = 0.4250 0.2454 0.4491 ( 2556 PWs) bands (ev): -29.7124 -29.7124 -10.7917 -10.7917 -9.3884 -9.3884 -9.3652 -9.3652 -2.1576 -2.1576 -2.1560 -2.1560 -1.3170 -1.3170 -1.3114 -1.3114 -1.3008 -1.3008 6.2664 6.2664 7.7398 7.7398 8.6754 8.6754 9.1326 9.1326 9.2591 9.2591 9.3625 9.3625 9.4538 9.4538 9.5632 9.5632 9.6249 9.6249 9.7338 9.7338 9.7743 9.7743 9.9003 9.9003 10.8889 10.8889 11.9689 11.9689 13.3731 13.3731 14.8858 14.8858 15.1875 15.1875 16.3281 16.3281 16.3736 16.3736 k = 0.4208 0.2430 0.4627 ( 2558 PWs) bands (ev): -29.7123 -29.7123 -10.7918 -10.7918 -9.3881 -9.3881 -9.3659 -9.3659 -2.1579 -2.1579 -2.1563 -2.1563 -1.3174 -1.3174 -1.3116 -1.3116 -1.3010 -1.3010 6.2797 6.2797 7.7879 7.7879 8.6413 8.6413 9.1437 9.1437 9.2585 9.2585 9.3585 9.3585 9.4585 9.4585 9.5638 9.5638 9.6319 9.6319 9.7387 9.7387 9.7783 9.7783 9.9069 9.9069 10.8233 10.8233 11.9603 11.9603 13.2834 13.2834 14.8757 14.8757 15.2184 15.2184 16.3296 16.3296 16.3871 16.3871 k = 0.4167 0.2406 0.4763 ( 2555 PWs) bands (ev): -29.7123 -29.7123 -10.7920 -10.7920 -9.3879 -9.3879 -9.3666 -9.3666 -2.1581 -2.1581 -2.1566 -2.1566 -1.3178 -1.3178 -1.3117 -1.3117 -1.3012 -1.3012 6.2930 6.2930 7.8363 7.8363 8.6065 8.6065 9.1547 9.1547 9.2583 9.2583 9.3548 9.3548 9.4633 9.4633 9.5643 9.5643 9.6395 9.6395 9.7443 9.7443 9.7821 9.7821 9.9135 9.9135 10.7611 10.7611 11.9510 11.9510 13.1969 13.1969 14.8689 14.8689 15.2483 15.2483 16.2933 16.2933 16.3579 16.3579 k = 0.4125 0.2382 0.4899 ( 2555 PWs) bands (ev): -29.7123 -29.7123 -10.7921 -10.7921 -9.3876 -9.3876 -9.3672 -9.3672 -2.1584 -2.1584 -2.1568 -2.1568 -1.3182 -1.3182 -1.3119 -1.3119 -1.3013 -1.3013 6.3063 6.3063 7.8845 7.8845 8.5713 8.5713 9.1652 9.1652 9.2587 9.2587 9.3514 9.3514 9.4678 9.4678 9.5647 9.5647 9.6477 9.6477 9.7503 9.7503 9.7857 9.7857 9.9200 9.9200 10.7025 10.7025 11.9411 11.9411 13.1140 13.1140 14.8654 14.8654 15.2773 15.2773 16.2513 16.2513 16.3270 16.3270 k = 0.4083 0.2358 0.5035 ( 2559 PWs) bands (ev): -29.7123 -29.7123 -10.7923 -10.7923 -9.3875 -9.3875 -9.3678 -9.3678 -2.1587 -2.1587 -2.1570 -2.1570 -1.3187 -1.3187 -1.3122 -1.3122 -1.3013 -1.3013 6.3193 6.3193 7.9317 7.9317 8.5365 8.5365 9.1751 9.1751 9.2597 9.2597 9.3485 9.3485 9.4719 9.4719 9.5651 9.5651 9.6569 9.6569 9.7567 9.7567 9.7891 9.7891 9.9261 9.9261 10.6479 10.6479 11.9307 11.9307 13.0350 13.0350 14.8652 14.8652 15.3054 15.3054 16.2058 16.2058 16.2941 16.2941 k = 0.4042 0.2333 0.5171 ( 2561 PWs) bands (ev): -29.7122 -29.7122 -10.7924 -10.7924 -9.3873 -9.3873 -9.3683 -9.3683 -2.1591 -2.1591 -2.1571 -2.1571 -1.3191 -1.3191 -1.3125 -1.3125 -1.3013 -1.3013 6.3317 6.3317 7.9770 7.9770 8.5026 8.5026 9.1840 9.1840 9.2615 9.2615 9.3461 9.3461 9.4753 9.4753 9.5656 9.5656 9.6672 9.6672 9.7634 9.7634 9.7927 9.7927 9.9315 9.9315 10.5981 10.5981 11.9197 11.9197 12.9601 12.9601 14.8686 14.8686 15.3326 15.3326 16.1582 16.1582 16.2591 16.2591 k = 0.4000 0.2309 0.5307 ( 2559 PWs) bands (ev): -29.7122 -29.7122 -10.7925 -10.7925 -9.3872 -9.3872 -9.3687 -9.3687 -2.1594 -2.1594 -2.1572 -2.1572 -1.3196 -1.3196 -1.3127 -1.3127 -1.3012 -1.3012 6.3434 6.3434 8.0194 8.0194 8.4709 8.4709 9.1917 9.1917 9.2642 9.2642 9.3445 9.3445 9.4780 9.4780 9.5663 9.5663 9.6786 9.6786 9.7702 9.7702 9.7966 9.7966 9.9362 9.9362 10.5533 10.5533 11.9081 11.9081 12.8893 12.8893 14.8754 14.8754 15.3584 15.3584 16.1096 16.1096 16.2221 16.2221 k = 0.3958 0.2285 0.5443 ( 2557 PWs) bands (ev): -29.7122 -29.7122 -10.7926 -10.7926 -9.3871 -9.3871 -9.3690 -9.3690 -2.1598 -2.1598 -2.1573 -2.1573 -1.3200 -1.3200 -1.3130 -1.3130 -1.3010 -1.3010 6.3541 6.3541 8.0569 8.0569 8.4429 8.4429 9.1980 9.1980 9.2677 9.2677 9.3437 9.3437 9.4799 9.4799 9.5671 9.5671 9.6909 9.6909 9.7770 9.7770 9.8010 9.8010 9.9398 9.9398 10.5143 10.5143 11.8960 11.8960 12.8229 12.8229 14.8857 14.8857 15.3826 15.3826 16.0612 16.0612 16.1833 16.1833 k = 0.3917 0.2261 0.5579 ( 2566 PWs) bands (ev): -29.7122 -29.7122 -10.7927 -10.7927 -9.3871 -9.3871 -9.3693 -9.3693 -2.1602 -2.1602 -2.1574 -2.1574 -1.3206 -1.3206 -1.3133 -1.3133 -1.3009 -1.3009 6.3633 6.3633 8.0873 8.0873 8.4211 8.4211 9.2029 9.2029 9.2718 9.2718 9.3439 9.3439 9.4809 9.4809 9.5679 9.5679 9.7036 9.7036 9.7838 9.7838 9.8060 9.8060 9.9426 9.9426 10.4816 10.4816 11.8835 11.8835 12.7607 12.7607 14.8994 14.8994 15.4044 15.4044 16.0145 16.0145 16.1429 16.1429 k = 0.3875 0.2237 0.5715 ( 2560 PWs) bands (ev): -29.7121 -29.7121 -10.7928 -10.7928 -9.3871 -9.3871 -9.3695 -9.3695 -2.1606 -2.1606 -2.1574 -2.1574 -1.3211 -1.3211 -1.3135 -1.3135 -1.3007 -1.3007 6.3708 6.3708 8.1075 8.1075 8.4086 8.4086 9.2066 9.2066 9.2762 9.2762 9.3454 9.3454 9.4810 9.4810 9.5688 9.5688 9.7160 9.7160 9.7910 9.7910 9.8119 9.8119 9.9448 9.9448 10.4558 10.4558 11.8705 11.8705 12.7030 12.7030 14.9166 14.9166 15.4228 15.4228 15.9710 15.9710 16.1014 16.1014 k = 0.3833 0.2213 0.5852 ( 2564 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3871 -9.3871 -9.3696 -9.3696 -2.1611 -2.1611 -2.1574 -2.1574 -1.3217 -1.3217 -1.3137 -1.3137 -1.3006 -1.3006 6.3762 6.3762 8.1152 8.1152 8.4076 8.4076 9.2093 9.2093 9.2803 9.2803 9.3481 9.3481 9.4804 9.4804 9.5694 9.5694 9.7267 9.7267 9.7985 9.7985 9.8187 9.8187 9.9475 9.9475 10.4370 10.4370 11.8572 11.8572 12.6495 12.6495 14.9371 14.9371 15.4364 15.4364 15.9327 15.9327 16.0589 16.0589 k = 0.3792 0.2189 0.5988 ( 2570 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3872 -9.3872 -9.3696 -9.3696 -2.1616 -2.1616 -2.1574 -2.1574 -1.3223 -1.3223 -1.3139 -1.3139 -1.3005 -1.3005 6.3790 6.3790 8.1107 8.1107 8.4183 8.4183 9.2112 9.2112 9.2840 9.2840 9.3520 9.3520 9.4792 9.4792 9.5698 9.5698 9.7347 9.7347 9.8055 9.8055 9.8265 9.8265 9.9524 9.9524 10.4254 10.4254 11.8435 11.8435 12.6002 12.6002 14.9607 14.9607 15.4436 15.4436 15.9017 15.9017 16.0159 16.0159 k = 0.3750 0.2165 0.6124 ( 2574 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3873 -9.3873 -9.3695 -9.3695 -2.1620 -2.1620 -2.1574 -2.1574 -1.3229 -1.3229 -1.3140 -1.3140 -1.3004 -1.3004 6.3788 6.3788 8.0968 8.0968 8.4379 8.4379 9.2127 9.2127 9.2874 9.2874 9.3567 9.3567 9.4776 9.4776 9.5699 9.5699 9.7397 9.7397 9.8104 9.8104 9.8357 9.8357 9.9618 9.9618 10.4207 10.4207 11.8295 11.8295 12.5550 12.5550 14.9875 14.9875 15.4431 15.4431 15.8800 15.8800 15.9729 15.9729 k = 0.6250-0.0722 0.4082 ( 2574 PWs) bands (ev): -29.7121 -29.7121 -10.7930 -10.7930 -9.3873 -9.3873 -9.3695 -9.3695 -2.1620 -2.1620 -2.1574 -2.1574 -1.3229 -1.3229 -1.3140 -1.3140 -1.3004 -1.3004 6.3788 6.3788 8.0968 8.0968 8.4379 8.4379 9.2127 9.2127 9.2874 9.2874 9.3567 9.3567 9.4776 9.4776 9.5699 9.5699 9.7397 9.7397 9.8104 9.8104 9.8357 9.8357 9.9618 9.9618 10.4207 10.4207 11.8295 11.8295 12.5550 12.5550 14.9875 14.9875 15.4431 15.4431 15.8800 15.8800 15.9729 15.9729 k = 0.6176-0.0849 0.4082 ( 2558 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3875 -9.3875 -9.3692 -9.3692 -2.1627 -2.1627 -2.1572 -2.1572 -1.3239 -1.3239 -1.3141 -1.3141 -1.3000 -1.3000 6.3740 6.3740 8.0675 8.0675 8.4778 8.4778 9.2146 9.2146 9.2923 9.2923 9.3664 9.3664 9.4744 9.4744 9.5693 9.5693 9.7433 9.7433 9.8124 9.8124 9.8539 9.8539 9.9933 9.9933 10.4188 10.4188 11.8052 11.8052 12.4806 12.4806 15.0362 15.0362 15.4355 15.4355 15.8462 15.8462 15.8987 15.8987 k = 0.6103-0.0976 0.4082 ( 2562 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3878 -9.3878 -9.3689 -9.3689 -2.1635 -2.1635 -2.1572 -2.1572 -1.3251 -1.3251 -1.3142 -1.3142 -1.2997 -1.2997 6.3669 6.3669 8.0401 8.0401 8.5165 8.5165 9.2157 9.2157 9.2958 9.2958 9.3770 9.3770 9.4710 9.4710 9.5677 9.5677 9.7413 9.7413 9.8101 9.8101 9.8724 9.8724 10.0421 10.0421 10.4169 10.4169 11.7821 11.7821 12.4096 12.4096 15.0824 15.0824 15.4297 15.4297 15.8029 15.8029 15.8283 15.8283 k = 0.6029-0.1104 0.4082 ( 2554 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3880 -9.3880 -9.3686 -9.3686 -2.1642 -2.1642 -2.1571 -2.1571 -1.3261 -1.3261 -1.3144 -1.3144 -1.2994 -1.2994 6.3580 6.3580 8.0147 8.0147 8.5532 8.5532 9.2164 9.2164 9.2986 9.2986 9.3876 9.3876 9.4677 9.4677 9.5655 9.5655 9.7336 9.7336 9.8083 9.8083 9.8907 9.8907 10.1036 10.1036 10.4155 10.4155 11.7601 11.7601 12.3419 12.3419 15.1260 15.1260 15.4254 15.4254 15.7496 15.7496 15.7629 15.7629 k = 0.5956-0.1231 0.4082 ( 2554 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3883 -9.3883 -9.3681 -9.3681 -2.1650 -2.1650 -2.1570 -2.1570 -1.3272 -1.3272 -1.3145 -1.3145 -1.2991 -1.2991 6.3478 6.3478 7.9912 7.9912 8.5876 8.5876 9.2166 9.2166 9.3009 9.3009 9.3976 9.3976 9.4647 9.4647 9.5628 9.5628 9.7210 9.7210 9.8083 9.8083 9.9090 9.9090 10.1742 10.1742 10.4146 10.4146 11.7393 11.7393 12.2772 12.2772 15.1670 15.1670 15.4224 15.4224 15.6889 15.6889 15.7010 15.7010 k = 0.5882-0.1358 0.4082 ( 2554 PWs) bands (ev): -29.7121 -29.7121 -10.7929 -10.7929 -9.3886 -9.3886 -9.3677 -9.3677 -2.1657 -2.1657 -2.1570 -2.1570 -1.3282 -1.3282 -1.3147 -1.3147 -1.2989 -1.2989 6.3369 6.3369 7.9695 7.9695 8.6195 8.6195 9.2165 9.2165 9.3033 9.3033 9.4063 9.4063 9.4623 9.4623 9.5598 9.5598 9.7052 9.7052 9.8097 9.8097 9.9269 9.9269 10.2509 10.2509 10.4154 10.4154 11.7196 11.7196 12.2152 12.2152 15.2050 15.2050 15.4205 15.4205 15.6259 15.6259 15.6388 15.6388 k = 0.5809-0.1486 0.4082 ( 2552 PWs) bands (ev): -29.7121 -29.7121 -10.7928 -10.7928 -9.3888 -9.3888 -9.3673 -9.3673 -2.1664 -2.1664 -2.1570 -2.1570 -1.3292 -1.3292 -1.3148 -1.3148 -1.2986 -1.2986 6.3256 6.3256 7.9498 7.9498 8.6488 8.6488 9.2162 9.2162 9.3057 9.3057 9.4133 9.4133 9.4608 9.4608 9.5567 9.5567 9.6879 9.6879 9.8121 9.8121 9.9446 9.9446 10.3274 10.3274 10.4221 10.4221 11.7010 11.7010 12.1554 12.1554 15.2400 15.2400 15.4191 15.4191 15.5585 15.5585 15.5807 15.5807 k = 0.5735-0.1613 0.4082 ( 2548 PWs) bands (ev): -29.7121 -29.7121 -10.7928 -10.7928 -9.3891 -9.3891 -9.3668 -9.3668 -2.1670 -2.1670 -2.1569 -2.1569 -1.3302 -1.3302 -1.3150 -1.3150 -1.2984 -1.2984 6.3143 6.3143 7.9318 7.9318 8.6754 8.6754 9.2158 9.2158 9.3084 9.3084 9.4181 9.4181 9.4603 9.4603 9.5535 9.5535 9.6702 9.6702 9.8148 9.8148 9.9617 9.9617 10.3790 10.3790 10.4583 10.4583 11.6835 11.6835 12.0977 12.0977 15.2717 15.2717 15.4168 15.4168 15.4872 15.4872 15.5293 15.5293 k = 0.5662-0.1741 0.4082 ( 2550 PWs) bands (ev): -29.7121 -29.7121 -10.7927 -10.7927 -9.3894 -9.3894 -9.3663 -9.3663 -2.1677 -2.1677 -2.1569 -2.1569 -1.3311 -1.3311 -1.3151 -1.3151 -1.2982 -1.2982 6.3033 6.3033 7.9157 7.9157 8.6994 8.6994 9.2152 9.2152 9.3112 9.3112 9.4208 9.4208 9.4607 9.4607 9.5506 9.5506 9.6526 9.6526 9.8176 9.8176 9.9781 9.9781 10.3915 10.3915 10.5364 10.5364 11.6671 11.6671 12.0417 12.0417 15.2997 15.2997 15.3995 15.3995 15.4274 15.4274 15.4858 15.4858 k = 0.5588-0.1868 0.4082 ( 2546 PWs) bands (ev): -29.7121 -29.7121 -10.7927 -10.7927 -9.3896 -9.3896 -9.3659 -9.3659 -2.1682 -2.1682 -2.1569 -2.1569 -1.3319 -1.3319 -1.3152 -1.3152 -1.2980 -1.2980 6.2929 6.2929 7.9013 7.9013 8.7208 8.7208 9.2146 9.2146 9.3144 9.3144 9.4216 9.4216 9.4614 9.4614 9.5480 9.5480 9.6360 9.6360 9.8203 9.8203 9.9936 9.9936 10.3940 10.3940 10.6265 10.6265 11.6515 11.6515 11.9872 11.9872 15.3161 15.3161 15.3417 15.3417 15.4077 15.4077 15.4568 15.4568 k = 0.5515-0.1995 0.4082 ( 2538 PWs) bands (ev): -29.7121 -29.7121 -10.7926 -10.7926 -9.3898 -9.3898 -9.3655 -9.3655 -2.1687 -2.1687 -2.1568 -2.1568 -1.3326 -1.3326 -1.3153 -1.3153 -1.2977 -1.2977 6.2832 6.2832 7.8887 7.8887 8.7396 8.7396 9.2140 9.2140 9.3179 9.3179 9.4213 9.4213 9.4616 9.4616 9.5461 9.5461 9.6207 9.6207 9.8229 9.8229 10.0079 10.0079 10.3943 10.3943 10.7191 10.7191 11.6365 11.6365 11.9339 11.9339 15.2588 15.2588 15.3477 15.3477 15.3830 15.3830 15.4472 15.4472 k = 0.5441-0.2123 0.4082 ( 2542 PWs) bands (ev): -29.7121 -29.7121 -10.7926 -10.7926 -9.3900 -9.3900 -9.3651 -9.3651 -2.1692 -2.1692 -2.1568 -2.1568 -1.3333 -1.3333 -1.3154 -1.3154 -1.2976 -1.2976 6.2745 6.2745 7.8778 7.8778 8.7559 8.7559 9.2134 9.2134 9.3216 9.3216 9.4204 9.4204 9.4607 9.4607 9.5449 9.5449 9.6070 9.6070 9.8251 9.8251 10.0207 10.0207 10.3940 10.3940 10.8114 10.8114 11.6218 11.6218 11.8821 11.8821 15.1924 15.1924 15.3438 15.3438 15.3744 15.3744 15.4470 15.4470 k = 0.5368-0.2250 0.4082 ( 2546 PWs) bands (ev): -29.7121 -29.7121 -10.7925 -10.7925 -9.3902 -9.3902 -9.3648 -9.3648 -2.1696 -2.1696 -2.1569 -2.1569 -1.3339 -1.3339 -1.3156 -1.3156 -1.2975 -1.2975 6.2669 6.2669 7.8686 7.8686 8.7698 8.7698 9.2127 9.2127 9.3255 9.3255 9.4192 9.4192 9.4585 9.4585 9.5446 9.5446 9.5949 9.5949 9.8270 9.8270 10.0321 10.0321 10.3935 10.3935 10.9015 10.9015 11.6066 11.6066 11.8326 11.8326 15.1318 15.1318 15.3193 15.3193 15.3858 15.3858 15.4499 15.4499 k = 0.5294-0.2377 0.4082 ( 2546 PWs) bands (ev): -29.7121 -29.7121 -10.7925 -10.7925 -9.3903 -9.3903 -9.3645 -9.3645 -2.1699 -2.1699 -2.1569 -2.1569 -1.3344 -1.3344 -1.3156 -1.3156 -1.2974 -1.2974 6.2605 6.2605 7.8611 7.8611 8.7812 8.7812 9.2122 9.2122 9.3293 9.3293 9.4180 9.4180 9.4552 9.4552 9.5454 9.5454 9.5848 9.5848 9.8286 9.8286 10.0416 10.0416 10.3930 10.3930 10.9874 10.9874 11.5896 11.5896 11.7868 11.7868 15.0793 15.0793 15.2967 15.2967 15.3962 15.3962 15.4540 15.4540 k = 0.5221-0.2505 0.4082 ( 2542 PWs) bands (ev): -29.7121 -29.7121 -10.7925 -10.7925 -9.3904 -9.3904 -9.3643 -9.3643 -2.1702 -2.1702 -2.1569 -2.1569 -1.3347 -1.3347 -1.3157 -1.3157 -1.2973 -1.2973 6.2555 6.2555 7.8554 7.8554 8.7900 8.7900 9.2117 9.2117 9.3330 9.3330 9.4170 9.4170 9.4514 9.4514 9.5471 9.5471 9.5763 9.5763 9.8299 9.8299 10.0493 10.0493 10.3925 10.3925 11.0663 11.0663 11.5694 11.5694 11.7477 11.7477 15.0365 15.0365 15.2786 15.2786 15.4039 15.4039 15.4584 15.4584 k = 0.5147-0.2632 0.4082 ( 2530 PWs) bands (ev): -29.7121 -29.7121 -10.7924 -10.7924 -9.3905 -9.3905 -9.3642 -9.3642 -2.1703 -2.1703 -2.1568 -2.1568 -1.3349 -1.3349 -1.3157 -1.3157 -1.2972 -1.2972 6.2518 6.2518 7.8512 7.8512 8.7965 8.7965 9.2113 9.2113 9.3361 9.3361 9.4162 9.4162 9.4479 9.4479 9.5495 9.5495 9.5694 9.5694 9.8308 9.8308 10.0550 10.0550 10.3922 10.3922 11.1341 11.1341 11.5457 11.5457 11.7185 11.7185 15.0050 15.0050 15.2655 15.2655 15.4090 15.4090 15.4621 15.4621 k = 0.5074-0.2759 0.4082 ( 2530 PWs) bands (ev): -29.7121 -29.7121 -10.7924 -10.7924 -9.3905 -9.3905 -9.3641 -9.3641 -2.1704 -2.1704 -2.1568 -2.1568 -1.3351 -1.3351 -1.3157 -1.3157 -1.2971 -1.2971 6.2496 6.2496 7.8487 7.8487 8.8004 8.8004 9.2110 9.2110 9.3382 9.3382 9.4156 9.4156 9.4454 9.4454 9.5524 9.5524 9.5640 9.5640 9.8312 9.8312 10.0586 10.0586 10.3920 10.3920 11.1831 11.1831 11.5233 11.5233 11.7012 11.7012 14.9856 14.9856 15.2576 15.2576 15.4118 15.4118 15.4646 15.4646 k = 0.5000-0.2887 0.4082 ( 2538 PWs) bands (ev): -29.7121 -29.7121 -10.7924 -10.7924 -9.3906 -9.3906 -9.3640 -9.3640 -2.1705 -2.1705 -2.1568 -2.1568 -1.3352 -1.3352 -1.3158 -1.3158 -1.2972 -1.2972 6.2489 6.2489 7.8479 7.8479 8.8016 8.8016 9.2109 9.2109 9.3390 9.3390 9.4153 9.4153 9.4445 9.4445 9.5542 9.5542 9.5612 9.5612 9.8312 9.8312 10.0597 10.0597 10.3918 10.3918 11.2018 11.2018 11.5134 11.5134 11.6955 11.6955 14.9791 14.9791 15.2550 15.2550 15.4127 15.4127 15.4655 15.4655 Writing output data file YInCu2.save init_run : 0.24s CPU 0.39s WALL ( 1 calls) electrons : 120.93s CPU 123.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 120.92s CPU 123.67s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 320 calls) cegterg : 107.70s CPU 109.18s WALL ( 329 calls) Called by sum_band: Called by *egterg: h_psi : 64.08s CPU 65.24s WALL ( 6114 calls) s_psi : 4.14s CPU 4.20s WALL ( 6114 calls) g_psi : 0.11s CPU 0.12s WALL ( 5465 calls) cdiaghg : 40.90s CPU 41.31s WALL ( 5785 calls) cegterg:over : 3.61s CPU 3.66s WALL ( 5465 calls) cegterg:upda : 2.35s CPU 2.41s WALL ( 5465 calls) cegterg:last : 1.71s CPU 1.77s WALL ( 969 calls) cdiaghg:chol : 2.25s CPU 2.24s WALL ( 5785 calls) cdiaghg:inve : 1.47s CPU 1.52s WALL ( 5785 calls) cdiaghg:para : 2.46s CPU 2.43s WALL ( 11570 calls) Called by h_psi: h_psi:vloc : 55.87s CPU 56.92s WALL ( 6114 calls) h_psi:vnl : 8.12s CPU 8.22s WALL ( 6114 calls) add_vuspsi : 4.71s CPU 4.59s WALL ( 6114 calls) General routines calbec : 3.40s CPU 3.61s WALL ( 6114 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 53.01s CPU 53.66s WALL ( 704032 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.15s WALL ( 640 calls) Parallel routines fft_scatter : 19.24s CPU 19.55s WALL ( 704055 calls) PWSCF : 2m15.44s CPU 2m32.30s WALL This run was terminated on: 17:33:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=