Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:30:12 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: ./Al2NiO4.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 71 41 12 2402 1057 159 Max 73 42 13 2407 1077 163 Sum 2587 1507 433 86547 38421 5817 bravais-lattice index = 14 lattice parameter (alat) = 10.7514 a.u. unit-cell volume = 878.7728 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 3 number of electrons = 80.00 number of Kohn-Sham states= 96 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.751371 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 O 6.00 15.99940 O( 1.00) Ni 10.00 58.69340 Ni( 1.00) Al 3.00 26.98150 Al( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( -0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( -0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.7500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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= 264 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 2) = ( 0.0125000 -0.0072169 0.0102062), wk = 0.0037879 k( 3) = ( 0.0250000 -0.0144338 0.0204124), wk = 0.0037879 k( 4) = ( 0.0375000 -0.0216506 0.0306186), wk = 0.0037879 k( 5) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0037879 k( 6) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0037879 k( 7) = ( 0.0750000 -0.0433013 0.0612372), wk = 0.0037879 k( 8) = ( 0.0875000 -0.0505181 0.0714435), wk = 0.0037879 k( 9) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0037879 k( 10) = ( 0.1125000 -0.0649519 0.0918559), wk = 0.0037879 k( 11) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0037879 k( 12) = ( 0.1375000 -0.0793857 0.1122683), wk = 0.0037879 k( 13) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0037879 k( 14) = ( 0.1625000 -0.0938194 0.1326807), wk = 0.0037879 k( 15) = ( 0.1750000 -0.1010363 0.1428869), wk = 0.0037879 k( 16) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0037879 k( 17) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0037879 k( 18) = ( 0.2125000 -0.1226869 0.1735055), wk = 0.0037879 k( 19) = ( 0.2250000 -0.1299038 0.1837117), wk = 0.0037879 k( 20) = ( 0.2375000 -0.1371207 0.1939179), wk = 0.0037879 k( 21) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0037879 k( 22) = ( 0.2625000 -0.1515544 0.2143304), wk = 0.0037879 k( 23) = ( 0.2750000 -0.1587713 0.2245366), wk = 0.0037879 k( 24) = ( 0.2875000 -0.1659882 0.2347428), wk = 0.0037879 k( 25) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0037879 k( 26) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0037879 k( 27) = ( 0.3250000 -0.1876388 0.2653614), wk = 0.0037879 k( 28) = ( 0.3375000 -0.1948557 0.2755676), wk = 0.0037879 k( 29) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0037879 k( 30) = ( 0.3625000 -0.2092895 0.2959800), wk = 0.0037879 k( 31) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0037879 k( 32) = ( 0.3875000 -0.2237232 0.3163924), wk = 0.0037879 k( 33) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0037879 k( 34) = ( 0.4125000 -0.2381570 0.3368048), wk = 0.0037879 k( 35) = ( 0.4250000 -0.2453739 0.3470110), wk = 0.0037879 k( 36) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0037879 k( 37) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0037879 k( 38) = ( 0.4625000 -0.2670245 0.3776297), wk = 0.0037879 k( 39) = ( 0.4750000 -0.2742414 0.3878359), wk = 0.0037879 k( 40) = ( 0.4875000 -0.2814583 0.3980421), wk = 0.0037879 k( 41) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0037879 k( 42) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0037879 k( 43) = ( 0.5000000 -0.2742414 0.4184545), wk = 0.0037879 k( 44) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0037879 k( 45) = ( 0.5000000 -0.2453739 0.4388669), wk = 0.0037879 k( 46) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0037879 k( 47) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0037879 k( 48) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0037879 k( 49) = ( 0.5000000 -0.1876388 0.4796917), wk = 0.0037879 k( 50) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0037879 k( 51) = ( 0.5000000 -0.1587713 0.5001042), wk = 0.0037879 k( 52) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0037879 k( 53) = ( 0.5000000 -0.1299038 0.5205166), wk = 0.0037879 k( 54) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0037879 k( 55) = ( 0.5000000 -0.1010363 0.5409290), wk = 0.0037879 k( 56) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0037879 k( 57) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0037879 k( 58) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0037879 k( 59) = ( 0.5000000 -0.0433013 0.5817538), wk = 0.0037879 k( 60) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0037879 k( 61) = ( 0.5000000 -0.0144338 0.6021662), wk = 0.0037879 k( 62) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0037879 k( 63) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0037879 k( 64) = ( 0.4910714 0.0154647 0.6123724), wk = 0.0037879 k( 65) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0037879 k( 66) = ( 0.4732143 0.0463942 0.6123724), wk = 0.0037879 k( 67) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0037879 k( 68) = ( 0.4553571 0.0773237 0.6123724), wk = 0.0037879 k( 69) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0037879 k( 70) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0037879 k( 71) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0037879 k( 72) = ( 0.4196429 0.1391826 0.6123724), wk = 0.0037879 k( 73) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0037879 k( 74) = ( 0.4017857 0.1701121 0.6123724), wk = 0.0037879 k( 75) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0037879 k( 76) = ( 0.3839286 0.2010416 0.6123724), wk = 0.0037879 k( 77) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0037879 k( 78) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0037879 k( 79) = ( 0.3660714 0.2113514 0.5977921), wk = 0.0037879 k( 80) = ( 0.3571429 0.2061965 0.5832118), wk = 0.0037879 k( 81) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0037879 k( 82) = ( 0.3392857 0.1958867 0.5540513), wk = 0.0037879 k( 83) = ( 0.3303571 0.1907318 0.5394710), wk = 0.0037879 k( 84) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0037879 k( 85) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0037879 k( 86) = ( 0.3035714 0.1752670 0.4957301), wk = 0.0037879 k( 87) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0037879 k( 88) = ( 0.2857143 0.1649572 0.4665695), wk = 0.0037879 k( 89) = ( 0.2767857 0.1598023 0.4519892), wk = 0.0037879 k( 90) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0037879 k( 91) = ( 0.2589286 0.1494925 0.4228286), wk = 0.0037879 k( 92) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0037879 k( 93) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0037879 k( 94) = ( 0.2321429 0.1340277 0.3790877), wk = 0.0037879 k( 95) = ( 0.2232143 0.1288728 0.3645074), wk = 0.0037879 k( 96) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0037879 k( 97) = ( 0.2053571 0.1185630 0.3353468), wk = 0.0037879 k( 98) = ( 0.1964286 0.1134081 0.3207665), wk = 0.0037879 k( 99) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0037879 k( 100) = ( 0.1785714 0.1030983 0.2916059), wk = 0.0037879 k( 101) = ( 0.1696429 0.0979434 0.2770256), wk = 0.0037879 k( 102) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0037879 k( 103) = ( 0.1517857 0.0876335 0.2478650), wk = 0.0037879 k( 104) = ( 0.1428571 0.0824786 0.2332847), wk = 0.0037879 k( 105) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0037879 k( 106) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0037879 k( 107) = ( 0.1160714 0.0670139 0.1895439), wk = 0.0037879 k( 108) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0037879 k( 109) = ( 0.0982143 0.0567040 0.1603833), wk = 0.0037879 k( 110) = ( 0.0892857 0.0515491 0.1458030), wk = 0.0037879 k( 111) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0037879 k( 112) = ( 0.0714286 0.0412393 0.1166424), wk = 0.0037879 k( 113) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0037879 k( 114) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0037879 k( 115) = ( 0.0446429 0.0257746 0.0729015), wk = 0.0037879 k( 116) = ( 0.0357143 0.0206197 0.0583212), wk = 0.0037879 k( 117) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0037879 k( 118) = ( 0.0178571 0.0103098 0.0291606), wk = 0.0037879 k( 119) = ( 0.0089286 0.0051549 0.0145803), wk = 0.0037879 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 122) = ( 0.0147059 0.0084904 0.0060037), wk = 0.0037879 k( 123) = ( 0.0294118 0.0169809 0.0120073), wk = 0.0037879 k( 124) = ( 0.0441177 0.0254713 0.0180110), wk = 0.0037879 k( 125) = ( 0.0588235 0.0339618 0.0240146), wk = 0.0037879 k( 126) = ( 0.0735294 0.0424522 0.0300183), wk = 0.0037879 k( 127) = ( 0.0882353 0.0509427 0.0360219), wk = 0.0037879 k( 128) = ( 0.1029412 0.0594331 0.0420256), wk = 0.0037879 k( 129) = ( 0.1176471 0.0679236 0.0480292), wk = 0.0037879 k( 130) = ( 0.1323529 0.0764140 0.0540329), wk = 0.0037879 k( 131) = ( 0.1470588 0.0849044 0.0600365), wk = 0.0037879 k( 132) = ( 0.1617647 0.0933949 0.0660402), wk = 0.0037879 k( 133) = ( 0.1764706 0.1018853 0.0720438), wk = 0.0037879 k( 134) = ( 0.1911765 0.1103758 0.0780475), wk = 0.0037879 k( 135) = ( 0.2058823 0.1188662 0.0840511), wk = 0.0037879 k( 136) = ( 0.2205882 0.1273567 0.0900548), wk = 0.0037879 k( 137) = ( 0.2352941 0.1358471 0.0960584), wk = 0.0037879 k( 138) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0037879 k( 139) = ( 0.2647059 0.1528280 0.1080657), wk = 0.0037879 k( 140) = ( 0.2794118 0.1613185 0.1140694), wk = 0.0037879 k( 141) = ( 0.2941177 0.1698089 0.1200730), wk = 0.0037879 k( 142) = ( 0.3088235 0.1782993 0.1260767), wk = 0.0037879 k( 143) = ( 0.3235294 0.1867898 0.1320803), wk = 0.0037879 k( 144) = ( 0.3382353 0.1952802 0.1380840), wk = 0.0037879 k( 145) = ( 0.3529412 0.2037707 0.1440876), wk = 0.0037879 k( 146) = ( 0.3676471 0.2122611 0.1500913), wk = 0.0037879 k( 147) = ( 0.3823529 0.2207516 0.1560949), wk = 0.0037879 k( 148) = ( 0.3970588 0.2292420 0.1620986), wk = 0.0037879 k( 149) = ( 0.4117647 0.2377325 0.1681022), wk = 0.0037879 k( 150) = ( 0.4264706 0.2462229 0.1741059), wk = 0.0037879 k( 151) = ( 0.4411765 0.2547134 0.1801095), wk = 0.0037879 k( 152) = ( 0.4558823 0.2632038 0.1861132), wk = 0.0037879 k( 153) = ( 0.4705882 0.2716942 0.1921168), wk = 0.0037879 k( 154) = ( 0.4852941 0.2801847 0.1981205), wk = 0.0037879 k( 155) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0037879 k( 156) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0037879 k( 157) = ( 0.5052083 0.2736400 0.2126293), wk = 0.0037879 k( 158) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0037879 k( 159) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0037879 k( 160) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0037879 k( 161) = ( 0.5260417 0.2134993 0.2466500), wk = 0.0037879 k( 162) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0037879 k( 163) = ( 0.5364583 0.1834290 0.2636604), wk = 0.0037879 k( 164) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0037879 k( 165) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0037879 k( 166) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0037879 k( 167) = ( 0.5572917 0.1232883 0.2976810), wk = 0.0037879 k( 168) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0037879 k( 169) = ( 0.5677083 0.0932180 0.3146914), wk = 0.0037879 k( 170) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0037879 k( 171) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0037879 k( 172) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0037879 k( 173) = ( 0.5885417 0.0330774 0.3487121), wk = 0.0037879 k( 174) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0037879 k( 175) = ( 0.5989583 0.0030070 0.3657224), wk = 0.0037879 k( 176) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0037879 k( 177) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0037879 k( 178) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0037879 k( 179) = ( 0.6197917 -0.0571336 0.3997431), wk = 0.0037879 k( 180) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0037879 k( 181) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0037879 k( 182) = ( 0.6160714 -0.0670139 0.4228286), wk = 0.0037879 k( 183) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0037879 k( 184) = ( 0.5982143 -0.0567040 0.4519892), wk = 0.0037879 k( 185) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0037879 k( 186) = ( 0.5803571 -0.0463942 0.4811498), wk = 0.0037879 k( 187) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0037879 k( 188) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0037879 k( 189) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0037879 k( 190) = ( 0.5446429 -0.0257746 0.5394710), wk = 0.0037879 k( 191) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0037879 k( 192) = ( 0.5267857 -0.0154647 0.5686316), wk = 0.0037879 k( 193) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0037879 k( 194) = ( 0.5089286 -0.0051549 0.5977921), wk = 0.0037879 k( 195) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0037879 k( 196) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0037879 k( 197) = ( 0.5000000 0.0103098 0.5977921), wk = 0.0037879 k( 198) = ( 0.5000000 0.0206196 0.5832118), wk = 0.0037879 k( 199) = ( 0.5000000 0.0309295 0.5686316), wk = 0.0037879 k( 200) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0037879 k( 201) = ( 0.5000000 0.0515491 0.5394710), wk = 0.0037879 k( 202) = ( 0.5000000 0.0618590 0.5248907), wk = 0.0037879 k( 203) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0037879 k( 204) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0037879 k( 205) = ( 0.5000000 0.0927884 0.4811498), wk = 0.0037879 k( 206) = ( 0.5000000 0.1030983 0.4665695), wk = 0.0037879 k( 207) = ( 0.5000000 0.1134081 0.4519892), wk = 0.0037879 k( 208) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0037879 k( 209) = ( 0.5000000 0.1340277 0.4228286), wk = 0.0037879 k( 210) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0037879 k( 211) = ( 0.5000000 0.1546474 0.3936680), wk = 0.0037879 k( 212) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0037879 k( 213) = ( 0.5000000 0.1752670 0.3645074), wk = 0.0037879 k( 214) = ( 0.5000000 0.1855769 0.3499271), wk = 0.0037879 k( 215) = ( 0.5000000 0.1958867 0.3353468), wk = 0.0037879 k( 216) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0037879 k( 217) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0037879 k( 218) = ( 0.5000000 0.2268162 0.2916059), wk = 0.0037879 k( 219) = ( 0.5000000 0.2371260 0.2770256), wk = 0.0037879 k( 220) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0037879 k( 221) = ( 0.5000000 0.2577457 0.2478650), wk = 0.0037879 k( 222) = ( 0.5000000 0.2680555 0.2332847), wk = 0.0037879 k( 223) = ( 0.5000000 0.2783653 0.2187044), wk = 0.0037879 k( 224) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0037879 k( 225) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0037879 k( 226) = ( 0.4947917 0.2856681 0.2211345), wk = 0.0037879 k( 227) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0037879 k( 228) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0037879 k( 229) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0037879 k( 230) = ( 0.4739583 0.2736400 0.2891759), wk = 0.0037879 k( 231) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0037879 k( 232) = ( 0.4635417 0.2676259 0.3231966), wk = 0.0037879 k( 233) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0037879 k( 234) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0037879 k( 235) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0037879 k( 236) = ( 0.4427083 0.2555978 0.3912379), wk = 0.0037879 k( 237) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0037879 k( 238) = ( 0.4322917 0.2495837 0.4252586), wk = 0.0037879 k( 239) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0037879 k( 240) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0037879 k( 241) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0037879 k( 242) = ( 0.4114583 0.2375556 0.4933000), wk = 0.0037879 k( 243) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0037879 k( 244) = ( 0.4010417 0.2315415 0.5273207), wk = 0.0037879 k( 245) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0037879 k( 246) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0037879 k( 247) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0037879 k( 248) = ( 0.3802083 0.2195134 0.5953621), wk = 0.0037879 k( 249) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0037879 k( 250) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0037879 k( 251) = ( 0.6160714 -0.0876335 0.4082483), wk = 0.0037879 k( 252) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0037879 k( 253) = ( 0.5982143 -0.1185630 0.4082483), wk = 0.0037879 k( 254) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0037879 k( 255) = ( 0.5803571 -0.1494925 0.4082483), wk = 0.0037879 k( 256) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0037879 k( 257) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0037879 k( 258) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0037879 k( 259) = ( 0.5446429 -0.2113514 0.4082483), wk = 0.0037879 k( 260) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0037879 k( 261) = ( 0.5267857 -0.2422809 0.4082483), wk = 0.0037879 k( 262) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0037879 k( 263) = ( 0.5089286 -0.2732104 0.4082483), wk = 0.0037879 k( 264) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0037879 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 2) = ( 0.0125000 -0.0000000 0.0125000), wk = 0.0037879 k( 3) = ( 0.0250000 -0.0000000 0.0250000), wk = 0.0037879 k( 4) = ( 0.0375000 0.0000000 0.0375000), wk = 0.0037879 k( 5) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0037879 k( 6) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0037879 k( 7) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0037879 k( 8) = ( 0.0875000 0.0000000 0.0875000), wk = 0.0037879 k( 9) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0037879 k( 10) = ( 0.1125000 0.0000000 0.1125000), wk = 0.0037879 k( 11) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0037879 k( 12) = ( 0.1375000 0.0000000 0.1375000), wk = 0.0037879 k( 13) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0037879 k( 14) = ( 0.1625000 0.0000000 0.1625000), wk = 0.0037879 k( 15) = ( 0.1750000 0.0000000 0.1750000), wk = 0.0037879 k( 16) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0037879 k( 17) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0037879 k( 18) = ( 0.2125000 -0.0000000 0.2125000), wk = 0.0037879 k( 19) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0037879 k( 20) = ( 0.2375000 0.0000000 0.2375000), wk = 0.0037879 k( 21) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0037879 k( 22) = ( 0.2625000 0.0000000 0.2625000), wk = 0.0037879 k( 23) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0037879 k( 24) = ( 0.2875000 0.0000000 0.2875000), wk = 0.0037879 k( 25) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0037879 k( 26) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0037879 k( 27) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0037879 k( 28) = ( 0.3375000 -0.0000000 0.3375000), wk = 0.0037879 k( 29) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0037879 k( 30) = ( 0.3625000 0.0000000 0.3625000), wk = 0.0037879 k( 31) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0037879 k( 32) = ( 0.3875000 0.0000000 0.3875000), wk = 0.0037879 k( 33) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0037879 k( 34) = ( 0.4125000 0.0000000 0.4125000), wk = 0.0037879 k( 35) = ( 0.4250000 -0.0000000 0.4250000), wk = 0.0037879 k( 36) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0037879 k( 37) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0037879 k( 38) = ( 0.4625000 -0.0000000 0.4625000), wk = 0.0037879 k( 39) = ( 0.4750000 0.0000000 0.4750000), wk = 0.0037879 k( 40) = ( 0.4875000 -0.0000000 0.4875000), wk = 0.0037879 k( 41) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037879 k( 42) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037879 k( 43) = ( 0.5000000 0.0125000 0.5125000), wk = 0.0037879 k( 44) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0037879 k( 45) = ( 0.5000000 0.0375000 0.5375000), wk = 0.0037879 k( 46) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0037879 k( 47) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0037879 k( 48) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0037879 k( 49) = ( 0.5000000 0.0875000 0.5875000), wk = 0.0037879 k( 50) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0037879 k( 51) = ( 0.5000000 0.1125000 0.6125000), wk = 0.0037879 k( 52) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0037879 k( 53) = ( 0.5000000 0.1375000 0.6375000), wk = 0.0037879 k( 54) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0037879 k( 55) = ( 0.5000000 0.1625000 0.6625000), wk = 0.0037879 k( 56) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0037879 k( 57) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0037879 k( 58) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0037879 k( 59) = ( 0.5000000 0.2125000 0.7125000), wk = 0.0037879 k( 60) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0037879 k( 61) = ( 0.5000000 0.2375000 0.7375000), wk = 0.0037879 k( 62) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0037879 k( 63) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0037879 k( 64) = ( 0.4910714 0.2589286 0.7500000), wk = 0.0037879 k( 65) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0037879 k( 66) = ( 0.4732143 0.2767857 0.7500000), wk = 0.0037879 k( 67) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0037879 k( 68) = ( 0.4553571 0.2946429 0.7500000), wk = 0.0037879 k( 69) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0037879 k( 70) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0037879 k( 71) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0037879 k( 72) = ( 0.4196429 0.3303571 0.7500000), wk = 0.0037879 k( 73) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0037879 k( 74) = ( 0.4017857 0.3482143 0.7500000), wk = 0.0037879 k( 75) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0037879 k( 76) = ( 0.3839286 0.3660714 0.7500000), wk = 0.0037879 k( 77) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0037879 k( 78) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0037879 k( 79) = ( 0.3660714 0.3660714 0.7321429), wk = 0.0037879 k( 80) = ( 0.3571429 0.3571429 0.7142857), wk = 0.0037879 k( 81) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0037879 k( 82) = ( 0.3392857 0.3392857 0.6785714), wk = 0.0037879 k( 83) = ( 0.3303571 0.3303571 0.6607143), wk = 0.0037879 k( 84) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0037879 k( 85) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0037879 k( 86) = ( 0.3035714 0.3035714 0.6071429), wk = 0.0037879 k( 87) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0037879 k( 88) = ( 0.2857143 0.2857143 0.5714286), wk = 0.0037879 k( 89) = ( 0.2767857 0.2767857 0.5535714), wk = 0.0037879 k( 90) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0037879 k( 91) = ( 0.2589286 0.2589286 0.5178571), wk = 0.0037879 k( 92) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0037879 k( 93) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0037879 k( 94) = ( 0.2321429 0.2321429 0.4642857), wk = 0.0037879 k( 95) = ( 0.2232143 0.2232143 0.4464286), wk = 0.0037879 k( 96) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0037879 k( 97) = ( 0.2053571 0.2053571 0.4107143), wk = 0.0037879 k( 98) = ( 0.1964286 0.1964286 0.3928571), wk = 0.0037879 k( 99) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0037879 k( 100) = ( 0.1785714 0.1785714 0.3571429), wk = 0.0037879 k( 101) = ( 0.1696429 0.1696429 0.3392857), wk = 0.0037879 k( 102) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0037879 k( 103) = ( 0.1517857 0.1517857 0.3035714), wk = 0.0037879 k( 104) = ( 0.1428571 0.1428571 0.2857143), wk = 0.0037879 k( 105) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0037879 k( 106) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0037879 k( 107) = ( 0.1160714 0.1160714 0.2321429), wk = 0.0037879 k( 108) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0037879 k( 109) = ( 0.0982143 0.0982143 0.1964286), wk = 0.0037879 k( 110) = ( 0.0892857 0.0892857 0.1785714), wk = 0.0037879 k( 111) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0037879 k( 112) = ( 0.0714286 0.0714286 0.1428571), wk = 0.0037879 k( 113) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0037879 k( 114) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0037879 k( 115) = ( 0.0446429 0.0446429 0.0892857), wk = 0.0037879 k( 116) = ( 0.0357143 0.0357143 0.0714286), wk = 0.0037879 k( 117) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0037879 k( 118) = ( 0.0178571 0.0178571 0.0357143), wk = 0.0037879 k( 119) = ( 0.0089286 0.0089286 0.0178571), wk = 0.0037879 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 122) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0037879 k( 123) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0037879 k( 124) = ( 0.0441177 0.0441177 0.0441176), wk = 0.0037879 k( 125) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0037879 k( 126) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0037879 k( 127) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0037879 k( 128) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0037879 k( 129) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0037879 k( 130) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0037879 k( 131) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0037879 k( 132) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0037879 k( 133) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0037879 k( 134) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0037879 k( 135) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0037879 k( 136) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0037879 k( 137) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0037879 k( 138) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037879 k( 139) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0037879 k( 140) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0037879 k( 141) = ( 0.2941177 0.2941177 0.2941176), wk = 0.0037879 k( 142) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0037879 k( 143) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0037879 k( 144) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0037879 k( 145) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0037879 k( 146) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0037879 k( 147) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0037879 k( 148) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0037879 k( 149) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0037879 k( 150) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0037879 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0037879 k( 152) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0037879 k( 153) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0037879 k( 154) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0037879 k( 155) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037879 k( 156) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037879 k( 157) = ( 0.5052083 0.4895833 0.5052083), wk = 0.0037879 k( 158) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0037879 k( 159) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0037879 k( 160) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0037879 k( 161) = ( 0.5260417 0.4479167 0.5260417), wk = 0.0037879 k( 162) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0037879 k( 163) = ( 0.5364583 0.4270833 0.5364583), wk = 0.0037879 k( 164) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0037879 k( 165) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0037879 k( 166) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0037879 k( 167) = ( 0.5572917 0.3854167 0.5572917), wk = 0.0037879 k( 168) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0037879 k( 169) = ( 0.5677083 0.3645833 0.5677083), wk = 0.0037879 k( 170) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0037879 k( 171) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0037879 k( 172) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0037879 k( 173) = ( 0.5885417 0.3229167 0.5885417), wk = 0.0037879 k( 174) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0037879 k( 175) = ( 0.5989583 0.3020833 0.5989583), wk = 0.0037879 k( 176) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0037879 k( 177) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0037879 k( 178) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0037879 k( 179) = ( 0.6197917 0.2604167 0.6197917), wk = 0.0037879 k( 180) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0037879 k( 181) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0037879 k( 182) = ( 0.6160714 0.2500000 0.6339286), wk = 0.0037879 k( 183) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0037879 k( 184) = ( 0.5982143 0.2500000 0.6517857), wk = 0.0037879 k( 185) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0037879 k( 186) = ( 0.5803571 0.2500000 0.6696429), wk = 0.0037879 k( 187) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0037879 k( 188) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0037879 k( 189) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0037879 k( 190) = ( 0.5446429 0.2500000 0.7053571), wk = 0.0037879 k( 191) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0037879 k( 192) = ( 0.5267857 0.2500000 0.7232143), wk = 0.0037879 k( 193) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0037879 k( 194) = ( 0.5089286 0.2500000 0.7410714), wk = 0.0037879 k( 195) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0037879 k( 196) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0037879 k( 197) = ( 0.5000000 0.2589286 0.7410714), wk = 0.0037879 k( 198) = ( 0.5000000 0.2678571 0.7321429), wk = 0.0037879 k( 199) = ( 0.5000000 0.2767857 0.7232143), wk = 0.0037879 k( 200) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0037879 k( 201) = ( 0.5000000 0.2946429 0.7053571), wk = 0.0037879 k( 202) = ( 0.5000000 0.3035714 0.6964286), wk = 0.0037879 k( 203) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0037879 k( 204) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0037879 k( 205) = ( 0.5000000 0.3303571 0.6696429), wk = 0.0037879 k( 206) = ( 0.5000000 0.3392857 0.6607143), wk = 0.0037879 k( 207) = ( 0.5000000 0.3482143 0.6517857), wk = 0.0037879 k( 208) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0037879 k( 209) = ( 0.5000000 0.3660714 0.6339286), wk = 0.0037879 k( 210) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0037879 k( 211) = ( 0.5000000 0.3839286 0.6160714), wk = 0.0037879 k( 212) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0037879 k( 213) = ( 0.5000000 0.4017857 0.5982143), wk = 0.0037879 k( 214) = ( 0.5000000 0.4107143 0.5892857), wk = 0.0037879 k( 215) = ( 0.5000000 0.4196429 0.5803571), wk = 0.0037879 k( 216) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0037879 k( 217) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0037879 k( 218) = ( 0.5000000 0.4464286 0.5535714), wk = 0.0037879 k( 219) = ( 0.5000000 0.4553571 0.5446429), wk = 0.0037879 k( 220) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0037879 k( 221) = ( 0.5000000 0.4732143 0.5267857), wk = 0.0037879 k( 222) = ( 0.5000000 0.4821429 0.5178571), wk = 0.0037879 k( 223) = ( 0.5000000 0.4910714 0.5089286), wk = 0.0037879 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037879 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037879 k( 226) = ( 0.4947917 0.4947917 0.5104167), wk = 0.0037879 k( 227) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0037879 k( 228) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0037879 k( 229) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0037879 k( 230) = ( 0.4739583 0.4739583 0.5520833), wk = 0.0037879 k( 231) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0037879 k( 232) = ( 0.4635417 0.4635417 0.5729167), wk = 0.0037879 k( 233) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0037879 k( 234) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0037879 k( 235) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0037879 k( 236) = ( 0.4427083 0.4427083 0.6145833), wk = 0.0037879 k( 237) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0037879 k( 238) = ( 0.4322917 0.4322917 0.6354167), wk = 0.0037879 k( 239) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0037879 k( 240) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0037879 k( 241) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0037879 k( 242) = ( 0.4114583 0.4114583 0.6770833), wk = 0.0037879 k( 243) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0037879 k( 244) = ( 0.4010417 0.4010417 0.6979167), wk = 0.0037879 k( 245) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0037879 k( 246) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0037879 k( 247) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0037879 k( 248) = ( 0.3802083 0.3802083 0.7395833), wk = 0.0037879 k( 249) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0037879 k( 250) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0037879 k( 251) = ( 0.6160714 0.2321429 0.6160714), wk = 0.0037879 k( 252) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0037879 k( 253) = ( 0.5982143 0.1964286 0.5982143), wk = 0.0037879 k( 254) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0037879 k( 255) = ( 0.5803571 0.1607143 0.5803571), wk = 0.0037879 k( 256) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0037879 k( 257) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0037879 k( 258) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0037879 k( 259) = ( 0.5446429 0.0892857 0.5446429), wk = 0.0037879 k( 260) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0037879 k( 261) = ( 0.5267857 0.0535714 0.5267857), wk = 0.0037879 k( 262) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0037879 k( 263) = ( 0.5089286 0.0178571 0.5089286), wk = 0.0037879 k( 264) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037879 Dense grid: 86547 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 38421 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 272, 96) NL pseudopotentials 0.66 Mb ( 136, 316) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2403) G-vector shells 0.00 Mb ( 557) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.59 Mb ( 272, 384) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.93 Mb ( 316, 2, 96) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Al2NiO4.save/charge-density.dat Starting wfc are 132 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 7.4 secs Computing kpt #: 4 total cpu time spent up to now is 9.0 secs Computing kpt #: 5 total cpu time spent up to now is 10.5 secs Computing kpt #: 6 total cpu time spent up to now is 12.1 secs Computing kpt #: 7 total cpu time spent up to now is 13.7 secs Computing kpt #: 8 total cpu time spent up to now is 15.3 secs Computing kpt #: 9 total cpu time spent up to now is 16.9 secs Computing kpt #: 10 total cpu time spent up to now is 18.5 secs Computing kpt #: 11 total cpu time spent up to now is 20.2 secs Computing kpt #: 12 total cpu time spent up to now is 21.8 secs Computing kpt #: 13 total cpu time spent up to now is 23.4 secs Computing kpt #: 14 total cpu time spent up to now is 25.0 secs Computing kpt #: 15 total cpu time spent up to now is 26.5 secs Computing kpt #: 16 total cpu time spent up to now is 28.1 secs Computing kpt #: 17 total cpu time spent up to now is 29.7 secs Computing kpt #: 18 total cpu time spent up to now is 31.3 secs Computing kpt #: 19 total cpu time spent up to now is 32.9 secs Computing kpt #: 20 total cpu time spent up to now is 34.5 secs Computing kpt #: 21 total cpu time spent up to now is 36.1 secs Computing kpt #: 22 total cpu time spent up to now is 37.7 secs Computing kpt #: 23 total cpu time spent up to now is 39.3 secs Computing kpt #: 24 total cpu time spent up to now is 40.9 secs Computing kpt #: 25 total cpu time spent up to now is 42.5 secs Computing kpt #: 26 total cpu time spent up to now is 44.1 secs Computing kpt #: 27 total cpu time spent up to now is 45.7 secs Computing kpt #: 28 total cpu time spent up to now is 47.3 secs Computing kpt #: 29 total cpu time spent up to now is 48.9 secs Computing kpt #: 30 total cpu time spent up to now is 50.4 secs Computing kpt #: 31 total cpu time spent up to now is 52.0 secs Computing kpt #: 32 total cpu time spent up to now is 53.4 secs Computing kpt #: 33 total cpu time spent up to now is 54.9 secs Computing kpt #: 34 total cpu time spent up to now is 56.4 secs Computing kpt #: 35 total cpu time spent up to now is 57.8 secs Computing kpt #: 36 total cpu time spent up to now is 59.3 secs Computing kpt #: 37 total cpu time spent up to now is 60.7 secs Computing kpt #: 38 total cpu time spent up to now is 62.1 secs Computing kpt #: 39 total cpu time spent up to now is 63.5 secs Computing kpt #: 40 total cpu time spent up to now is 65.0 secs Computing kpt #: 41 total cpu time spent up to now is 66.4 secs Computing kpt #: 42 total cpu time spent up to now is 67.8 secs Computing kpt #: 43 total cpu time spent up to now is 69.2 secs Computing kpt #: 44 total cpu time spent up to now is 70.6 secs Computing kpt #: 45 total cpu time spent up to now is 72.0 secs Computing kpt #: 46 total cpu time spent up to now is 73.4 secs Computing kpt #: 47 total cpu time spent up to now is 74.9 secs Computing kpt #: 48 total cpu time spent up to now is 76.3 secs Computing kpt #: 49 total cpu time spent up to now is 77.7 secs Computing kpt #: 50 total cpu time spent up to now is 79.1 secs Computing kpt #: 51 total cpu time spent up to now is 80.6 secs Computing kpt #: 52 total cpu time spent up to now is 82.0 secs Computing kpt #: 53 total cpu time spent up to now is 83.5 secs Computing kpt #: 54 total cpu time spent up to now is 85.1 secs Computing kpt #: 55 total cpu time spent up to now is 86.7 secs Computing kpt #: 56 total cpu time spent up to now is 88.2 secs Computing kpt #: 57 total cpu time spent up to now is 89.8 secs Computing kpt #: 58 total cpu time spent up to now is 91.4 secs Computing kpt #: 59 total cpu time spent up to now is 93.0 secs Computing kpt #: 60 total cpu time spent up to now is 94.6 secs Computing kpt #: 61 total cpu time spent up to now is 96.1 secs Computing kpt #: 62 total cpu time spent up to now is 97.5 secs Computing kpt #: 63 total cpu time spent up to now is 98.9 secs Computing kpt #: 64 total cpu time spent up to now is 100.4 secs Computing kpt #: 65 total cpu time spent up to now is 101.8 secs Computing kpt #: 66 total cpu time spent up to now is 103.2 secs Computing kpt #: 67 total cpu time spent up to now is 104.7 secs Computing kpt #: 68 total cpu time spent up to now is 106.1 secs Computing kpt #: 69 total cpu time spent up to now is 107.6 secs Computing kpt #: 70 total cpu time spent up to now is 109.0 secs Computing kpt #: 71 total cpu time spent up to now is 110.4 secs Computing kpt #: 72 total cpu time spent up to now is 111.8 secs Computing kpt #: 73 total cpu time spent up to now is 113.3 secs Computing kpt #: 74 total cpu time spent up to now is 114.9 secs Computing kpt #: 75 total cpu time spent up to now is 116.3 secs Computing kpt #: 76 total cpu time spent up to now is 117.7 secs Computing kpt #: 77 total cpu time spent up to now is 119.2 secs Computing kpt #: 78 total cpu time spent up to now is 120.7 secs Computing kpt #: 79 total cpu time spent up to now is 122.4 secs Computing kpt #: 80 total cpu time spent up to now is 124.2 secs Computing kpt #: 81 total cpu time spent up to now is 125.8 secs Computing kpt #: 82 total cpu time spent up to now is 127.5 secs Computing kpt #: 83 total cpu time spent up to now is 129.2 secs Computing kpt #: 84 total cpu time spent up to now is 130.8 secs Computing kpt #: 85 total cpu time spent up to now is 132.4 secs Computing kpt #: 86 total cpu time spent up to now is 134.0 secs Computing kpt #: 87 total cpu time spent up to now is 135.5 secs Computing kpt #: 88 total cpu time spent up to now is 137.1 secs Computing kpt #: 89 total cpu time spent up to now is 138.7 secs Computing kpt #: 90 total cpu time spent up to now is 140.3 secs Computing kpt #: 91 total cpu time spent up to now is 141.8 secs Computing kpt #: 92 total cpu time spent up to now is 143.4 secs Computing kpt #: 93 total cpu time spent up to now is 145.0 secs Computing kpt #: 94 total cpu time spent up to now is 146.4 secs Computing kpt #: 95 total cpu time spent up to now is 147.9 secs Computing kpt #: 96 total cpu time spent up to now is 149.3 secs Computing kpt #: 97 total cpu time spent up to now is 150.8 secs Computing kpt #: 98 total cpu time spent up to now is 152.4 secs Computing kpt #: 99 total cpu time spent up to now is 153.8 secs Computing kpt #: 100 total cpu time spent up to now is 155.2 secs Computing kpt #: 101 total cpu time spent up to now is 156.6 secs Computing kpt #: 102 total cpu time spent up to now is 158.0 secs Computing kpt #: 103 total cpu time spent up to now is 159.4 secs Computing kpt #: 104 total cpu time spent up to now is 160.8 secs Computing kpt #: 105 total cpu time spent up to now is 162.2 secs Computing kpt #: 106 total cpu time spent up to now is 163.8 secs Computing kpt #: 107 total cpu time spent up to now is 165.3 secs Computing kpt #: 108 total cpu time spent up to now is 166.7 secs Computing kpt #: 109 total cpu time spent up to now is 168.2 secs Computing kpt #: 110 total cpu time spent up to now is 169.8 secs Computing kpt #: 111 total cpu time spent up to now is 171.1 secs Computing kpt #: 112 total cpu time spent up to now is 172.7 secs Computing kpt #: 113 total cpu time spent up to now is 174.2 secs Computing kpt #: 114 total cpu time spent up to now is 175.7 secs Computing kpt #: 115 total cpu time spent up to now is 177.3 secs Computing kpt #: 116 total cpu time spent up to now is 178.8 secs Computing kpt #: 117 total cpu time spent up to now is 180.4 secs Computing kpt #: 118 total cpu time spent up to now is 182.0 secs Computing kpt #: 119 total cpu time spent up to now is 183.6 secs Computing kpt #: 120 total cpu time spent up to now is 185.4 secs Computing kpt #: 121 total cpu time spent up to now is 187.0 secs Computing kpt #: 122 total cpu time spent up to now is 188.6 secs Computing kpt #: 123 total cpu time spent up to now is 190.2 secs Computing kpt #: 124 total cpu time spent up to now is 191.9 secs Computing kpt #: 125 total cpu time spent up to now is 193.7 secs Computing kpt #: 126 total cpu time spent up to now is 195.3 secs Computing kpt #: 127 total cpu time spent up to now is 196.9 secs Computing kpt #: 128 total cpu time spent up to now is 198.5 secs Computing kpt #: 129 total cpu time spent up to now is 200.1 secs Computing kpt #: 130 total cpu time spent up to now is 201.7 secs Computing kpt #: 131 total cpu time spent up to now is 203.3 secs Computing kpt #: 132 total cpu time spent up to now is 204.9 secs Computing kpt #: 133 total cpu time spent up to now is 206.5 secs Computing kpt #: 134 total cpu time spent up to now is 208.1 secs Computing kpt #: 135 total cpu time spent up to now is 209.8 secs Computing kpt #: 136 total cpu time spent up to now is 211.5 secs Computing kpt #: 137 total cpu time spent up to now is 213.2 secs Computing kpt #: 138 total cpu time spent up to now is 214.8 secs Computing kpt #: 139 total cpu time spent up to now is 216.5 secs Computing kpt #: 140 total cpu time spent up to now is 218.2 secs Computing kpt #: 141 total cpu time spent up to now is 219.9 secs Computing kpt #: 142 total cpu time spent up to now is 221.6 secs Computing kpt #: 143 total cpu time spent up to now is 223.2 secs Computing kpt #: 144 total cpu time spent up to now is 224.9 secs Computing kpt #: 145 total cpu time spent up to now is 226.5 secs Computing kpt #: 146 total cpu time spent up to now is 228.1 secs Computing kpt #: 147 total cpu time spent up to now is 229.7 secs Computing kpt #: 148 total cpu time spent up to now is 231.3 secs Computing kpt #: 149 total cpu time spent up to now is 233.0 secs Computing kpt #: 150 total cpu time spent up to now is 234.6 secs Computing kpt #: 151 total cpu time spent up to now is 236.2 secs Computing kpt #: 152 total cpu time spent up to now is 238.0 secs Computing kpt #: 153 total cpu time spent up to now is 239.7 secs Computing kpt #: 154 total cpu time spent up to now is 241.3 secs Computing kpt #: 155 total cpu time spent up to now is 242.9 secs Computing kpt #: 156 total cpu time spent up to now is 244.5 secs Computing kpt #: 157 total cpu time spent up to now is 246.1 secs Computing kpt #: 158 total cpu time spent up to now is 247.7 secs Computing kpt #: 159 total cpu time spent up to now is 249.3 secs Computing kpt #: 160 total cpu time spent up to now is 250.9 secs Computing kpt #: 161 total cpu time spent up to now is 252.5 secs Computing kpt #: 162 total cpu time spent up to now is 254.0 secs Computing kpt #: 163 total cpu time spent up to now is 255.6 secs Computing kpt #: 164 total cpu time spent up to now is 257.2 secs Computing kpt #: 165 total cpu time spent up to now is 258.8 secs Computing kpt #: 166 total cpu time spent up to now is 260.4 secs Computing kpt #: 167 total cpu time spent up to now is 262.0 secs Computing kpt #: 168 total cpu time spent up to now is 263.6 secs Computing kpt #: 169 total cpu time spent up to now is 265.2 secs Computing kpt #: 170 total cpu time spent up to now is 266.8 secs Computing kpt #: 171 total cpu time spent up to now is 268.3 secs Computing kpt #: 172 total cpu time spent up to now is 269.9 secs Computing kpt #: 173 total cpu time spent up to now is 271.5 secs Computing kpt #: 174 total cpu time spent up to now is 273.1 secs Computing kpt #: 175 total cpu time spent up to now is 274.8 secs Computing kpt #: 176 total cpu time spent up to now is 276.4 secs Computing kpt #: 177 total cpu time spent up to now is 278.0 secs Computing kpt #: 178 total cpu time spent up to now is 279.7 secs Computing kpt #: 179 total cpu time spent up to now is 281.3 secs Computing kpt #: 180 total cpu time spent up to now is 282.8 secs Computing kpt #: 181 total cpu time spent up to now is 284.2 secs Computing kpt #: 182 total cpu time spent up to now is 285.8 secs Computing kpt #: 183 total cpu time spent up to now is 287.2 secs Computing kpt #: 184 total cpu time spent up to now is 288.7 secs Computing kpt #: 185 total cpu time spent up to now is 290.1 secs Computing kpt #: 186 total cpu time spent up to now is 291.5 secs Computing kpt #: 187 total cpu time spent up to now is 293.0 secs Computing kpt #: 188 total cpu time spent up to now is 294.4 secs Computing kpt #: 189 total cpu time spent up to now is 295.9 secs Computing kpt #: 190 total cpu time spent up to now is 297.3 secs Computing kpt #: 191 total cpu time spent up to now is 298.8 secs Computing kpt #: 192 total cpu time spent up to now is 300.2 secs Computing kpt #: 193 total cpu time spent up to now is 301.6 secs Computing kpt #: 194 total cpu time spent up to now is 303.1 secs Computing kpt #: 195 total cpu time spent up to now is 304.5 secs Computing kpt #: 196 total cpu time spent up to now is 305.9 secs Computing kpt #: 197 total cpu time spent up to now is 307.3 secs Computing kpt #: 198 total cpu time spent up to now is 308.8 secs Computing kpt #: 199 total cpu time spent up to now is 310.2 secs Computing kpt #: 200 total cpu time spent up to now is 311.8 secs Computing kpt #: 201 total cpu time spent up to now is 313.3 secs Computing kpt #: 202 total cpu time spent up to now is 314.8 secs Computing kpt #: 203 total cpu time spent up to now is 316.4 secs Computing kpt #: 204 total cpu time spent up to now is 317.9 secs Computing kpt #: 205 total cpu time spent up to now is 319.5 secs Computing kpt #: 206 total cpu time spent up to now is 321.1 secs Computing kpt #: 207 total cpu time spent up to now is 322.7 secs Computing kpt #: 208 total cpu time spent up to now is 324.3 secs Computing kpt #: 209 total cpu time spent up to now is 325.9 secs Computing kpt #: 210 total cpu time spent up to now is 327.5 secs Computing kpt #: 211 total cpu time spent up to now is 329.2 secs Computing kpt #: 212 total cpu time spent up to now is 330.8 secs Computing kpt #: 213 total cpu time spent up to now is 332.4 secs Computing kpt #: 214 total cpu time spent up to now is 334.0 secs Computing kpt #: 215 total cpu time spent up to now is 335.6 secs Computing kpt #: 216 total cpu time spent up to now is 337.2 secs Computing kpt #: 217 total cpu time spent up to now is 338.8 secs Computing kpt #: 218 total cpu time spent up to now is 340.3 secs Computing kpt #: 219 total cpu time spent up to now is 341.9 secs Computing kpt #: 220 total cpu time spent up to now is 343.6 secs Computing kpt #: 221 total cpu time spent up to now is 345.2 secs Computing kpt #: 222 total cpu time spent up to now is 346.8 secs Computing kpt #: 223 total cpu time spent up to now is 348.4 secs Computing kpt #: 224 total cpu time spent up to now is 350.0 secs Computing kpt #: 225 total cpu time spent up to now is 351.6 secs Computing kpt #: 226 total cpu time spent up to now is 353.2 secs Computing kpt #: 227 total cpu time spent up to now is 354.8 secs Computing kpt #: 228 total cpu time spent up to now is 356.4 secs Computing kpt #: 229 total cpu time spent up to now is 357.9 secs Computing kpt #: 230 total cpu time spent up to now is 359.5 secs Computing kpt #: 231 total cpu time spent up to now is 361.1 secs Computing kpt #: 232 total cpu time spent up to now is 362.7 secs Computing kpt #: 233 total cpu time spent up to now is 364.3 secs Computing kpt #: 234 total cpu time spent up to now is 365.9 secs Computing kpt #: 235 total cpu time spent up to now is 367.5 secs Computing kpt #: 236 total cpu time spent up to now is 369.1 secs Computing kpt #: 237 total cpu time spent up to now is 370.7 secs Computing kpt #: 238 total cpu time spent up to now is 372.3 secs Computing kpt #: 239 total cpu time spent up to now is 373.9 secs Computing kpt #: 240 total cpu time spent up to now is 375.5 secs Computing kpt #: 241 total cpu time spent up to now is 377.1 secs Computing kpt #: 242 total cpu time spent up to now is 378.7 secs Computing kpt #: 243 total cpu time spent up to now is 380.3 secs Computing kpt #: 244 total cpu time spent up to now is 381.9 secs Computing kpt #: 245 total cpu time spent up to now is 383.5 secs Computing kpt #: 246 total cpu time spent up to now is 385.2 secs Computing kpt #: 247 total cpu time spent up to now is 386.8 secs Computing kpt #: 248 total cpu time spent up to now is 388.4 secs Computing kpt #: 249 total cpu time spent up to now is 389.8 secs Computing kpt #: 250 total cpu time spent up to now is 391.3 secs Computing kpt #: 251 total cpu time spent up to now is 392.9 secs Computing kpt #: 252 total cpu time spent up to now is 394.5 secs Computing kpt #: 253 total cpu time spent up to now is 396.1 secs Computing kpt #: 254 total cpu time spent up to now is 397.7 secs Computing kpt #: 255 total cpu time spent up to now is 399.3 secs Computing kpt #: 256 total cpu time spent up to now is 400.9 secs Computing kpt #: 257 total cpu time spent up to now is 402.4 secs Computing kpt #: 258 total cpu time spent up to now is 403.8 secs Computing kpt #: 259 total cpu time spent up to now is 405.2 secs Computing kpt #: 260 total cpu time spent up to now is 406.6 secs Computing kpt #: 261 total cpu time spent up to now is 408.0 secs Computing kpt #: 262 total cpu time spent up to now is 409.5 secs Computing kpt #: 263 total cpu time spent up to now is 410.8 secs Computing kpt #: 264 total cpu time spent up to now is 412.3 secs ethr = 1.25E-08, avg # of iterations = 22.1 total cpu time spent up to now is 412.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4813 PWs) bands (ev): -11.4072 -11.4072 -9.8358 -9.8358 -9.6408 -9.6408 -9.6352 -9.6352 -9.6352 -9.6352 -9.2392 -9.2392 -9.2336 -9.2336 -9.2335 -9.2335 0.8846 0.8846 1.4673 1.4673 1.4783 1.4783 1.4783 1.4783 1.5281 1.5281 2.0444 2.0444 2.0444 2.0444 4.1983 4.1983 4.1983 4.1983 4.2063 4.2063 4.5844 4.5844 4.5845 4.5845 4.5970 4.5970 5.4499 5.4499 5.4679 5.4679 5.4679 5.4679 5.6639 5.6639 5.6639 5.6639 6.0799 6.0799 6.0866 6.0866 6.0866 6.0866 6.4514 6.4514 6.4688 6.4688 6.4688 6.4688 8.6679 8.6679 8.6679 8.6679 8.8680 8.8680 8.8680 8.8680 9.6813 9.6813 9.6813 9.6813 9.7451 9.7451 10.2148 10.2148 10.2148 10.2148 10.2984 10.2984 12.2072 12.2072 16.0434 16.0434 16.0515 16.0515 16.0515 16.0515 16.0538 16.0538 16.0614 16.0614 k = 0.0125-0.0072 0.0102 ( 4769 PWs) bands (ev): -11.4066 -11.4066 -9.8361 -9.8361 -9.6409 -9.6409 -9.6353 -9.6353 -9.6353 -9.6353 -9.2393 -9.2393 -9.2339 -9.2339 -9.2334 -9.2334 0.8857 0.8857 1.4684 1.4684 1.4793 1.4793 1.4794 1.4794 1.5286 1.5286 2.0453 2.0453 2.0456 2.0456 4.1976 4.1976 4.1982 4.1982 4.2060 4.2060 4.5843 4.5843 4.5844 4.5844 4.5969 4.5969 5.4490 5.4490 5.4664 5.4664 5.4678 5.4678 5.6625 5.6625 5.6642 5.6642 6.0787 6.0787 6.0850 6.0850 6.0864 6.0864 6.4503 6.4503 6.4674 6.4674 6.4680 6.4680 8.6678 8.6678 8.6687 8.6687 8.8679 8.8679 8.8688 8.8688 9.6807 9.6807 9.6815 9.6815 9.7449 9.7449 10.2133 10.2133 10.2144 10.2144 10.2974 10.2974 12.2115 12.2115 16.0446 16.0446 16.0501 16.0501 16.0527 16.0527 16.0560 16.0560 16.0632 16.0632 k = 0.0250-0.0144 0.0204 ( 4785 PWs) bands (ev): -11.4046 -11.4046 -9.8371 -9.8371 -9.6412 -9.6412 -9.6357 -9.6357 -9.6356 -9.6356 -9.2402 -9.2402 -9.2348 -9.2348 -9.2332 -9.2332 0.8889 0.8889 1.4716 1.4716 1.4825 1.4825 1.4826 1.4826 1.5302 1.5302 2.0480 2.0480 2.0494 2.0494 4.1953 4.1953 4.1978 4.1978 4.2050 4.2050 4.5838 4.5838 4.5838 4.5838 4.5963 4.5963 5.4456 5.4456 5.4628 5.4628 5.4675 5.4675 5.6581 5.6581 5.6648 5.6648 6.0729 6.0729 6.0824 6.0824 6.0856 6.0856 6.4467 6.4467 6.4631 6.4631 6.4656 6.4656 8.6673 8.6673 8.6702 8.6702 8.8674 8.8674 8.8711 8.8711 9.6785 9.6785 9.6816 9.6816 9.7440 9.7440 10.2083 10.2083 10.2124 10.2124 10.2940 10.2940 12.2245 12.2245 16.0486 16.0486 16.0499 16.0499 16.0547 16.0547 16.0574 16.0574 16.0732 16.0732 k = 0.0375-0.0217 0.0306 ( 4785 PWs) bands (ev): -11.4014 -11.4014 -9.8388 -9.8388 -9.6418 -9.6418 -9.6364 -9.6364 -9.6362 -9.6362 -9.2426 -9.2426 -9.2353 -9.2353 -9.2327 -9.2327 0.8943 0.8943 1.4770 1.4770 1.4878 1.4878 1.4880 1.4880 1.5327 1.5327 2.0526 2.0526 2.0557 2.0557 4.1909 4.1909 4.1972 4.1972 4.2038 4.2038 4.5829 4.5829 4.5830 4.5830 4.5954 4.5954 5.4376 5.4376 5.4591 5.4591 5.4670 5.4670 5.6508 5.6508 5.6657 5.6657 6.0609 6.0609 6.0805 6.0805 6.0845 6.0845 6.4406 6.4406 6.4560 6.4560 6.4620 6.4620 8.6667 8.6667 8.6729 8.6729 8.8665 8.8665 8.8747 8.8747 9.6747 9.6747 9.6818 9.6818 9.7427 9.7427 10.1999 10.1999 10.2093 10.2093 10.2888 10.2888 12.2460 12.2460 16.0464 16.0464 16.0559 16.0559 16.0597 16.0597 16.0660 16.0660 16.0888 16.0888 k = 0.0500-0.0289 0.0408 ( 4801 PWs) bands (ev): -11.3969 -11.3969 -9.8411 -9.8411 -9.6427 -9.6427 -9.6373 -9.6373 -9.6370 -9.6370 -9.2467 -9.2467 -9.2352 -9.2352 -9.2321 -9.2321 0.9018 0.9018 1.4845 1.4845 1.4953 1.4953 1.4955 1.4955 1.5362 1.5362 2.0589 2.0589 2.0645 2.0645 4.1844 4.1844 4.1964 4.1964 4.2025 4.2025 4.5818 4.5818 4.5818 4.5818 4.5941 4.5941 5.4237 5.4237 5.4566 5.4566 5.4663 5.4663 5.6405 5.6405 5.6670 5.6670 6.0434 6.0434 6.0787 6.0787 6.0830 6.0830 6.4316 6.4316 6.4462 6.4462 6.4574 6.4574 8.6657 8.6657 8.6764 8.6764 8.8653 8.8653 8.8798 8.8798 9.6691 9.6691 9.6820 9.6820 9.7410 9.7410 10.1880 10.1880 10.2050 10.2050 10.2819 10.2819 12.2756 12.2756 16.0424 16.0424 16.0671 16.0671 16.0702 16.0702 16.0783 16.0783 16.1088 16.1088 k = 0.0625-0.0361 0.0510 ( 4789 PWs) bands (ev): -11.3911 -11.3911 -9.8441 -9.8441 -9.6437 -9.6437 -9.6384 -9.6384 -9.6380 -9.6380 -9.2524 -9.2524 -9.2346 -9.2346 -9.2313 -9.2313 0.9114 0.9114 1.4942 1.4942 1.5048 1.5048 1.5052 1.5052 1.5408 1.5408 2.0671 2.0671 2.0758 2.0758 4.1759 4.1759 4.1953 4.1953 4.2011 4.2011 4.5803 4.5803 4.5803 4.5803 4.5924 4.5924 5.4047 5.4047 5.4546 5.4546 5.4652 5.4652 5.6275 5.6275 5.6688 5.6688 6.0210 6.0210 6.0767 6.0767 6.0811 6.0811 6.4197 6.4197 6.4336 6.4336 6.4520 6.4520 8.6647 8.6647 8.6812 8.6812 8.8638 8.8638 8.8862 8.8862 9.6617 9.6617 9.6822 9.6822 9.7394 9.7394 10.1727 10.1727 10.1995 10.1995 10.2739 10.2739 12.3129 12.3129 16.0400 16.0400 16.0824 16.0824 16.0852 16.0852 16.0943 16.0943 16.1331 16.1331 k = 0.0750-0.0433 0.0612 ( 4785 PWs) bands (ev): -11.3840 -11.3840 -9.8479 -9.8479 -9.6450 -9.6450 -9.6398 -9.6398 -9.6392 -9.6392 -9.2594 -9.2594 -9.2338 -9.2338 -9.2304 -9.2304 0.9231 0.9231 1.5059 1.5059 1.5164 1.5164 1.5170 1.5170 1.5463 1.5463 2.0770 2.0770 2.0896 2.0896 4.1653 4.1653 4.1939 4.1939 4.1994 4.1994 4.5784 4.5784 4.5786 4.5786 4.5905 4.5905 5.3811 5.3811 5.4527 5.4527 5.4637 5.4637 5.6116 5.6116 5.6708 5.6708 5.9939 5.9939 6.0746 6.0746 6.0791 6.0791 6.4050 6.4050 6.4184 6.4184 6.4458 6.4458 8.6634 8.6634 8.6869 8.6869 8.8619 8.8619 8.8937 8.8937 9.6523 9.6523 9.6825 9.6825 9.7379 9.7379 10.1541 10.1541 10.1930 10.1930 10.2648 10.2648 12.3576 12.3576 16.0394 16.0394 16.1019 16.1019 16.1045 16.1045 16.1138 16.1138 16.1615 16.1615 k = 0.0875-0.0505 0.0714 ( 4785 PWs) bands (ev): -11.3757 -11.3757 -9.8523 -9.8523 -9.6465 -9.6465 -9.6415 -9.6415 -9.6406 -9.6406 -9.2678 -9.2678 -9.2328 -9.2328 -9.2293 -9.2293 0.9368 0.9368 1.5197 1.5197 1.5301 1.5301 1.5308 1.5308 1.5529 1.5529 2.0888 2.0888 2.1059 2.1059 4.1527 4.1527 4.1921 4.1921 4.1976 4.1976 4.5763 4.5763 4.5768 4.5768 4.5883 4.5883 5.3534 5.3534 5.4504 5.4504 5.4617 5.4617 5.5929 5.5929 5.6733 5.6733 5.9622 5.9622 6.0724 6.0724 6.0771 6.0771 6.3875 6.3875 6.4006 6.4006 6.4387 6.4387 8.6619 8.6619 8.6936 8.6936 8.8597 8.8597 8.9024 8.9024 9.6410 9.6410 9.6827 9.6827 9.7365 9.7365 10.1325 10.1325 10.1854 10.1854 10.2549 10.2549 12.4091 12.4091 16.0410 16.0410 16.1254 16.1254 16.1281 16.1281 16.1368 16.1368 16.1940 16.1940 k = 0.1000-0.0577 0.0816 ( 4777 PWs) bands (ev): -11.3661 -11.3661 -9.8574 -9.8574 -9.6482 -9.6482 -9.6433 -9.6433 -9.6421 -9.6421 -9.2772 -9.2772 -9.2315 -9.2315 -9.2280 -9.2280 0.9526 0.9526 1.5353 1.5353 1.5457 1.5457 1.5466 1.5466 1.5605 1.5605 2.1024 2.1024 2.1247 2.1247 4.1382 4.1382 4.1900 4.1900 4.1953 4.1953 4.5738 4.5738 4.5747 4.5747 4.5858 4.5858 5.3217 5.3217 5.4476 5.4476 5.4590 5.4590 5.5715 5.5715 5.6761 5.6761 5.9263 5.9263 6.0703 6.0703 6.0751 6.0751 6.3674 6.3674 6.3802 6.3802 6.4308 6.4308 8.6602 8.6602 8.7013 8.7013 8.8572 8.8572 8.9120 8.9120 9.6278 9.6278 9.6830 9.6830 9.7353 9.7353 10.1081 10.1081 10.1769 10.1769 10.2442 10.2442 12.4670 12.4670 16.0446 16.0446 16.1529 16.1529 16.1557 16.1557 16.1631 16.1631 16.2305 16.2305 k = 0.1125-0.0650 0.0919 ( 4793 PWs) bands (ev): -11.3553 -11.3553 -9.8633 -9.8633 -9.6501 -9.6501 -9.6453 -9.6453 -9.6438 -9.6438 -9.2878 -9.2878 -9.2302 -9.2302 -9.2266 -9.2266 0.9702 0.9702 1.5526 1.5526 1.5631 1.5631 1.5644 1.5644 1.5697 1.5697 2.1177 2.1177 2.1459 2.1459 4.1218 4.1218 4.1875 4.1875 4.1927 4.1927 4.5709 4.5709 4.5726 4.5726 4.5830 4.5830 5.2864 5.2864 5.4441 5.4441 5.4556 5.4556 5.5476 5.5476 5.6793 5.6793 5.8862 5.8862 6.0684 6.0684 6.0733 6.0733 6.3448 6.3448 6.3576 6.3576 6.4221 6.4221 8.6584 8.6584 8.7096 8.7096 8.8544 8.8544 8.9223 8.9223 9.6128 9.6128 9.6829 9.6829 9.7341 9.7341 10.0813 10.0813 10.1675 10.1675 10.2330 10.2330 12.5307 12.5307 16.0501 16.0501 16.1841 16.1841 16.1873 16.1873 16.1927 16.1927 16.2708 16.2708 k = 0.1250-0.0722 0.1021 ( 4801 PWs) bands (ev): -11.3432 -11.3432 -9.8699 -9.8699 -9.6522 -9.6522 -9.6476 -9.6476 -9.6457 -9.6457 -9.2994 -9.2994 -9.2287 -9.2287 -9.2251 -9.2251 0.9897 0.9897 1.5700 1.5700 1.5798 1.5798 1.5842 1.5842 1.5843 1.5843 2.1349 2.1349 2.1695 2.1695 4.1036 4.1036 4.1846 4.1846 4.1897 4.1897 4.5677 4.5677 4.5704 4.5704 4.5800 4.5800 5.2475 5.2475 5.4399 5.4399 5.4515 5.4515 5.5211 5.5211 5.6828 5.6828 5.8423 5.8423 6.0668 6.0668 6.0717 6.0717 6.3200 6.3200 6.3326 6.3326 6.4126 6.4126 8.6565 8.6565 8.7189 8.7189 8.8513 8.8513 8.9333 8.9333 9.5962 9.5962 9.6828 9.6828 9.7329 9.7329 10.0526 10.0526 10.1573 10.1573 10.2211 10.2211 12.5997 12.5997 16.0574 16.0574 16.2189 16.2189 16.2225 16.2225 16.2257 16.2257 16.3149 16.3149 k = 0.1375-0.0794 0.1123 ( 4805 PWs) bands (ev): -11.3300 -11.3300 -9.8774 -9.8774 -9.6545 -9.6545 -9.6499 -9.6499 -9.6476 -9.6476 -9.3120 -9.3120 -9.2270 -9.2270 -9.2235 -9.2235 1.0110 1.0110 1.5838 1.5838 1.5982 1.5982 1.6054 1.6054 1.6058 1.6058 2.1538 2.1538 2.1955 2.1955 4.0835 4.0835 4.1812 4.1812 4.1861 4.1861 4.5641 4.5641 4.5683 4.5683 4.5770 4.5770 5.2055 5.2055 5.4348 5.4348 5.4464 5.4464 5.4921 5.4921 5.6867 5.6867 5.7948 5.7948 6.0656 6.0656 6.0707 6.0707 6.2930 6.2930 6.3056 6.3056 6.4023 6.4023 8.6545 8.6545 8.7290 8.7290 8.8480 8.8480 8.9448 8.9448 9.5784 9.5784 9.6825 9.6825 9.7318 9.7318 10.0222 10.0222 10.1464 10.1464 10.2087 10.2087 12.6736 12.6736 16.0663 16.0663 16.2565 16.2565 16.2614 16.2614 16.2622 16.2622 16.3625 16.3625 k = 0.1500-0.0866 0.1225 ( 4805 PWs) bands (ev): -11.3155 -11.3155 -9.8856 -9.8856 -9.6569 -9.6569 -9.6525 -9.6525 -9.6497 -9.6497 -9.3254 -9.3254 -9.2253 -9.2253 -9.2218 -9.2218 1.0340 1.0340 1.5954 1.5954 1.6210 1.6210 1.6289 1.6289 1.6293 1.6293 2.1745 2.1745 2.2239 2.2239 4.0617 4.0617 4.1773 4.1773 4.1821 4.1821 4.5600 4.5600 4.5663 4.5663 4.5740 4.5740 5.1603 5.1603 5.4288 5.4288 5.4403 5.4403 5.4609 5.4609 5.6910 5.6910 5.7439 5.7439 6.0650 6.0650 6.0701 6.0701 6.2640 6.2640 6.2766 6.2766 6.3913 6.3913 8.6524 8.6524 8.7398 8.7398 8.8445 8.8445 8.9567 8.9567 9.5595 9.5595 9.6821 9.6821 9.7306 9.7306 9.9905 9.9905 10.1350 10.1350 10.1959 10.1959 12.7519 12.7519 16.0764 16.0764 16.2962 16.2962 16.3028 16.3028 16.3035 16.3035 16.4137 16.4137 k = 0.1625-0.0938 0.1327 ( 4801 PWs) bands (ev): -11.2998 -11.2998 -9.8947 -9.8947 -9.6594 -9.6594 -9.6552 -9.6552 -9.6519 -9.6519 -9.3396 -9.3396 -9.2235 -9.2235 -9.2201 -9.2201 1.0587 1.0587 1.6071 1.6071 1.6463 1.6463 1.6543 1.6543 1.6545 1.6545 2.1969 2.1969 2.2546 2.2546 4.0381 4.0381 4.1728 4.1728 4.1774 4.1774 4.5554 4.5554 4.5644 4.5644 4.5712 4.5712 5.1124 5.1124 5.4218 5.4218 5.4273 5.4273 5.4335 5.4335 5.6901 5.6901 5.6957 5.6957 6.0650 6.0650 6.0701 6.0701 6.2332 6.2332 6.2459 6.2459 6.3796 6.3796 8.6504 8.6504 8.7511 8.7511 8.8408 8.8408 8.9688 8.9688 9.5397 9.5397 9.6814 9.6814 9.7292 9.7292 9.9578 9.9578 10.1231 10.1231 10.1826 10.1826 12.8343 12.8343 16.0876 16.0876 16.3378 16.3378 16.3471 16.3471 16.3487 16.3487 16.4683 16.4683 k = 0.1750-0.1010 0.1429 ( 4797 PWs) bands (ev): -11.2830 -11.2830 -9.9047 -9.9047 -9.6620 -9.6620 -9.6580 -9.6580 -9.6541 -9.6541 -9.3545 -9.3545 -9.2216 -9.2216 -9.2182 -9.2182 1.0849 1.0849 1.6192 1.6192 1.6734 1.6734 1.6813 1.6813 1.6815 1.6815 2.2211 2.2211 2.2877 2.2877 4.0128 4.0128 4.1676 4.1676 4.1722 4.1722 4.5501 4.5501 4.5627 4.5627 4.5685 4.5685 5.0619 5.0619 5.3918 5.3918 5.4139 5.4139 5.4253 5.4253 5.6334 5.6334 5.7007 5.7007 6.0655 6.0655 6.0706 6.0706 6.2010 6.2010 6.2137 6.2137 6.3673 6.3673 8.6483 8.6483 8.7630 8.7630 8.8370 8.8370 8.9809 8.9809 9.5193 9.5193 9.6804 9.6804 9.7275 9.7275 9.9244 9.9244 10.1108 10.1108 10.1690 10.1690 12.9203 12.9203 16.0995 16.0995 16.3816 16.3816 16.3945 16.3945 16.3965 16.3965 16.5262 16.5262 k = 0.1875-0.1083 0.1531 ( 4793 PWs) bands (ev): -11.2650 -11.2650 -9.9157 -9.9157 -9.6648 -9.6648 -9.6608 -9.6608 -9.6564 -9.6564 -9.3699 -9.3699 -9.2196 -9.2196 -9.2163 -9.2163 1.1125 1.1125 1.6318 1.6318 1.7023 1.7023 1.7098 1.7098 1.7106 1.7106 2.2470 2.2470 2.3230 2.3230 3.9858 3.9858 4.1618 4.1618 4.1662 4.1662 4.5443 4.5443 4.5613 4.5613 4.5662 4.5662 5.0090 5.0090 5.3543 5.3543 5.4050 5.4050 5.4162 5.4162 5.5742 5.5742 5.7061 5.7061 6.0663 6.0663 6.0713 6.0713 6.1676 6.1676 6.1805 6.1805 6.3544 6.3544 8.6463 8.6463 8.7754 8.7754 8.8330 8.8330 8.9929 8.9929 9.4984 9.4984 9.6791 9.6791 9.7256 9.7256 9.8905 9.8905 10.0984 10.0984 10.1552 10.1552 13.0096 13.0096 16.1118 16.1118 16.4275 16.4275 16.4444 16.4444 16.4468 16.4468 16.5873 16.5873 k = 0.2000-0.1155 0.1633 ( 4781 PWs) bands (ev): -11.2459 -11.2459 -9.9276 -9.9276 -9.6676 -9.6676 -9.6638 -9.6638 -9.6587 -9.6587 -9.3858 -9.3858 -9.2176 -9.2176 -9.2143 -9.2143 1.1415 1.1415 1.6449 1.6449 1.7328 1.7328 1.7397 1.7397 1.7414 1.7414 2.2746 2.2746 2.3605 2.3605 3.9571 3.9571 4.1553 4.1553 4.1596 4.1596 4.5377 4.5377 4.5602 4.5602 4.5643 4.5643 4.9539 4.9539 5.3149 5.3149 5.3951 5.3951 5.4061 5.4061 5.5127 5.5127 5.7120 5.7120 6.0666 6.0666 6.0715 6.0715 6.1343 6.1343 6.1473 6.1473 6.3409 6.3409 8.6444 8.6444 8.7879 8.7879 8.8292 8.8292 9.0047 9.0047 9.4773 9.4773 9.6774 9.6774 9.7233 9.7233 9.8563 9.8563 10.0859 10.0859 10.1412 10.1412 13.1019 13.1019 16.1240 16.1240 16.4756 16.4756 16.4965 16.4965 16.4992 16.4992 16.6514 16.6514 k = 0.2125-0.1227 0.1735 ( 4793 PWs) bands (ev): -11.2257 -11.2257 -9.9406 -9.9406 -9.6705 -9.6705 -9.6668 -9.6668 -9.6610 -9.6610 -9.4019 -9.4019 -9.2156 -9.2156 -9.2124 -9.2124 1.1717 1.1717 1.6584 1.6584 1.7647 1.7647 1.7710 1.7710 1.7740 1.7740 2.3040 2.3040 2.4001 2.4001 3.9269 3.9269 4.1479 4.1479 4.1521 4.1521 4.5305 4.5305 4.5594 4.5594 4.5628 4.5628 4.8968 4.8968 5.2737 5.2737 5.3844 5.3844 5.3951 5.3951 5.4494 5.4494 5.7181 5.7181 6.0622 6.0622 6.0677 6.0677 6.1052 6.1052 6.1176 6.1176 6.3269 6.3269 8.6425 8.6425 8.8001 8.8001 8.8258 8.8258 9.0160 9.0160 9.4560 9.4560 9.6752 9.6752 9.7205 9.7205 9.8220 9.8220 10.0733 10.0733 10.1271 10.1271 13.1967 13.1967 16.1359 16.1359 16.5255 16.5255 16.5504 16.5504 16.5533 16.5533 16.7184 16.7184 k = 0.2250-0.1299 0.1837 ( 4801 PWs) bands (ev): -11.2045 -11.2045 -9.9546 -9.9546 -9.6734 -9.6734 -9.6699 -9.6699 -9.6634 -9.6634 -9.4183 -9.4183 -9.2135 -9.2135 -9.2104 -9.2104 1.2030 1.2030 1.6723 1.6723 1.7978 1.7978 1.8036 1.8036 1.8084 1.8084 2.3350 2.3350 2.4419 2.4419 3.8951 3.8951 4.1397 4.1397 4.1439 4.1439 4.5228 4.5228 4.5591 4.5591 4.5616 4.5616 4.8379 4.8379 5.2309 5.2309 5.3730 5.3730 5.3810 5.3810 5.3868 5.3868 5.7247 5.7247 6.0418 6.0418 6.0502 6.0502 6.0921 6.0921 6.1015 6.1015 6.3124 6.3124 8.6409 8.6409 8.8091 8.8091 8.8257 8.8257 9.0268 9.0268 9.4351 9.4351 9.6724 9.6724 9.7172 9.7172 9.7879 9.7879 10.0609 10.0609 10.1130 10.1130 13.2939 13.2939 16.1471 16.1471 16.5771 16.5771 16.6056 16.6056 16.6087 16.6087 16.7882 16.7882 k = 0.2375-0.1371 0.1939 ( 4801 PWs) bands (ev): -11.1822 -11.1822 -9.9697 -9.9697 -9.6763 -9.6763 -9.6729 -9.6729 -9.6656 -9.6656 -9.4348 -9.4348 -9.2114 -9.2114 -9.2084 -9.2084 1.2352 1.2352 1.6865 1.6865 1.8321 1.8321 1.8373 1.8373 1.8445 1.8445 2.3677 2.3677 2.4858 2.4858 3.8617 3.8617 4.1307 4.1307 4.1348 4.1348 4.5144 4.5144 4.5591 4.5591 4.5610 4.5610 4.7775 4.7775 5.1865 5.1865 5.3178 5.3178 5.3609 5.3609 5.3713 5.3713 5.7316 5.7316 6.0081 6.0081 6.0183 6.0183 6.0921 6.0921 6.0996 6.0996 6.2976 6.2976 8.6394 8.6394 8.8098 8.8098 8.8341 8.8341 9.0369 9.0369 9.4147 9.4147 9.6688 9.6688 9.7135 9.7135 9.7544 9.7544 10.0488 10.0488 10.0991 10.0991 13.3931 13.3931 16.1571 16.1571 16.6301 16.6301 16.6619 16.6619 16.6650 16.6650 16.8604 16.8604 k = 0.2500-0.1443 0.2041 ( 4801 PWs) bands (ev): -11.1588 -11.1588 -9.9861 -9.9861 -9.6793 -9.6793 -9.6760 -9.6760 -9.6678 -9.6678 -9.4512 -9.4512 -9.2094 -9.2094 -9.2064 -9.2064 1.2683 1.2683 1.7009 1.7009 1.8673 1.8673 1.8720 1.8720 1.8824 1.8824 2.4021 2.4021 2.5316 2.5316 3.8269 3.8269 4.1209 4.1209 4.1248 4.1248 4.5055 4.5055 4.5596 4.5596 4.5607 4.5607 4.7157 4.7157 5.1405 5.1405 5.2508 5.2508 5.3484 5.3484 5.3583 5.3583 5.7389 5.7389 5.9705 5.9705 5.9814 5.9814 6.0961 6.0961 6.1029 6.1029 6.2824 6.2824 8.6382 8.6382 8.8063 8.8063 8.8468 8.8468 9.0463 9.0463 9.3949 9.3949 9.6637 9.6637 9.7093 9.7093 9.7224 9.7224 10.0370 10.0370 10.0855 10.0855 13.4941 13.4941 16.1655 16.1655 16.6844 16.6844 16.7187 16.7187 16.7219 16.7219 16.9349 16.9349 k = 0.2625-0.1516 0.2143 ( 4801 PWs) bands (ev): -11.1345 -11.1345 -10.0036 -10.0036 -9.6822 -9.6822 -9.6791 -9.6791 -9.6700 -9.6700 -9.4675 -9.4675 -9.2073 -9.2073 -9.2044 -9.2044 1.3020 1.3020 1.7155 1.7155 1.9034 1.9034 1.9076 1.9076 1.9219 1.9219 2.4381 2.4381 2.5794 2.5794 3.7906 3.7906 4.1101 4.1101 4.1140 4.1140 4.4962 4.4962 4.5606 4.5606 4.5609 4.5609 4.6529 4.6529 5.0924 5.0924 5.1836 5.1836 5.3355 5.3355 5.3450 5.3450 5.7465 5.7465 5.9316 5.9316 5.9427 5.9427 6.1016 6.1016 6.1080 6.1080 6.2669 6.2669 8.6372 8.6372 8.8017 8.8017 8.8605 8.8605 9.0548 9.0548 9.3759 9.3759 9.6547 9.6547 9.6943 9.6943 9.7046 9.7046 10.0256 10.0256 10.0721 10.0721 13.5965 13.5965 16.1719 16.1719 16.7396 16.7396 16.7757 16.7757 16.7790 16.7790 17.0106 17.0106 k = 0.2750-0.1588 0.2245 ( 4789 PWs) bands (ev): -11.1093 -11.1093 -10.0224 -10.0224 -9.6850 -9.6850 -9.6821 -9.6821 -9.6720 -9.6720 -9.4835 -9.4835 -9.2053 -9.2053 -9.2025 -9.2025 1.3363 1.3363 1.7300 1.7300 1.9401 1.9401 1.9439 1.9439 1.9629 1.9629 2.4757 2.4757 2.6291 2.6291 3.7530 3.7530 4.0985 4.0985 4.1023 4.1023 4.4864 4.4864 4.5605 4.5605 4.5620 4.5620 4.5900 4.5900 5.0417 5.0417 5.1175 5.1175 5.3225 5.3225 5.3316 5.3316 5.7545 5.7545 5.8921 5.8921 5.9033 5.9033 6.1081 6.1081 6.1142 6.1142 6.2511 6.2511 8.6365 8.6365 8.7968 8.7968 8.8745 8.8745 9.0623 9.0623 9.3580 9.3580 9.6364 9.6364 9.6757 9.6757 9.6995 9.6995 10.0148 10.0148 10.0591 10.0591 13.7002 13.7002 16.1759 16.1759 16.7955 16.7955 16.8326 16.8326 16.8358 16.8358 17.0784 17.0784 k = 0.2875-0.1660 0.2347 ( 4773 PWs) bands (ev): -11.0831 -11.0831 -10.0424 -10.0424 -9.6879 -9.6879 -9.6850 -9.6850 -9.6739 -9.6739 -9.4991 -9.4991 -9.2033 -9.2033 -9.2006 -9.2006 1.3709 1.3709 1.7444 1.7444 1.9773 1.9773 1.9807 1.9807 2.0056 2.0056 2.5149 2.5149 2.6806 2.6806 3.7139 3.7139 4.0860 4.0860 4.0898 4.0898 4.4759 4.4759 4.5226 4.5226 4.5638 4.5638 4.5647 4.5647 4.9869 4.9869 5.0543 5.0543 5.3095 5.3095 5.3181 5.3181 5.7628 5.7628 5.8524 5.8524 5.8638 5.8638 6.1152 6.1152 6.1211 6.1211 6.2352 6.2352 8.6362 8.6362 8.7916 8.7916 8.8887 8.8887 9.0688 9.0688 9.3413 9.3413 9.6095 9.6095 9.6662 9.6662 9.6939 9.6939 10.0046 10.0046 10.0466 10.0466 13.8049 13.8049 16.1770 16.1770 16.8518 16.8518 16.8888 16.8888 16.8920 16.8920 17.1349 17.1349 k = 0.3000-0.1732 0.2449 ( 4780 PWs) bands (ev): -11.0560 -11.0560 -10.0637 -10.0637 -9.6906 -9.6906 -9.6879 -9.6879 -9.6756 -9.6756 -9.5142 -9.5142 -9.2013 -9.2013 -9.1988 -9.1988 1.4056 1.4056 1.7586 1.7586 2.0148 2.0148 2.0178 2.0178 2.0496 2.0496 2.5557 2.5557 2.7338 2.7338 3.6735 3.6735 4.0726 4.0726 4.0764 4.0764 4.4530 4.4530 4.4703 4.4703 4.5657 4.5657 4.5660 4.5660 4.9265 4.9265 4.9958 4.9958 5.2967 5.2967 5.3047 5.3047 5.7710 5.7710 5.8128 5.8128 5.8248 5.8248 6.1226 6.1226 6.1282 6.1282 6.2190 6.2190 8.6361 8.6361 8.7862 8.7862 8.9027 8.9027 9.0740 9.0740 9.3259 9.3259 9.5798 9.5798 9.6598 9.6598 9.6879 9.6879 9.9951 9.9951 10.0346 10.0346 13.9104 13.9104 16.1748 16.1748 16.9082 16.9082 16.9441 16.9441 16.9472 16.9472 17.1889 17.1889 k = 0.3125-0.1804 0.2552 ( 4772 PWs) bands (ev): -11.0281 -11.0281 -10.0863 -10.0863 -9.6933 -9.6933 -9.6908 -9.6908 -9.6772 -9.6772 -9.5288 -9.5288 -9.1994 -9.1994 -9.1970 -9.1970 1.4404 1.4404 1.7725 1.7725 2.0524 2.0524 2.0551 2.0551 2.0950 2.0950 2.5981 2.5981 2.7887 2.7887 3.6318 3.6318 4.0586 4.0586 4.0623 4.0623 4.3893 4.3893 4.4574 4.4574 4.5677 4.5677 4.5687 4.5687 4.8607 4.8607 4.9422 4.9422 5.2843 5.2843 5.2916 5.2916 5.7737 5.7737 5.7741 5.7741 5.7915 5.7915 6.1302 6.1302 6.1357 6.1357 6.2027 6.2027 8.6365 8.6365 8.7807 8.7807 8.9166 8.9166 9.0782 9.0782 9.3120 9.3120 9.5499 9.5499 9.6543 9.6543 9.6815 9.6815 9.9862 9.9862 10.0233 10.0233 14.0163 14.0163 16.1688 16.1688 16.9644 16.9644 16.9980 16.9980 17.0010 17.0010 17.2410 17.2410 k = 0.3250-0.1876 0.2654 ( 4772 PWs) bands (ev): -10.9994 -10.9994 -10.1101 -10.1101 -9.6958 -9.6958 -9.6935 -9.6935 -9.6785 -9.6785 -9.5428 -9.5428 -9.1976 -9.1976 -9.1953 -9.1953 1.4749 1.4749 1.7858 1.7858 2.0899 2.0899 2.0923 2.0923 2.1418 2.1418 2.6419 2.6419 2.8452 2.8452 3.5888 3.5888 4.0438 4.0438 4.0475 4.0475 4.3227 4.3227 4.4470 4.4470 4.5702 4.5702 4.5717 4.5717 4.7913 4.7913 4.8922 4.8922 5.2723 5.2723 5.2791 5.2791 5.7352 5.7352 5.7437 5.7437 5.7928 5.7928 6.1380 6.1380 6.1432 6.1432 6.1864 6.1864 8.6372 8.6372 8.7751 8.7751 8.9303 8.9303 9.0811 9.0811 9.2997 9.2997 9.5204 9.5204 9.6491 9.6491 9.6749 9.6749 9.9780 9.9780 10.0125 10.0125 14.1226 14.1226 16.1589 16.1589 17.0201 17.0201 17.0502 17.0502 17.0530 17.0530 17.2909 17.2909 k = 0.3375-0.1949 0.2756 ( 4768 PWs) bands (ev): -10.9699 -10.9699 -10.1352 -10.1352 -9.6983 -9.6983 -9.6961 -9.6961 -9.6797 -9.6797 -9.5561 -9.5561 -9.1959 -9.1959 -9.1937 -9.1937 1.5091 1.5091 1.7985 1.7985 2.1270 2.1270 2.1291 2.1291 2.1897 2.1897 2.6873 2.6873 2.9032 2.9032 3.5446 3.5446 4.0285 4.0285 4.0321 4.0321 4.2556 4.2556 4.4371 4.4371 4.5731 4.5731 4.5749 4.5749 4.7196 4.7196 4.8447 4.8447 5.2611 5.2611 5.2672 5.2672 5.6977 5.6977 5.7065 5.7065 5.8020 5.8020 6.1456 6.1456 6.1507 6.1507 6.1700 6.1700 8.6383 8.6383 8.7692 8.7692 8.9437 8.9437 9.0830 9.0830 9.2890 9.2890 9.4919 9.4919 9.6441 9.6441 9.6682 9.6682 9.9705 9.9705 10.0024 10.0024 14.2288 14.2288 16.1445 16.1445 17.0749 17.0749 17.1003 17.1003 17.1029 17.1029 17.3382 17.3382 k = 0.3500-0.2021 0.2858 ( 4768 PWs) bands (ev): -10.9397 -10.9397 -10.1615 -10.1615 -9.7006 -9.7006 -9.6985 -9.6985 -9.6806 -9.6806 -9.5687 -9.5687 -9.1942 -9.1942 -9.1922 -9.1922 1.5427 1.5427 1.8104 1.8104 2.1635 2.1635 2.1653 2.1653 2.2388 2.2388 2.7342 2.7342 2.9627 2.9627 3.4993 3.4993 4.0127 4.0127 4.0163 4.0163 4.1882 4.1882 4.4277 4.4277 4.5762 4.5762 4.5784 4.5784 4.6468 4.6468 4.7992 4.7992 5.2506 5.2506 5.2561 5.2561 5.6613 5.6613 5.6700 5.6700 5.8121 5.8121 6.1509 6.1509 6.1560 6.1560 6.1581 6.1581 8.6398 8.6398 8.7634 8.7634 8.9567 8.9567 9.0837 9.0837 9.2798 9.2798 9.4644 9.4644 9.6391 9.6391 9.6614 9.6614 9.9638 9.9638 9.9930 9.9930 14.3349 14.3349 16.1254 16.1254 17.1286 17.1286 17.1480 17.1480 17.1504 17.1504 17.3826 17.3826 k = 0.3625-0.2093 0.2960 ( 4784 PWs) bands (ev): -10.9089 -10.9089 -10.1888 -10.1888 -9.7027 -9.7027 -9.7009 -9.7009 -9.6812 -9.6812 -9.5806 -9.5806 -9.1927 -9.1927 -9.1908 -9.1908 1.5754 1.5754 1.8213 1.8213 2.1990 2.1990 2.2005 2.2005 2.2889 2.2889 2.7824 2.7824 3.0235 3.0235 3.4527 3.4527 3.9967 3.9967 4.0002 4.0002 4.1206 4.1206 4.4189 4.4189 4.5731 4.5731 4.5796 4.5796 4.5820 4.5820 4.7554 4.7554 5.2410 5.2410 5.2458 5.2458 5.6262 5.6262 5.6345 5.6345 5.8227 5.8227 6.1365 6.1365 6.1613 6.1613 6.1653 6.1653 8.6417 8.6417 8.7574 8.7574 8.9692 8.9692 9.0836 9.0836 9.2720 9.2720 9.4382 9.4382 9.6342 9.6342 9.6545 9.6545 9.9577 9.9577 9.9842 9.9842 14.4405 14.4405 16.1014 16.1014 17.1807 17.1807 17.1931 17.1931 17.1951 17.1951 17.4236 17.4236 k = 0.3750-0.2165 0.3062 ( 4792 PWs) bands (ev): -10.8774 -10.8774 -10.2173 -10.2173 -9.7047 -9.7047 -9.7030 -9.7030 -9.6816 -9.6816 -9.5917 -9.5917 -9.1912 -9.1912 -9.1895 -9.1895 1.6072 1.6072 1.8310 1.8310 2.2332 2.2332 2.2345 2.2345 2.3400 2.3400 2.8321 2.8321 3.0857 3.0857 3.4051 3.4051 3.9806 3.9806 3.9840 3.9840 4.0530 4.0530 4.4110 4.4110 4.4991 4.4991 4.5832 4.5832 4.5858 4.5858 4.7135 4.7135 5.2324 5.2324 5.2367 5.2367 5.5928 5.5928 5.6006 5.6006 5.8338 5.8338 6.1202 6.1202 6.1683 6.1683 6.1721 6.1721 8.6441 8.6441 8.7513 8.7513 8.9813 8.9813 9.0826 9.0826 9.2657 9.2657 9.4134 9.4134 9.6294 9.6294 9.6477 9.6477 9.9523 9.9523 9.9761 9.9761 14.5454 14.5454 16.0723 16.0723 17.2301 17.2301 17.2360 17.2360 17.2367 17.2367 17.4609 17.4609 k = 0.3875-0.2237 0.3164 ( 4800 PWs) bands (ev): -10.8454 -10.8454 -10.2467 -10.2467 -9.7066 -9.7066 -9.7050 -9.7050 -9.6816 -9.6816 -9.6020 -9.6020 -9.1899 -9.1899 -9.1883 -9.1883 1.6378 1.6378 1.8395 1.8395 2.2659 2.2659 2.2670 2.2670 2.3920 2.3920 2.8832 2.8832 3.1491 3.1491 3.3564 3.3564 3.9647 3.9647 3.9680 3.9680 3.9855 3.9855 4.4042 4.4042 4.4249 4.4249 4.5869 4.5869 4.5895 4.5895 4.6735 4.6735 5.2250 5.2250 5.2286 5.2286 5.5612 5.5612 5.5685 5.5685 5.8452 5.8452 6.1038 6.1038 6.1750 6.1750 6.1786 6.1786 8.6470 8.6470 8.7452 8.7452 8.9927 8.9927 9.0811 9.0811 9.2606 9.2606 9.3901 9.3901 9.6249 9.6249 9.6412 9.6412 9.9476 9.9476 9.9688 9.9688 14.6493 14.6493 16.0378 16.0378 17.2720 17.2720 17.2750 17.2750 17.2811 17.2811 17.4942 17.4942 k = 0.4000-0.2309 0.3266 ( 4792 PWs) bands (ev): -10.8128 -10.8128 -10.2770 -10.2770 -9.7083 -9.7083 -9.7069 -9.7069 -9.6813 -9.6813 -9.6117 -9.6117 -9.1886 -9.1886 -9.1872 -9.1872 1.6670 1.6670 1.8465 1.8465 2.2966 2.2966 2.2974 2.2974 2.4448 2.4448 2.9356 2.9356 3.2137 3.2137 3.3068 3.3068 3.9182 3.9182 3.9494 3.9494 3.9524 3.9524 4.3506 4.3506 4.3987 4.3987 4.5905 4.5905 4.5930 4.5930 4.6358 4.6358 5.2187 5.2187 5.2217 5.2217 5.5317 5.5317 5.5384 5.5384 5.8570 5.8570 6.0876 6.0876 6.1813 6.1813 6.1845 6.1845 8.6503 8.6503 8.7391 8.7391 9.0034 9.0034 9.0793 9.0793 9.2566 9.2566 9.3684 9.3684 9.6207 9.6207 9.6351 9.6351 9.9435 9.9435 9.9622 9.9622 14.7520 14.7520 15.9981 15.9981 17.3074 17.3074 17.3098 17.3098 17.3266 17.3266 17.5230 17.5230 k = 0.4125-0.2382 0.3368 ( 4800 PWs) bands (ev): -10.7798 -10.7798 -10.3081 -10.3081 -9.7097 -9.7097 -9.7085 -9.7085 -9.6806 -9.6806 -9.6206 -9.6206 -9.1875 -9.1875 -9.1863 -9.1863 1.6946 1.6946 1.8518 1.8518 2.3250 2.3250 2.3256 2.3256 2.4982 2.4982 2.9893 2.9893 3.2562 3.2562 3.2794 3.2794 3.8513 3.8513 3.9347 3.9347 3.9375 3.9375 4.2763 4.2763 4.3947 4.3947 4.5941 4.5941 4.5948 4.5948 4.6019 4.6019 5.2135 5.2135 5.2160 5.2160 5.5046 5.5046 5.5106 5.5106 5.8692 5.8692 6.0714 6.0714 6.1870 6.1870 6.1899 6.1899 8.6539 8.6539 8.7328 8.7328 9.0134 9.0134 9.0772 9.0772 9.2536 9.2536 9.3484 9.3484 9.6169 9.6169 9.6293 9.6293 9.9401 9.9401 9.9563 9.9563 14.8532 14.8532 15.9529 15.9529 17.3389 17.3389 17.3408 17.3408 17.3698 17.3698 17.5471 17.5471 k = 0.4250-0.2454 0.3470 ( 4800 PWs) bands (ev): -10.7464 -10.7464 -10.3400 -10.3400 -9.7110 -9.7110 -9.7100 -9.7100 -9.6796 -9.6796 -9.6287 -9.6287 -9.1865 -9.1865 -9.1854 -9.1854 1.7205 1.7205 1.8552 1.8552 2.3506 2.3506 2.3511 2.3511 2.5522 2.5522 3.0443 3.0443 3.2047 3.2047 3.3460 3.3460 3.7847 3.7847 3.9212 3.9212 3.9237 3.9237 4.2022 4.2022 4.3925 4.3925 4.5667 4.5667 4.5975 4.5975 4.6002 4.6002 5.2095 5.2095 5.2116 5.2116 5.4801 5.4801 5.4854 5.4854 5.8817 5.8817 6.0554 6.0554 6.1922 6.1922 6.1946 6.1946 8.6580 8.6580 8.7265 8.7265 9.0226 9.0226 9.0750 9.0750 9.2516 9.2516 9.3302 9.3302 9.6135 9.6135 9.6241 9.6241 9.9373 9.9373 9.9510 9.9510 14.9527 14.9527 15.9024 15.9024 17.3663 17.3663 17.3679 17.3679 17.4101 17.4101 17.5663 17.5663 k = 0.4375-0.2526 0.3572 ( 4792 PWs) bands (ev): -10.7126 -10.7126 -10.3725 -10.3725 -9.7121 -9.7121 -9.7112 -9.7112 -9.6781 -9.6781 -9.6362 -9.6362 -9.1857 -9.1857 -9.1848 -9.1848 1.7444 1.7444 1.8567 1.8567 2.3731 2.3731 2.3734 2.3734 2.6067 2.6067 3.1005 3.1005 3.1525 3.1525 3.4137 3.4137 3.7187 3.7187 3.9091 3.9091 3.9112 3.9112 4.1283 4.1283 4.3923 4.3923 4.5365 4.5365 4.6006 4.6006 4.6030 4.6030 5.2066 5.2066 5.2082 5.2082 5.4587 5.4587 5.4632 5.4632 5.8945 5.8945 6.0396 6.0396 6.1966 6.1966 6.1987 6.1987 8.6625 8.6625 8.7202 8.7202 9.0310 9.0310 9.0728 9.0728 9.2506 9.2506 9.3140 9.3140 9.6107 9.6107 9.6194 9.6194 9.9352 9.9352 9.9465 9.9465 15.0502 15.0502 15.8467 15.8467 17.3897 17.3897 17.3911 17.3911 17.4470 17.4470 17.5804 17.5804 k = 0.4500-0.2598 0.3674 ( 4792 PWs) bands (ev): -10.6786 -10.6786 -10.4055 -10.4055 -9.7130 -9.7130 -9.7123 -9.7123 -9.6763 -9.6763 -9.6430 -9.6430 -9.1849 -9.1849 -9.1842 -9.1842 1.7662 1.7662 1.8561 1.8561 2.3921 2.3921 2.3924 2.3924 2.6616 2.6616 3.0994 3.0994 3.1580 3.1580 3.4821 3.4821 3.6532 3.6532 3.8986 3.8986 3.9004 3.9004 4.0546 4.0546 4.3943 4.3943 4.5090 4.5090 4.6034 4.6034 4.6053 4.6053 5.2046 5.2046 5.2059 5.2059 5.4405 5.4405 5.4442 5.4442 5.9077 5.9077 6.0240 6.0240 6.2004 6.2004 6.2021 6.2021 8.6673 8.6673 8.7139 8.7139 9.0384 9.0384 9.0706 9.0706 9.2505 9.2505 9.2997 9.2997 9.6084 9.6084 9.6153 9.6153 9.9336 9.9336 9.9426 9.9426 15.1453 15.1453 15.7859 15.7859 17.4090 17.4090 17.4101 17.4101 17.4805 17.4805 17.5893 17.5893 k = 0.4625-0.2670 0.3776 ( 4788 PWs) bands (ev): -10.6444 -10.6444 -10.4390 -10.4390 -9.7137 -9.7137 -9.7131 -9.7131 -9.6739 -9.6739 -9.6492 -9.6492 -9.1843 -9.1843 -9.1838 -9.1838 1.7859 1.7859 1.8533 1.8533 2.4073 2.4073 2.4075 2.4075 2.7167 2.7167 3.0458 3.0458 3.2164 3.2164 3.5511 3.5511 3.5887 3.5887 3.8902 3.8902 3.8916 3.8916 3.9813 3.9813 4.3988 4.3988 4.4844 4.4844 4.6057 4.6057 4.6072 4.6072 5.2035 5.2035 5.2043 5.2043 5.4259 5.4259 5.4287 5.4287 5.9212 5.9212 6.0085 6.0085 6.2034 6.2034 6.2047 6.2047 8.6725 8.6725 8.7077 8.7077 9.0449 9.0449 9.0682 9.0682 9.2514 9.2514 9.2874 9.2874 9.6068 9.6068 9.6120 9.6120 9.9327 9.9327 9.9393 9.9393 15.2376 15.2376 15.7202 15.7202 17.4241 17.4241 17.4249 17.4249 17.5100 17.5100 17.5930 17.5930 k = 0.4750-0.2742 0.3878 ( 4796 PWs) bands (ev): -10.6101 -10.6101 -10.4729 -10.4729 -9.7141 -9.7141 -9.7138 -9.7138 -9.6711 -9.6711 -9.6547 -9.6547 -9.1839 -9.1839 -9.1835 -9.1835 1.8032 1.8032 1.8481 1.8481 2.4184 2.4184 2.4185 2.4185 2.7719 2.7719 2.9917 2.9917 3.2760 3.2760 3.5239 3.5239 3.6219 3.6219 3.8841 3.8841 3.8850 3.8850 3.9084 3.9084 4.4059 4.4059 4.4627 4.4627 4.6075 4.6075 4.6085 4.6085 5.2029 5.2029 5.2034 5.2034 5.4154 5.4154 5.4173 5.4173 5.9351 5.9351 5.9933 5.9933 6.2057 6.2057 6.2065 6.2065 8.6778 8.6778 8.7015 8.7015 9.0505 9.0505 9.0656 9.0656 9.2535 9.2535 9.2770 9.2770 9.6058 9.6058 9.6092 9.6092 9.9322 9.9322 9.9367 9.9367 15.3272 15.3272 15.6499 15.6499 17.4349 17.4349 17.4355 17.4355 17.5355 17.5355 17.5914 17.5914 k = 0.4875-0.2815 0.3980 ( 4800 PWs) bands (ev): -10.5756 -10.5756 -10.5070 -10.5070 -9.7144 -9.7144 -9.7142 -9.7142 -9.6678 -9.6678 -9.6597 -9.6597 -9.1836 -9.1836 -9.1834 -9.1834 1.8181 1.8181 1.8406 1.8406 2.4251 2.4251 2.4252 2.4252 2.8271 2.8271 2.9371 2.9371 3.3366 3.3366 3.4607 3.4607 3.6925 3.6925 3.8359 3.8359 3.8804 3.8804 3.8809 3.8809 4.4157 4.4157 4.4440 4.4440 4.6087 4.6087 4.6092 4.6092 5.2026 5.2026 5.2029 5.2029 5.4091 5.4091 5.4100 5.4100 5.9492 5.9492 5.9783 5.9783 6.2071 6.2071 6.2075 6.2075 8.6834 8.6834 8.6953 8.6953 9.0553 9.0553 9.0627 9.0627 9.2569 9.2569 9.2685 9.2685 9.6055 9.6055 9.6072 9.6072 9.9324 9.9324 9.9346 9.9346 15.4135 15.4135 15.5751 15.5751 17.4415 17.4415 17.4418 17.4418 17.5566 17.5566 17.5847 17.5847 k = 0.5000-0.2887 0.4082 ( 4800 PWs) bands (ev): -10.5413 -10.5413 -10.5412 -10.5412 -9.7144 -9.7144 -9.7143 -9.7143 -9.6641 -9.6641 -9.6640 -9.6640 -9.1835 -9.1835 -9.1834 -9.1834 1.8306 1.8306 1.8306 1.8306 2.4274 2.4274 2.4274 2.4274 2.8822 2.8822 2.8822 2.8822 3.3982 3.3982 3.3982 3.3982 3.7639 3.7639 3.7639 3.7639 3.8793 3.8793 3.8794 3.8794 4.4283 4.4283 4.4284 4.4284 4.6092 4.6092 4.6093 4.6093 5.2027 5.2027 5.2027 5.2027 5.4072 5.4072 5.4073 5.4073 5.9636 5.9636 5.9637 5.9637 6.2077 6.2077 6.2078 6.2078 8.6893 8.6893 8.6893 8.6893 9.0593 9.0593 9.0593 9.0593 9.2619 9.2619 9.2619 9.2619 9.6060 9.6060 9.6060 9.6060 9.9332 9.9332 9.9332 9.9332 15.4962 15.4962 15.4962 15.4962 17.4438 17.4438 17.4438 17.4438 17.5731 17.5731 17.5731 17.5731 k = 0.5000-0.2887 0.4082 ( 4800 PWs) bands (ev): -10.5413 -10.5413 -10.5412 -10.5412 -9.7144 -9.7144 -9.7143 -9.7143 -9.6641 -9.6641 -9.6640 -9.6640 -9.1835 -9.1835 -9.1834 -9.1834 1.8306 1.8306 1.8306 1.8306 2.4274 2.4274 2.4274 2.4274 2.8822 2.8822 2.8822 2.8822 3.3982 3.3982 3.3982 3.3982 3.7639 3.7639 3.7639 3.7639 3.8793 3.8793 3.8794 3.8794 4.4283 4.4283 4.4284 4.4284 4.6092 4.6092 4.6093 4.6093 5.2027 5.2027 5.2027 5.2027 5.4072 5.4072 5.4073 5.4073 5.9636 5.9636 5.9637 5.9637 6.2077 6.2077 6.2078 6.2078 8.6893 8.6893 8.6893 8.6893 9.0593 9.0593 9.0593 9.0593 9.2619 9.2619 9.2619 9.2619 9.6060 9.6060 9.6060 9.6060 9.9332 9.9332 9.9332 9.9332 15.4962 15.4962 15.4962 15.4962 17.4438 17.4438 17.4438 17.4438 17.5731 17.5731 17.5731 17.5731 k = 0.5000-0.2742 0.4185 ( 4800 PWs) bands (ev): -10.5412 -10.5412 -10.5410 -10.5410 -9.7206 -9.7206 -9.7202 -9.7202 -9.6581 -9.6581 -9.6575 -9.6575 -9.1839 -9.1839 -9.1837 -9.1837 1.8304 1.8304 1.8309 1.8309 2.4274 2.4274 2.4275 2.4275 2.8828 2.8828 2.8832 2.8832 3.3979 3.3979 3.3985 3.3985 3.7600 3.7600 3.7607 3.7607 3.8803 3.8803 3.8806 3.8806 4.4268 4.4268 4.4282 4.4282 4.6105 4.6105 4.6106 4.6106 5.2040 5.2040 5.2042 5.2042 5.4080 5.4080 5.4082 5.4082 5.9629 5.9629 5.9637 5.9637 6.2069 6.2069 6.2073 6.2073 8.6863 8.6863 8.6924 8.6924 9.0565 9.0565 9.0613 9.0613 9.2616 9.2616 9.2623 9.2623 9.6030 9.6030 9.6098 9.6098 9.9315 9.9315 9.9340 9.9340 15.4976 15.4976 15.4982 15.4982 17.4148 17.4148 17.4162 17.4162 17.5995 17.5995 17.5998 17.5998 k = 0.5000-0.2598 0.4287 ( 4798 PWs) bands (ev): -10.5408 -10.5408 -10.5404 -10.5404 -9.7339 -9.7339 -9.7334 -9.7334 -9.6443 -9.6443 -9.6435 -9.6435 -9.1850 -9.1850 -9.1848 -9.1848 1.8305 1.8305 1.8314 1.8314 2.4275 2.4275 2.4276 2.4276 2.8850 2.8850 2.8858 2.8858 3.3977 3.3977 3.3988 3.3988 3.7498 3.7498 3.7511 3.7511 3.8829 3.8829 3.8835 3.8835 4.4238 4.4238 4.4264 4.4264 4.6141 4.6141 4.6142 4.6142 5.2081 5.2081 5.2084 5.2084 5.4104 5.4104 5.4108 5.4108 5.9614 5.9614 5.9630 5.9630 6.2047 6.2047 6.2056 6.2056 8.6834 8.6834 8.6956 8.6956 9.0532 9.0532 9.0627 9.0627 9.2616 9.2616 9.2630 9.2630 9.6009 9.6009 9.6142 9.6142 9.9287 9.9287 9.9339 9.9339 15.5024 15.5024 15.5035 15.5035 17.3581 17.3581 17.3601 17.3601 17.6507 17.6507 17.6509 17.6509 k = 0.5000-0.2454 0.4389 ( 4788 PWs) bands (ev): -10.5400 -10.5400 -10.5395 -10.5395 -9.7495 -9.7495 -9.7490 -9.7490 -9.6277 -9.6277 -9.6268 -9.6268 -9.1869 -9.1869 -9.1866 -9.1866 1.8307 1.8307 1.8320 1.8320 2.4276 2.4276 2.4277 2.4277 2.8888 2.8888 2.8900 2.8900 3.3975 3.3975 3.3992 3.3992 3.7346 3.7346 3.7364 3.7364 3.8858 3.8858 3.8868 3.8868 4.4199 4.4199 4.4235 4.4235 4.6196 4.6196 4.6196 4.6196 5.2149 5.2149 5.2153 5.2153 5.4144 5.4144 5.4151 5.4151 5.9593 5.9593 5.9617 5.9617 6.2013 6.2013 6.2026 6.2026 8.6806 8.6806 8.6990 8.6990 9.0493 9.0493 9.0632 9.0632 9.2619 9.2619 9.2639 9.2639 9.5997 9.5997 9.6193 9.6193 9.9250 9.9250 9.9329 9.9329 15.5106 15.5106 15.5122 15.5122 17.2938 17.2938 17.2963 17.2963 17.7055 17.7055 17.7063 17.7063 k = 0.5000-0.2309 0.4491 ( 4786 PWs) bands (ev): -10.5390 -10.5390 -10.5383 -10.5383 -9.7657 -9.7657 -9.7653 -9.7653 -9.6100 -9.6100 -9.6090 -9.6090 -9.1896 -9.1896 -9.1891 -9.1891 1.8310 1.8310 1.8328 1.8328 2.4278 2.4278 2.4280 2.4280 2.8942 2.8942 2.8957 2.8957 3.3974 3.3974 3.3996 3.3996 3.7157 3.7157 3.7181 3.7181 3.8877 3.8877 3.8892 3.8892 4.4156 4.4156 4.4201 4.4201 4.6262 4.6262 4.6266 4.6266 5.2242 5.2242 5.2246 5.2246 5.4200 5.4200 5.4210 5.4210 5.9566 5.9566 5.9598 5.9598 6.1966 6.1966 6.1983 6.1983 8.6779 8.6779 8.7024 8.7024 9.0449 9.0449 9.0628 9.0628 9.2625 9.2625 9.2652 9.2652 9.5994 9.5994 9.6247 9.6247 9.9204 9.9204 9.9310 9.9310 15.5220 15.5220 15.5241 15.5241 17.2267 17.2267 17.2295 17.2295 17.7591 17.7591 17.7608 17.7608 k = 0.5000-0.2165 0.4593 ( 4786 PWs) bands (ev): -10.5377 -10.5377 -10.5368 -10.5368 -9.7819 -9.7819 -9.7816 -9.7816 -9.5918 -9.5918 -9.5908 -9.5908 -9.1930 -9.1930 -9.1924 -9.1924 1.8316 1.8316 1.8337 1.8337 2.4280 2.4280 2.4282 2.4282 2.9010 2.9010 2.9029 2.9029 3.3972 3.3972 3.4001 3.4001 3.6944 3.6944 3.6971 3.6971 3.8879 3.8879 3.8898 3.8898 4.4116 4.4116 4.4168 4.4168 4.6336 4.6336 4.6345 4.6345 5.2357 5.2357 5.2361 5.2361 5.4271 5.4271 5.4283 5.4283 5.9534 5.9534 5.9573 5.9573 6.1907 6.1907 6.1928 6.1928 8.6753 8.6753 8.7060 8.7060 9.0401 9.0401 9.0615 9.0615 9.2636 9.2636 9.2669 9.2669 9.5997 9.5997 9.6303 9.6303 9.9150 9.9150 9.9285 9.9285 15.5368 15.5368 15.5394 15.5394 17.1582 17.1582 17.1613 17.1613 17.8100 17.8100 17.8124 17.8124 k = 0.5000-0.2021 0.4695 ( 4794 PWs) bands (ev): -10.5361 -10.5361 -10.5351 -10.5351 -9.7978 -9.7978 -9.7975 -9.7975 -9.5735 -9.5735 -9.5725 -9.5725 -9.1970 -9.1970 -9.1963 -9.1963 1.8322 1.8322 1.8348 1.8348 2.4282 2.4282 2.4285 2.4285 2.9093 2.9093 2.9116 2.9116 3.3971 3.3971 3.4006 3.4006 3.6712 3.6712 3.6742 3.6742 3.8859 3.8859 3.8883 3.8883 4.4084 4.4084 4.4139 4.4139 4.6412 4.6412 4.6427 4.6427 5.2492 5.2492 5.2495 5.2495 5.4355 5.4355 5.4369 5.4369 5.9497 5.9497 5.9544 5.9544 6.1835 6.1835 6.1861 6.1861 8.6728 8.6728 8.7095 8.7095 9.0349 9.0349 9.0592 9.0592 9.2651 9.2651 9.2692 9.2692 9.6006 9.6006 9.6359 9.6359 9.9088 9.9088 9.9252 9.9252 15.5548 15.5548 15.5579 15.5579 17.0890 17.0890 17.0924 17.0924 17.8571 17.8571 17.8603 17.8603 k = 0.5000-0.1876 0.4797 ( 4794 PWs) bands (ev): -10.5343 -10.5343 -10.5332 -10.5332 -9.8133 -9.8133 -9.8131 -9.8131 -9.5551 -9.5551 -9.5541 -9.5541 -9.2019 -9.2019 -9.2010 -9.2010 1.8330 1.8330 1.8359 1.8359 2.4286 2.4286 2.4289 2.4289 2.9189 2.9189 2.9216 2.9216 3.3971 3.3971 3.4011 3.4011 3.6468 3.6468 3.6501 3.6501 3.8818 3.8818 3.8845 3.8845 4.4061 4.4061 4.4119 4.4119 4.6486 4.6486 4.6509 4.6509 5.2644 5.2644 5.2645 5.2645 5.4450 5.4450 5.4467 5.4467 5.9457 5.9457 5.9513 5.9513 6.1752 6.1752 6.1782 6.1782 8.6703 8.6703 8.7132 8.7132 9.0295 9.0295 9.0559 9.0559 9.2672 9.2672 9.2722 9.2722 9.6021 9.6021 9.6414 9.6414 9.9020 9.9020 9.9215 9.9215 15.5759 15.5759 15.5795 15.5795 17.0196 17.0196 17.0232 17.0232 17.9001 17.9001 17.9040 17.9040 k = 0.5000-0.1732 0.4899 ( 4784 PWs) bands (ev): -10.5323 -10.5323 -10.5310 -10.5310 -9.8281 -9.8281 -9.8280 -9.8280 -9.5368 -9.5368 -9.5358 -9.5358 -9.2074 -9.2074 -9.2064 -9.2064 1.8338 1.8338 1.8372 1.8372 2.4289 2.4289 2.4293 2.4293 2.9297 2.9297 2.9328 2.9328 3.3970 3.3970 3.4017 3.4017 3.6217 3.6217 3.6251 3.6251 3.8756 3.8756 3.8787 3.8787 4.4049 4.4049 4.4108 4.4108 4.6558 4.6558 4.6588 4.6588 5.2808 5.2808 5.2809 5.2809 5.4555 5.4555 5.4574 5.4574 5.9416 5.9416 5.9480 5.9480 6.1658 6.1658 6.1692 6.1692 8.6680 8.6680 8.7170 8.7170 9.0239 9.0239 9.0518 9.0518 9.2699 9.2699 9.2759 9.2759 9.6038 9.6038 9.6465 9.6465 9.8948 9.8948 9.9176 9.9176 15.6000 15.6000 15.6041 15.6041 16.9503 16.9503 16.9541 16.9541 17.9392 17.9392 17.9436 17.9436 k = 0.5000-0.1588 0.5001 ( 4792 PWs) bands (ev): -10.5302 -10.5302 -10.5287 -10.5287 -9.8422 -9.8422 -9.8422 -9.8422 -9.5187 -9.5187 -9.5176 -9.5176 -9.2135 -9.2135 -9.2125 -9.2125 1.8348 1.8348 1.8385 1.8385 2.4293 2.4293 2.4297 2.4297 2.9417 2.9417 2.9451 2.9451 3.3970 3.3970 3.4022 3.4022 3.5961 3.5961 3.5997 3.5997 3.8676 3.8676 3.8710 3.8710 4.4048 4.4048 4.4106 4.4106 4.6624 4.6624 4.6663 4.6663 5.2981 5.2981 5.2985 5.2985 5.4664 5.4664 5.4687 5.4687 5.9377 5.9377 5.9449 5.9449 6.1552 6.1552 6.1592 6.1592 8.6657 8.6657 8.7207 8.7207 9.0183 9.0183 9.0468 9.0468 9.2731 9.2731 9.2803 9.2803 9.6057 9.6057 9.6511 9.6511 9.8871 9.8871 9.9133 9.9133 15.6271 15.6271 15.6317 15.6317 16.8813 16.8813 16.8852 16.8852 17.9744 17.9744 17.9792 17.9792 k = 0.5000-0.1443 0.5103 ( 4796 PWs) bands (ev): -10.5280 -10.5280 -10.5264 -10.5264 -9.8556 -9.8556 -9.8555 -9.8555 -9.5008 -9.5008 -9.4997 -9.4997 -9.2204 -9.2204 -9.2192 -9.2192 1.8357 1.8357 1.8398 1.8398 2.4298 2.4298 2.4302 2.4302 2.9546 2.9546 2.9584 2.9584 3.3970 3.3970 3.4028 3.4028 3.5704 3.5704 3.5741 3.5741 3.8583 3.8583 3.8620 3.8620 4.4056 4.4056 4.4113 4.4113 4.6684 4.6684 4.6731 4.6731 5.3161 5.3161 5.3167 5.3167 5.4776 5.4776 5.4800 5.4800 5.9341 5.9341 5.9421 5.9421 6.1437 6.1437 6.1481 6.1481 8.6634 8.6634 8.7244 8.7244 9.0127 9.0127 9.0412 9.0412 9.2767 9.2767 9.2855 9.2855 9.6076 9.6076 9.6551 9.6551 9.8793 9.8793 9.9091 9.9091 15.6570 15.6570 15.6620 15.6620 16.8129 16.8129 16.8169 16.8169 18.0064 18.0064 18.0114 18.0114 k = 0.5000-0.1299 0.5205 ( 4788 PWs) bands (ev): -10.5258 -10.5258 -10.5240 -10.5240 -9.8681 -9.8681 -9.8679 -9.8679 -9.4832 -9.4832 -9.4821 -9.4821 -9.2279 -9.2279 -9.2266 -9.2266 1.8368 1.8368 1.8411 1.8411 2.4302 2.4302 2.4306 2.4306 2.9683 2.9683 2.9725 2.9725 3.3969 3.3969 3.4033 3.4033 3.5450 3.5450 3.5487 3.5487 3.8480 3.8480 3.8521 3.8521 4.4070 4.4070 4.4125 4.4125 4.6738 4.6738 4.6794 4.6794 5.3344 5.3344 5.3355 5.3355 5.4885 5.4885 5.4911 5.4911 5.9312 5.9312 5.9399 5.9399 6.1313 6.1313 6.1362 6.1362 8.6613 8.6613 8.7280 8.7280 9.0073 9.0073 9.0353 9.0353 9.2808 9.2808 9.2911 9.2911 9.6093 9.6093 9.6584 9.6584 9.8716 9.8716 9.9050 9.9050 15.6895 15.6895 15.6950 15.6950 16.7453 16.7453 16.7494 16.7494 18.0357 18.0357 18.0407 18.0407 k = 0.5000-0.1155 0.5307 ( 4792 PWs) bands (ev): -10.5235 -10.5235 -10.5216 -10.5216 -9.8795 -9.8795 -9.8793 -9.8793 -9.4659 -9.4659 -9.4649 -9.4649 -9.2360 -9.2360 -9.2346 -9.2346 1.8377 1.8377 1.8423 1.8423 2.4307 2.4307 2.4311 2.4311 2.9826 2.9826 2.9872 2.9872 3.3969 3.3969 3.4038 3.4038 3.5202 3.5202 3.5238 3.5238 3.8374 3.8374 3.8418 3.8418 4.4090 4.4090 4.4142 4.4142 4.6786 4.6786 4.6849 4.6849 5.3528 5.3528 5.3544 5.3544 5.4985 5.4985 5.5013 5.5013 5.9293 5.9293 5.9388 5.9388 6.1181 6.1181 6.1235 6.1235 8.6593 8.6593 8.7316 8.7316 9.0021 9.0021 9.0291 9.0291 9.2851 9.2851 9.2971 9.2971 9.6108 9.6108 9.6609 9.6609 9.8641 9.8641 9.9011 9.9011 15.7245 15.7245 15.7304 15.7304 16.6789 16.6789 16.6830 16.6830 18.0625 18.0625 18.0675 18.0675 k = 0.5000-0.1010 0.5409 ( 4784 PWs) bands (ev): -10.5214 -10.5214 -10.5194 -10.5194 -9.8899 -9.8899 -9.8895 -9.8895 -9.4491 -9.4491 -9.4482 -9.4482 -9.2447 -9.2447 -9.2431 -9.2431 1.8387 1.8387 1.8436 1.8436 2.4312 2.4312 2.4316 2.4316 2.9971 2.9971 3.0021 3.0021 3.3969 3.3969 3.4042 3.4042 3.4964 3.4964 3.4998 3.4998 3.8268 3.8268 3.8315 3.8315 4.4112 4.4112 4.4162 4.4162 4.6827 4.6827 4.6898 4.6898 5.3711 5.3711 5.3732 5.3732 5.5073 5.5073 5.5102 5.5102 5.9287 5.9287 5.9389 5.9389 6.1042 6.1042 6.1101 6.1101 8.6575 8.6575 8.7349 8.7349 8.9973 8.9973 9.0229 9.0229 9.2895 9.2895 9.3034 9.3034 9.6119 9.6119 9.6627 9.6627 9.8570 9.8570 9.8976 9.8976 15.7616 15.7616 15.7680 15.7680 16.6139 16.6139 16.6179 16.6179 18.0873 18.0873 18.0921 18.0921 k = 0.5000-0.0866 0.5511 ( 4784 PWs) bands (ev): -10.5194 -10.5194 -10.5173 -10.5173 -9.8991 -9.8991 -9.8987 -9.8987 -9.4329 -9.4329 -9.4321 -9.4321 -9.2538 -9.2538 -9.2521 -9.2521 1.8396 1.8396 1.8447 1.8447 2.4316 2.4316 2.4320 2.4320 3.0116 3.0116 3.0169 3.0169 3.3968 3.3968 3.4043 3.4043 3.4741 3.4741 3.4772 3.4772 3.8167 3.8167 3.8217 3.8217 4.4135 4.4135 4.4182 4.4182 4.6863 4.6863 4.6939 4.6939 5.3889 5.3889 5.3916 5.3916 5.5144 5.5144 5.5172 5.5172 5.9298 5.9298 5.9405 5.9405 6.0898 6.0898 6.0962 6.0962 8.6558 8.6558 8.7381 8.7381 8.9930 8.9930 9.0170 9.0170 9.2939 9.2939 9.3095 9.3095 9.6127 9.6127 9.6638 9.6638 9.8504 9.8504 9.8945 9.8945 15.8004 15.8004 15.8073 15.8073 16.5509 16.5509 16.5547 16.5547 18.1101 18.1101 18.1147 18.1147 k = 0.5000-0.0722 0.5613 ( 4780 PWs) bands (ev): -10.5175 -10.5175 -10.5153 -10.5153 -9.9070 -9.9070 -9.9065 -9.9065 -9.4173 -9.4173 -9.4166 -9.4166 -9.2633 -9.2633 -9.2614 -9.2614 1.8404 1.8404 1.8457 1.8457 2.4320 2.4320 2.4324 2.4324 3.0256 3.0256 3.0312 3.0312 3.3965 3.3965 3.4039 3.4039 3.4540 3.4540 3.4563 3.4563 3.8074 3.8074 3.8127 3.8127 4.4156 4.4156 4.4202 4.4202 4.6892 4.6892 4.6974 4.6974 5.4059 5.4059 5.4093 5.4093 5.5194 5.5194 5.5220 5.5220 5.9326 5.9326 5.9437 5.9437 6.0752 6.0752 6.0820 6.0820 8.6544 8.6544 8.7409 8.7409 8.9892 8.9892 9.0115 9.0115 9.2980 9.2980 9.3153 9.3153 9.6131 9.6131 9.6644 9.6644 9.8447 9.8447 9.8919 9.8919 15.8404 15.8404 15.8478 15.8478 16.4903 16.4903 16.4940 16.4940 18.1309 18.1309 18.1351 18.1351 k = 0.5000-0.0577 0.5715 ( 4772 PWs) bands (ev): -10.5160 -10.5160 -10.5137 -10.5137 -9.9136 -9.9136 -9.9131 -9.9131 -9.4027 -9.4027 -9.4022 -9.4022 -9.2730 -9.2730 -9.2709 -9.2709 1.8411 1.8411 1.8465 1.8465 2.4323 2.4323 2.4327 2.4327 3.0385 3.0385 3.0445 3.0445 3.3960 3.3960 3.4026 3.4026 3.4372 3.4372 3.4380 3.4380 3.7994 3.7994 3.8049 3.8049 4.4176 4.4176 4.4219 4.4219 4.6915 4.6915 4.7002 4.7002 5.4217 5.4217 5.4260 5.4260 5.5223 5.5223 5.5244 5.5244 5.9372 5.9372 5.9486 5.9486 6.0607 6.0607 6.0679 6.0679 8.6532 8.6532 8.7434 8.7434 8.9860 8.9860 9.0068 9.0068 9.3017 9.3017 9.3206 9.3206 9.6132 9.6132 9.6646 9.6646 9.8398 9.8398 9.8899 9.8899 15.8806 15.8806 15.8886 15.8886 16.4333 16.4333 16.4366 16.4366 18.1493 18.1493 18.1530 18.1530 k = 0.5000-0.0433 0.5818 ( 4766 PWs) bands (ev): -10.5147 -10.5147 -10.5123 -10.5123 -9.9188 -9.9188 -9.9182 -9.9182 -9.3893 -9.3893 -9.3890 -9.3890 -9.2825 -9.2825 -9.2801 -9.2801 1.8417 1.8417 1.8472 1.8472 2.4326 2.4326 2.4330 2.4330 3.0497 3.0497 3.0560 3.0560 3.3950 3.3950 3.3993 3.3993 3.4233 3.4233 3.4252 3.4252 3.7928 3.7928 3.7985 3.7985 4.4192 4.4192 4.4234 4.4234 4.6933 4.6933 4.7024 4.7024 5.4358 5.4358 5.4410 5.4410 5.5230 5.5230 5.5244 5.5244 5.9432 5.9432 5.9549 5.9549 6.0469 6.0469 6.0544 6.0544 8.6522 8.6522 8.7454 8.7454 8.9835 8.9835 9.0029 9.0029 9.3048 9.3048 9.3250 9.3250 9.6131 9.6131 9.6645 9.6645 9.8360 9.8360 9.8883 9.8883 15.9194 15.9194 15.9281 15.9281 16.3814 16.3814 16.3841 16.3841 18.1647 18.1647 18.1680 18.1680 k = 0.5000-0.0289 0.5920 ( 4760 PWs) bands (ev): -10.5137 -10.5137 -10.5113 -10.5113 -9.9226 -9.9226 -9.9219 -9.9219 -9.3779 -9.3779 -9.3778 -9.3778 -9.2912 -9.2912 -9.2885 -9.2885 1.8421 1.8421 1.8477 1.8477 2.4329 2.4329 2.4332 2.4332 3.0585 3.0585 3.0650 3.0650 3.3930 3.3930 3.3939 3.3939 3.4131 3.4131 3.4189 3.4189 3.7880 3.7880 3.7939 3.7939 4.4205 4.4205 4.4245 4.4245 4.6946 4.6946 4.7040 4.7040 5.4474 5.4474 5.4536 5.4536 5.5223 5.5223 5.5228 5.5228 5.9498 5.9498 5.9617 5.9617 6.0346 6.0346 6.0423 6.0423 8.6514 8.6514 8.7468 8.7468 8.9817 8.9817 9.0000 9.0000 9.3071 9.3071 9.3284 9.3284 9.6129 9.6129 9.6643 9.6643 9.8331 9.8331 9.8872 9.8872 15.9539 15.9539 15.9635 15.9635 16.3374 16.3374 16.3395 16.3395 18.1765 18.1765 18.1795 18.1795 k = 0.5000-0.0144 0.6022 ( 4760 PWs) bands (ev): -10.5132 -10.5132 -10.5107 -10.5107 -9.9249 -9.9249 -9.9242 -9.9242 -9.3699 -9.3699 -9.3696 -9.3696 -9.2978 -9.2978 -9.2947 -9.2947 1.8423 1.8423 1.8480 1.8480 2.4330 2.4330 2.4334 2.4334 3.0641 3.0641 3.0708 3.0708 3.3890 3.3890 3.3905 3.3905 3.4080 3.4080 3.4164 3.4164 3.7850 3.7850 3.7910 3.7910 4.4212 4.4212 4.4252 4.4252 4.6953 4.6953 4.7049 4.7049 5.4552 5.4552 5.4625 5.4625 5.5205 5.5205 5.5209 5.5209 5.9556 5.9556 5.9676 5.9676 6.0255 6.0255 6.0333 6.0333 8.6510 8.6510 8.7477 8.7477 8.9806 8.9806 8.9982 8.9982 9.3085 9.3085 9.3305 9.3305 9.6127 9.6127 9.6640 9.6640 9.8314 9.8314 9.8865 9.8865 15.9793 15.9793 15.9896 15.9896 16.3064 16.3064 16.3078 16.3078 18.1840 18.1840 18.1867 18.1867 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -10.5130 -10.5130 -10.5105 -10.5105 -9.9256 -9.9256 -9.9249 -9.9249 -9.3669 -9.3669 -9.3665 -9.3665 -9.3003 -9.3003 -9.2971 -9.2971 1.8424 1.8424 1.8481 1.8481 2.4330 2.4330 2.4334 2.4334 3.0661 3.0661 3.0728 3.0728 3.3871 3.3871 3.3892 3.3892 3.4067 3.4067 3.4158 3.4158 3.7840 3.7840 3.7900 3.7900 4.4215 4.4215 4.4254 4.4254 4.6956 4.6956 4.7052 4.7052 5.4581 5.4581 5.4658 5.4658 5.5195 5.5195 5.5203 5.5203 5.9580 5.9580 5.9701 5.9701 6.0220 6.0220 6.0298 6.0298 8.6509 8.6509 8.7481 8.7481 8.9803 8.9803 8.9977 8.9977 9.3091 9.3091 9.3313 9.3313 9.6127 9.6127 9.6640 9.6640 9.8309 9.8309 9.8864 9.8864 15.9889 15.9889 15.9996 15.9996 16.2949 16.2949 16.2960 16.2960 18.1866 18.1866 18.1892 18.1892 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -10.5130 -10.5130 -10.5105 -10.5105 -9.9256 -9.9256 -9.9249 -9.9249 -9.3669 -9.3669 -9.3665 -9.3665 -9.3003 -9.3003 -9.2971 -9.2971 1.8424 1.8424 1.8481 1.8481 2.4330 2.4330 2.4334 2.4334 3.0661 3.0661 3.0728 3.0728 3.3871 3.3871 3.3892 3.3892 3.4067 3.4067 3.4158 3.4158 3.7840 3.7840 3.7900 3.7900 4.4215 4.4215 4.4254 4.4254 4.6956 4.6956 4.7052 4.7052 5.4581 5.4581 5.4658 5.4658 5.5195 5.5195 5.5203 5.5203 5.9580 5.9580 5.9701 5.9701 6.0220 6.0220 6.0298 6.0298 8.6509 8.6509 8.7481 8.7481 8.9803 8.9803 8.9977 8.9977 9.3091 9.3091 9.3313 9.3313 9.6127 9.6127 9.6640 9.6640 9.8309 9.8309 9.8864 9.8864 15.9889 15.9889 15.9996 15.9996 16.2949 16.2949 16.2960 16.2960 18.1866 18.1866 18.1892 18.1892 k = 0.4911 0.0155 0.6124 ( 4756 PWs) bands (ev): -10.5253 -10.5253 -10.4987 -10.4987 -9.9352 -9.9352 -9.9139 -9.9139 -9.3730 -9.3730 -9.3638 -9.3638 -9.2991 -9.2991 -9.2959 -9.2959 1.8414 1.8414 1.8484 1.8484 2.4233 2.4233 2.4415 2.4415 3.0582 3.0582 3.0786 3.0786 3.3671 3.3671 3.3785 3.3785 3.4114 3.4114 3.4455 3.4455 3.7685 3.7685 3.8072 3.8072 4.4121 4.4121 4.4344 4.4344 4.6933 4.6933 4.7078 4.7078 5.4518 5.4518 5.4694 5.4694 5.5201 5.5201 5.5207 5.5207 5.9537 5.9537 5.9712 5.9712 6.0230 6.0230 6.0333 6.0333 8.6511 8.6511 8.7481 8.7481 8.9793 8.9793 8.9986 8.9986 9.3071 9.3071 9.3330 9.3330 9.6124 9.6124 9.6643 9.6643 9.8297 9.8297 9.8883 9.8883 15.9631 15.9631 16.0100 16.0100 16.2611 16.2611 16.3462 16.3462 18.1820 18.1820 18.1886 18.1886 k = 0.4821 0.0309 0.6124 ( 4756 PWs) bands (ev): -10.5378 -10.5378 -10.4877 -10.4877 -9.9444 -9.9444 -9.9003 -9.9003 -9.3835 -9.3835 -9.3625 -9.3625 -9.2956 -9.2956 -9.2927 -9.2927 1.8393 1.8393 1.8483 1.8483 2.4121 2.4121 2.4484 2.4484 3.0487 3.0487 3.0823 3.0823 3.3460 3.3460 3.3503 3.3503 3.4366 3.4366 3.4800 3.4800 3.7540 3.7540 3.8260 3.8260 4.3999 4.3999 4.4456 4.4456 4.6883 4.6883 4.7137 4.7137 5.4410 5.4410 5.4725 5.4725 5.5194 5.5194 5.5243 5.5243 5.9455 5.9455 5.9710 5.9710 6.0236 6.0236 6.0455 6.0455 8.6517 8.6517 8.7481 8.7481 8.9770 8.9770 9.0009 9.0009 9.3024 9.3024 9.3375 9.3375 9.6117 9.6117 9.6651 9.6651 9.8260 9.8260 9.8942 9.8942 15.9325 15.9325 16.0023 16.0023 16.2284 16.2284 16.4204 16.4204 18.1699 18.1699 18.1863 18.1863 k = 0.4732 0.0464 0.6124 ( 4760 PWs) bands (ev): -10.5494 -10.5494 -10.4783 -10.4783 -9.9530 -9.9530 -9.8845 -9.8845 -9.3971 -9.3971 -9.3625 -9.3625 -9.2909 -9.2909 -9.2881 -9.2881 1.8368 1.8368 1.8476 1.8476 2.4000 2.4000 2.4539 2.4539 3.0397 3.0397 3.0830 3.0830 3.3176 3.3176 3.3333 3.3333 3.4631 3.4631 3.5151 3.5151 3.7427 3.7427 3.8434 3.8434 4.3865 4.3865 4.4573 4.4573 4.6824 4.6824 4.7213 4.7213 5.4288 5.4288 5.4727 5.4727 5.5162 5.5162 5.5317 5.5317 5.9357 5.9357 5.9696 5.9696 6.0240 6.0240 6.0628 6.0628 8.6527 8.6527 8.7482 8.7482 8.9741 8.9741 9.0037 9.0037 9.2963 9.2963 9.3432 9.3432 9.6110 9.6110 9.6660 9.6660 9.8201 9.8201 9.9034 9.9034 15.9020 15.9020 15.9835 15.9835 16.1976 16.1976 16.5069 16.5069 18.1517 18.1517 18.1821 18.1821 k = 0.4643 0.0619 0.6124 ( 4774 PWs) bands (ev): -10.5601 -10.5601 -10.4706 -10.4706 -9.9610 -9.9610 -9.8668 -9.8668 -9.4128 -9.4128 -9.3634 -9.3634 -9.2860 -9.2860 -9.2827 -9.2827 1.8342 1.8342 1.8461 1.8461 2.3875 2.3875 2.4581 2.4581 3.0313 3.0313 3.0815 3.0815 3.2902 3.2902 3.3194 3.3194 3.4901 3.4901 3.5500 3.5500 3.7344 3.7344 3.8589 3.8589 4.3722 4.3722 4.4693 4.4693 4.6758 4.6758 4.7300 4.7300 5.4163 5.4163 5.4706 5.4706 5.5104 5.5104 5.5415 5.5415 5.9250 5.9250 5.9686 5.9686 6.0245 6.0245 6.0824 6.0824 8.6542 8.6542 8.7481 8.7481 8.9710 8.9710 9.0067 9.0067 9.2898 9.2898 9.3492 9.3492 9.6107 9.6107 9.6669 9.6669 9.8124 9.8124 9.9149 9.9149 15.8721 15.8721 15.9601 15.9601 16.1689 16.1689 16.5995 16.5995 18.1276 18.1276 18.1764 18.1764 k = 0.4554 0.0773 0.6124 ( 4780 PWs) bands (ev): -10.5699 -10.5699 -10.4643 -10.4643 -9.9682 -9.9682 -9.8473 -9.8473 -9.4301 -9.4301 -9.3648 -9.3648 -9.2809 -9.2809 -9.2771 -9.2771 1.8316 1.8316 1.8441 1.8441 2.3750 2.3750 2.4613 2.4613 3.0233 3.0233 3.0789 3.0789 3.2646 3.2646 3.3076 3.3076 3.5172 3.5172 3.5841 3.5841 3.7286 3.7286 3.8723 3.8723 4.3573 4.3573 4.4814 4.4814 4.6688 4.6688 4.7397 4.7397 5.4041 5.4041 5.4673 5.4673 5.5019 5.5019 5.5528 5.5528 5.9138 5.9138 5.9687 5.9687 6.0252 6.0252 6.1026 6.1026 8.6559 8.6559 8.7480 8.7480 8.9681 8.9681 9.0096 9.0096 9.2834 9.2834 9.3551 9.3551 9.6110 9.6110 9.6677 9.6677 9.8036 9.8036 9.9276 9.9276 15.8434 15.8434 15.9353 15.9353 16.1423 16.1423 16.6949 16.6949 18.0980 18.0980 18.1700 18.1700 k = 0.4464 0.0928 0.6124 ( 4776 PWs) bands (ev): -10.5786 -10.5786 -10.4593 -10.4593 -9.9748 -9.9748 -9.8263 -9.8263 -9.4488 -9.4488 -9.3665 -9.3665 -9.2760 -9.2760 -9.2716 -9.2716 1.8291 1.8291 1.8417 1.8417 2.3630 2.3630 2.4636 2.4636 3.0159 3.0159 3.0756 3.0756 3.2413 3.2413 3.2978 3.2978 3.5438 3.5438 3.6166 3.6166 3.7249 3.7249 3.8837 3.8837 4.3419 4.3419 4.4936 4.4936 4.6613 4.6613 4.7502 4.7502 5.3929 5.3929 5.4634 5.4634 5.4911 5.4911 5.5649 5.5649 5.9024 5.9024 5.9700 5.9700 6.0259 6.0259 6.1224 6.1224 8.6578 8.6578 8.7478 8.7478 8.9654 8.9654 9.0124 9.0124 9.2772 9.2772 9.3608 9.3608 9.6121 9.6121 9.6685 9.6685 9.7941 9.7941 9.9409 9.9409 15.8164 15.8164 15.9109 15.9109 16.1181 16.1181 16.7917 16.7917 18.0625 18.0625 18.1631 18.1631 k = 0.4375 0.1083 0.6124 ( 4780 PWs) bands (ev): -10.5864 -10.5864 -10.4553 -10.4553 -9.9806 -9.9806 -9.8042 -9.8042 -9.4685 -9.4685 -9.3682 -9.3682 -9.2714 -9.2714 -9.2664 -9.2664 1.8266 1.8266 1.8391 1.8391 2.3516 2.3516 2.4651 2.4651 3.0090 3.0090 3.0722 3.0722 3.2202 3.2202 3.2897 3.2897 3.5697 3.5697 3.6466 3.6466 3.7230 3.7230 3.8933 3.8933 4.3263 4.3263 4.5058 4.5058 4.6533 4.6533 4.7612 4.7612 5.3829 5.3829 5.4590 5.4590 5.4784 5.4784 5.5771 5.5771 5.8908 5.8908 5.9724 5.9724 6.0266 6.0266 6.1411 6.1411 8.6599 8.6599 8.7475 8.7475 8.9629 8.9629 9.0149 9.0149 9.2715 9.2715 9.3659 9.3659 9.6140 9.6140 9.6694 9.6694 9.7840 9.7840 9.9539 9.9539 15.7915 15.7915 15.8879 15.8879 16.0964 16.0964 16.8888 16.8888 18.0207 18.0207 18.1562 18.1562 k = 0.4286 0.1237 0.6124 ( 4783 PWs) bands (ev): -10.5932 -10.5932 -10.4522 -10.4522 -9.9857 -9.9857 -9.7810 -9.7810 -9.4892 -9.4892 -9.3699 -9.3699 -9.2672 -9.2672 -9.2619 -9.2619 1.8244 1.8244 1.8365 1.8365 2.3412 2.3412 2.4660 2.4660 3.0027 3.0027 3.0689 3.0689 3.2017 3.2017 3.2830 3.2830 3.5947 3.5947 3.6730 3.6730 3.7223 3.7223 3.9016 3.9016 4.3108 4.3108 4.5178 4.5178 4.6449 4.6449 4.7722 4.7722 5.3747 5.3747 5.4536 5.4536 5.4654 5.4654 5.5891 5.5891 5.8795 5.8795 5.9756 5.9756 6.0273 6.0273 6.1582 6.1582 8.6621 8.6621 8.7471 8.7471 8.9608 8.9608 9.0171 9.0171 9.2663 9.2663 9.3703 9.3703 9.6166 9.6166 9.6706 9.6706 9.7735 9.7735 9.9661 9.9661 15.7690 15.7690 15.8670 15.8670 16.0773 16.0773 16.9855 16.9855 17.9725 17.9725 18.1495 18.1495 k = 0.4196 0.1392 0.6124 ( 4781 PWs) bands (ev): -10.5989 -10.5989 -10.4499 -10.4499 -9.9900 -9.9900 -9.7572 -9.7572 -9.5108 -9.5108 -9.3715 -9.3715 -9.2635 -9.2635 -9.2579 -9.2579 1.8224 1.8224 1.8341 1.8341 2.3320 2.3320 2.4665 2.4665 2.9972 2.9972 3.0659 3.0659 3.1857 3.1857 3.2776 3.2776 3.6184 3.6184 3.6947 3.6947 3.7224 3.7224 3.9091 3.9091 4.2957 4.2957 4.5298 4.5298 4.6362 4.6362 4.7829 4.7829 5.3686 5.3686 5.4437 5.4437 5.4562 5.4562 5.6004 5.6004 5.8688 5.8688 5.9791 5.9791 6.0280 6.0280 6.1733 6.1733 8.6641 8.6641 8.7466 8.7466 8.9590 8.9590 9.0190 9.0190 9.2618 9.2618 9.3741 9.3741 9.6197 9.6197 9.6724 9.6724 9.7629 9.7629 9.9773 9.9773 15.7494 15.7494 15.8486 15.8486 16.0608 16.0608 17.0815 17.0815 17.9179 17.9179 18.1435 18.1435 k = 0.4107 0.1546 0.6124 ( 4779 PWs) bands (ev): -10.6037 -10.6037 -10.4482 -10.4482 -9.9935 -9.9935 -9.7329 -9.7329 -9.5330 -9.5330 -9.3728 -9.3728 -9.2604 -9.2604 -9.2545 -9.2545 1.8207 1.8207 1.8319 1.8319 2.3243 2.3243 2.4667 2.4667 2.9926 2.9926 3.0634 3.0634 3.1725 3.1725 3.2735 3.2735 3.6405 3.6405 3.7107 3.7107 3.7232 3.7232 3.9162 3.9162 4.2817 4.2817 4.5415 4.5415 4.6271 4.6271 4.7927 4.7927 5.3649 5.3649 5.4294 5.4294 5.4517 5.4517 5.6108 5.6108 5.8589 5.8589 5.9826 5.9826 6.0286 6.0286 6.1861 6.1861 8.6660 8.6660 8.7461 8.7461 8.9575 8.9575 9.0206 9.0206 9.2581 9.2581 9.3771 9.3771 9.6229 9.6229 9.6749 9.6749 9.7524 9.7524 9.9869 9.9869 15.7329 15.7329 15.8331 15.8331 16.0473 16.0473 17.1759 17.1759 17.8570 17.8570 18.1383 18.1383 k = 0.4018 0.1701 0.6124 ( 4788 PWs) bands (ev): -10.6074 -10.6074 -10.4470 -10.4470 -9.9963 -9.9963 -9.7084 -9.7084 -9.5557 -9.5557 -9.3739 -9.3739 -9.2580 -9.2580 -9.2519 -9.2519 1.8194 1.8194 1.8300 1.8300 2.3181 2.3181 2.4667 2.4667 2.9889 2.9889 3.0614 3.0614 3.1622 3.1622 3.2703 3.2703 3.6606 3.6606 3.7203 3.7203 3.7243 3.7243 3.9230 3.9230 4.2694 4.2694 4.5529 4.5529 4.6177 4.6177 4.8011 4.8011 5.3639 5.3639 5.4146 5.4146 5.4488 5.4488 5.6197 5.6197 5.8505 5.8505 5.9856 5.9856 6.0290 6.0290 6.1963 6.1963 8.6676 8.6676 8.7456 8.7456 8.9563 8.9563 9.0218 9.0218 9.2551 9.2551 9.3794 9.3794 9.6259 9.6259 9.6782 9.6782 9.7423 9.7423 9.9947 9.9947 15.7199 15.7199 15.8208 15.8208 16.0366 16.0366 17.2681 17.2681 17.7907 17.7907 18.1340 18.1340 k = 0.3929 0.1856 0.6124 ( 4780 PWs) bands (ev): -10.6100 -10.6100 -10.4462 -10.4462 -9.9983 -9.9983 -9.6843 -9.6843 -9.5785 -9.5785 -9.3747 -9.3747 -9.2562 -9.2562 -9.2500 -9.2500 1.8184 1.8184 1.8287 1.8287 2.3136 2.3136 2.4667 2.4667 2.9863 2.9863 3.0599 3.0599 3.1547 3.1547 3.2681 3.2681 3.6781 3.6781 3.7233 3.7233 3.7259 3.7259 3.9290 3.9290 4.2597 4.2597 4.5641 4.5641 4.6081 4.6081 4.8075 4.8075 5.3657 5.3657 5.4007 5.4007 5.4468 5.4468 5.6266 5.6266 5.8439 5.8439 5.9880 5.9880 6.0294 6.0294 6.2037 6.2037 8.6688 8.6688 8.7452 8.7452 8.9555 8.9555 9.0228 9.0228 9.2530 9.2530 9.3810 9.3810 9.6283 9.6283 9.6822 9.6822 9.7333 9.7333 10.0004 10.0004 15.7104 15.7104 15.8119 15.8119 16.0289 16.0289 17.3564 17.3564 17.7207 17.7207 18.1309 18.1309 k = 0.3839 0.2010 0.6124 ( 4774 PWs) bands (ev): -10.6116 -10.6116 -10.4457 -10.4457 -9.9995 -9.9995 -9.6619 -9.6619 -9.6001 -9.6001 -9.3752 -9.3752 -9.2551 -9.2551 -9.2489 -9.2489 1.8178 1.8178 1.8278 1.8278 2.3108 2.3108 2.4666 2.4666 2.9846 2.9846 3.0591 3.0591 3.1502 3.1502 3.2668 3.2668 3.6915 3.6915 3.7230 3.7230 3.7262 3.7262 3.9332 3.9332 4.2534 4.2534 4.5745 4.5745 4.5986 4.5986 4.8116 4.8116 5.3702 5.3702 5.3886 5.3886 5.4456 5.4456 5.6309 5.6309 5.8398 5.8398 5.9896 5.9896 6.0296 6.0296 6.2082 6.2082 8.6696 8.6696 8.7450 8.7450 8.9551 8.9551 9.0234 9.0234 9.2517 9.2517 9.3820 9.3820 9.6298 9.6298 9.6859 9.6859 9.7266 9.7266 10.0039 10.0039 15.7046 15.7046 15.8065 15.8065 16.0243 16.0243 17.4360 17.4360 17.6520 17.6520 18.1289 18.1289 k = 0.3750 0.2165 0.6124 ( 4782 PWs) bands (ev): -10.6121 -10.6121 -10.4456 -10.4456 -9.9999 -9.9999 -9.6492 -9.6492 -9.6125 -9.6125 -9.3753 -9.3753 -9.2548 -9.2548 -9.2485 -9.2485 1.8176 1.8176 1.8275 1.8275 2.3099 2.3099 2.4666 2.4666 2.9841 2.9841 3.0588 3.0588 3.1487 3.1487 3.2664 3.2664 3.6972 3.6972 3.7217 3.7217 3.7261 3.7261 3.9347 3.9347 4.2513 4.2513 4.5811 4.5811 4.5923 4.5923 4.8130 4.8130 5.3756 5.3756 5.3807 5.3807 5.4451 5.4451 5.6324 5.6324 5.8383 5.8383 5.9901 5.9901 6.0297 6.0297 6.2097 6.2097 8.6698 8.6698 8.7449 8.7449 8.9549 8.9549 9.0235 9.0235 9.2512 9.2512 9.3822 9.3822 9.6303 9.6303 9.6875 9.6875 9.7238 9.7238 10.0051 10.0051 15.7027 15.7027 15.8047 15.8047 16.0227 16.0227 17.4793 17.4793 17.6122 17.6122 18.1283 18.1283 k = 0.3750 0.2165 0.6124 ( 4782 PWs) bands (ev): -10.6121 -10.6121 -10.4456 -10.4456 -9.9999 -9.9999 -9.6492 -9.6492 -9.6125 -9.6125 -9.3753 -9.3753 -9.2548 -9.2548 -9.2485 -9.2485 1.8176 1.8176 1.8275 1.8275 2.3099 2.3099 2.4666 2.4666 2.9841 2.9841 3.0588 3.0588 3.1487 3.1487 3.2664 3.2664 3.6972 3.6972 3.7217 3.7217 3.7261 3.7261 3.9347 3.9347 4.2513 4.2513 4.5811 4.5811 4.5923 4.5923 4.8130 4.8130 5.3756 5.3756 5.3807 5.3807 5.4451 5.4451 5.6324 5.6324 5.8383 5.8383 5.9901 5.9901 6.0297 6.0297 6.2097 6.2097 8.6698 8.6698 8.7449 8.7449 8.9549 8.9549 9.0235 9.0235 9.2512 9.2512 9.3822 9.3822 9.6303 9.6303 9.6875 9.6875 9.7238 9.7238 10.0051 10.0051 15.7027 15.7027 15.8047 15.8047 16.0227 16.0227 17.4793 17.4793 17.6122 17.6122 18.1283 18.1283 k = 0.3661 0.2114 0.5978 ( 4782 PWs) bands (ev): -10.6277 -10.6277 -10.4320 -10.4320 -10.0091 -10.0091 -9.6400 -9.6400 -9.6058 -9.6058 -9.3595 -9.3595 -9.2645 -9.2645 -9.2569 -9.2569 1.8095 1.8095 1.8258 1.8258 2.2914 2.2914 2.4616 2.4616 2.9796 2.9796 3.0877 3.0877 3.1206 3.1206 3.2270 3.2270 3.7039 3.7039 3.7052 3.7052 3.7680 3.7680 3.9423 3.9423 4.2416 4.2416 4.5881 4.5881 4.5968 4.5968 4.8310 4.8310 5.3782 5.3782 5.3924 5.3924 5.4682 5.4682 5.6489 5.6489 5.8299 5.8299 5.9928 5.9928 6.0164 6.0164 6.2101 6.2101 8.6718 8.6718 8.7507 8.7507 8.9425 8.9425 9.0175 9.0175 9.2525 9.2525 9.4013 9.4013 9.6340 9.6340 9.6798 9.6798 9.7165 9.7165 10.0138 10.0138 15.6875 15.6875 15.8410 15.8410 15.9523 15.9523 17.4722 17.4722 17.6013 17.6013 18.1154 18.1154 k = 0.3571 0.2062 0.5832 ( 4790 PWs) bands (ev): -10.6452 -10.6452 -10.4176 -10.4176 -10.0159 -10.0159 -9.6304 -9.6304 -9.5990 -9.5990 -9.3447 -9.3447 -9.2748 -9.2748 -9.2655 -9.2655 1.7993 1.7993 1.8238 1.8238 2.2714 2.2714 2.4541 2.4541 2.9666 2.9666 3.0921 3.0921 3.1189 3.1189 3.1921 3.1921 3.6865 3.6865 3.7158 3.7158 3.8164 3.8164 3.9502 3.9502 4.2336 4.2336 4.5836 4.5836 4.6117 4.6117 4.8492 4.8492 5.3758 5.3758 5.4087 5.4087 5.4889 5.4889 5.6634 5.6634 5.8243 5.8243 5.9953 5.9953 6.0057 6.0057 6.2104 6.2104 8.6744 8.6744 8.7570 8.7570 8.9299 8.9299 9.0111 9.0111 9.2543 9.2543 9.4212 9.4212 9.6343 9.6343 9.6669 9.6669 9.7187 9.7187 10.0229 10.0229 15.6346 15.6346 15.8776 15.8776 15.9197 15.9197 17.4619 17.4619 17.5863 17.5863 18.0725 18.0725 k = 0.3482 0.2010 0.5686 ( 4784 PWs) bands (ev): -10.6646 -10.6646 -10.4025 -10.4025 -10.0201 -10.0201 -9.6202 -9.6202 -9.5921 -9.5921 -9.3308 -9.3308 -9.2854 -9.2854 -9.2742 -9.2742 1.7869 1.7869 1.8215 1.8215 2.2501 2.2501 2.4439 2.4439 2.9439 2.9439 3.0632 3.0632 3.1522 3.1522 3.1619 3.1619 3.6727 3.6727 3.7311 3.7311 3.8673 3.8673 3.9584 3.9584 4.2273 4.2273 4.5788 4.5788 4.6254 4.6254 4.8677 4.8677 5.3737 5.3737 5.4244 5.4244 5.5065 5.5065 5.6758 5.6758 5.8226 5.8226 5.9949 5.9949 6.0005 6.0005 6.2108 6.2108 8.6776 8.6776 8.7639 8.7639 8.9173 8.9173 9.0048 9.0048 9.2564 9.2564 9.4418 9.4418 9.6251 9.6251 9.6616 9.6616 9.7237 9.7237 10.0321 10.0321 15.5500 15.5500 15.9133 15.9133 15.9191 15.9191 17.4484 17.4484 17.5672 17.5672 18.0164 18.0164 k = 0.3393 0.1959 0.5541 ( 4778 PWs) bands (ev): -10.6856 -10.6856 -10.3866 -10.3866 -10.0220 -10.0220 -9.6096 -9.6096 -9.5852 -9.5852 -9.3180 -9.3180 -9.2964 -9.2964 -9.2829 -9.2829 1.7724 1.7724 1.8188 1.8188 2.2276 2.2276 2.4310 2.4310 2.9120 2.9120 3.0341 3.0341 3.1350 3.1350 3.1877 3.1877 3.6639 3.6639 3.7505 3.7505 3.9205 3.9205 3.9669 3.9669 4.2229 4.2229 4.5738 4.5738 4.6378 4.6378 4.8865 4.8865 5.3717 5.3717 5.4394 5.4394 5.5200 5.5200 5.6864 5.6864 5.8255 5.8255 5.9901 5.9901 6.0022 6.0022 6.2112 6.2112 8.6814 8.6814 8.7713 8.7713 8.9048 8.9048 8.9984 8.9984 9.2588 9.2588 9.4625 9.4625 9.6088 9.6088 9.6643 9.6643 9.7295 9.7295 10.0414 10.0414 15.4498 15.4498 15.9323 15.9323 15.9502 15.9502 17.4315 17.4315 17.5437 17.5437 17.9554 17.9554 k = 0.3304 0.1907 0.5395 ( 4778 PWs) bands (ev): -10.7082 -10.7082 -10.3701 -10.3701 -10.0216 -10.0216 -9.5985 -9.5985 -9.5784 -9.5784 -9.3088 -9.3088 -9.3051 -9.3051 -9.2914 -9.2914 1.7557 1.7557 1.8157 1.8157 2.2038 2.2038 2.4153 2.4153 2.8727 2.8727 3.0047 3.0047 3.1092 3.1092 3.2251 3.2251 3.6610 3.6610 3.7741 3.7741 3.9753 3.9753 3.9763 3.9763 4.2206 4.2206 4.5686 4.5686 4.6485 4.6485 4.9056 4.9056 5.3700 5.3700 5.4536 5.4536 5.5290 5.5290 5.6954 5.6954 5.8334 5.8334 5.9869 5.9869 6.0048 6.0048 6.2116 6.2116 8.6857 8.6857 8.7793 8.7793 8.8927 8.8927 8.9919 8.9919 9.2615 9.2615 9.4823 9.4823 9.5924 9.5924 9.6698 9.6698 9.7354 9.7354 10.0508 10.0508 15.3427 15.3427 15.9526 15.9526 15.9851 15.9851 17.4110 17.4110 17.5160 17.5160 17.8920 17.8920 k = 0.3214 0.1856 0.5249 ( 4786 PWs) bands (ev): -10.7322 -10.7322 -10.3530 -10.3530 -10.0191 -10.0191 -9.5871 -9.5871 -9.5719 -9.5719 -9.3197 -9.3197 -9.3004 -9.3004 -9.2942 -9.2942 1.7369 1.7369 1.8121 1.8121 2.1790 2.1790 2.3969 2.3969 2.8283 2.8283 2.9750 2.9750 3.0822 3.0822 3.2641 3.2641 3.6641 3.6641 3.8016 3.8016 3.9846 3.9846 4.0336 4.0336 4.2205 4.2205 4.5633 4.5633 4.6575 4.6575 4.9252 4.9252 5.3685 5.3685 5.4671 5.4671 5.5337 5.5337 5.7035 5.7035 5.8464 5.8464 5.9858 5.9858 6.0074 6.0074 6.2120 6.2120 8.6903 8.6903 8.7876 8.7876 8.8812 8.8812 8.9854 8.9854 9.2644 9.2644 9.4983 9.4983 9.5805 9.5805 9.6764 9.6764 9.7414 9.7414 10.0602 10.0602 15.2324 15.2324 15.9753 15.9753 16.0190 16.0190 17.3869 17.3869 17.4842 17.4842 17.8271 17.8271 k = 0.3125 0.1804 0.5103 ( 4788 PWs) bands (ev): -10.7573 -10.7573 -10.3352 -10.3352 -10.0146 -10.0146 -9.5754 -9.5754 -9.5656 -9.5656 -9.3317 -9.3317 -9.3081 -9.3081 -9.2845 -9.2845 1.7160 1.7160 1.8081 1.8081 2.1531 2.1531 2.3759 2.3759 2.7805 2.7805 2.9450 2.9450 3.0526 3.0526 3.3046 3.3046 3.6731 3.6731 3.8330 3.8330 3.9937 3.9937 4.0930 4.0930 4.2230 4.2230 4.5581 4.5581 4.6645 4.6645 4.9452 4.9452 5.3673 5.3673 5.4798 5.4798 5.5345 5.5345 5.7113 5.7113 5.8637 5.8637 5.9866 5.9866 6.0101 6.0101 6.2124 6.2124 8.6953 8.6953 8.7957 8.7957 8.8709 8.8709 8.9789 8.9789 9.2675 9.2675 9.5051 9.5051 9.5794 9.5794 9.6836 9.6836 9.7473 9.7473 10.0696 10.0696 15.1206 15.1206 15.9986 15.9986 16.0514 16.0514 17.3592 17.3592 17.4485 17.4485 17.7614 17.7614 k = 0.3036 0.1753 0.4957 ( 4782 PWs) bands (ev): -10.7834 -10.7834 -10.3169 -10.3169 -10.0085 -10.0085 -9.5637 -9.5637 -9.5596 -9.5596 -9.3438 -9.3438 -9.3156 -9.3156 -9.2753 -9.2753 1.6931 1.6931 1.8035 1.8035 2.1265 2.1265 2.3524 2.3524 2.7305 2.7305 2.9146 2.9146 3.0198 3.0198 3.3463 3.3463 3.6872 3.6872 3.8679 3.8679 4.0029 4.0029 4.1542 4.1542 4.2282 4.2282 4.5529 4.5529 4.6696 4.6696 4.9657 4.9657 5.3665 5.3665 5.4918 5.4918 5.5322 5.5322 5.7195 5.7195 5.8845 5.8845 5.9887 5.9887 6.0127 6.0127 6.2128 6.2128 8.7005 8.7005 8.8026 8.8026 8.8630 8.8630 8.9725 8.9725 9.2711 9.2711 9.5005 9.5005 9.5915 9.5915 9.6913 9.6913 9.7531 9.7531 10.0789 10.0789 15.0081 15.0081 16.0215 16.0215 16.0820 16.0820 17.3280 17.3280 17.4091 17.4091 17.6953 17.6953 k = 0.2946 0.1701 0.4811 ( 4782 PWs) bands (ev): -10.8102 -10.8102 -10.2981 -10.2981 -10.0007 -10.0007 -9.5557 -9.5557 -9.5502 -9.5502 -9.3562 -9.3562 -9.3223 -9.3223 -9.2669 -9.2669 1.6684 1.6684 1.7984 1.7984 2.0991 2.0991 2.3266 2.3266 2.6790 2.6790 2.8838 2.8838 2.9840 2.9840 3.3889 3.3889 3.7058 3.7058 3.9059 3.9059 4.0123 4.0123 4.2161 4.2161 4.2371 4.2371 4.5480 4.5480 4.6726 4.6726 4.9868 4.9868 5.3661 5.3661 5.5031 5.5031 5.5277 5.5277 5.7288 5.7288 5.9081 5.9081 5.9917 5.9917 6.0154 6.0154 6.2132 6.2132 8.7058 8.7058 8.8062 8.8062 8.8596 8.8596 8.9663 8.9663 9.2748 9.2748 9.4898 9.4898 9.6114 9.6114 9.6993 9.6993 9.7588 9.7588 10.0882 10.0882 14.8953 14.8953 16.0435 16.0435 16.1105 16.1105 17.2934 17.2934 17.3663 17.3663 17.6291 17.6291 k = 0.2857 0.1650 0.4666 ( 4788 PWs) bands (ev): -10.8376 -10.8376 -10.2788 -10.2788 -9.9916 -9.9916 -9.5514 -9.5514 -9.5378 -9.5378 -9.3688 -9.3688 -9.3282 -9.3282 -9.2593 -9.2593 1.6420 1.6420 1.7927 1.7927 2.0711 2.0711 2.2986 2.2986 2.6267 2.6267 2.8525 2.8525 2.9455 2.9455 3.4321 3.4321 3.7280 3.7280 3.9465 3.9465 4.0217 4.0217 4.2461 4.2461 4.2824 4.2824 4.5434 4.5434 4.6737 4.6737 5.0086 5.0086 5.3660 5.3660 5.5136 5.5136 5.5219 5.5219 5.7395 5.7395 5.9335 5.9335 5.9952 5.9952 6.0180 6.0180 6.2137 6.2137 8.7111 8.7111 8.8047 8.8047 8.8623 8.8623 8.9600 8.9600 9.2790 9.2790 9.4777 9.4777 9.6343 9.6343 9.7078 9.7078 9.7644 9.7644 10.0975 10.0975 14.7825 14.7825 16.0641 16.0641 16.1368 16.1368 17.2557 17.2557 17.3205 17.3205 17.5629 17.5629 k = 0.2768 0.1598 0.4520 ( 4772 PWs) bands (ev): -10.8653 -10.8653 -10.2592 -10.2592 -9.9813 -9.9813 -9.5483 -9.5483 -9.5249 -9.5249 -9.3814 -9.3814 -9.3330 -9.3330 -9.2526 -9.2526 1.6142 1.6142 1.7865 1.7865 2.0428 2.0428 2.2688 2.2688 2.5739 2.5739 2.8208 2.8208 2.9049 2.9049 3.4756 3.4756 3.7530 3.7530 3.9893 3.9893 4.0311 4.0311 4.2610 4.2610 4.3475 4.3475 4.5392 4.5392 4.6728 4.6728 5.0312 5.0312 5.3663 5.3663 5.5152 5.5152 5.5236 5.5236 5.7522 5.7522 5.9601 5.9601 5.9990 5.9990 6.0207 6.0207 6.2142 6.2142 8.7164 8.7164 8.7988 8.7988 8.8702 8.8702 8.9541 8.9541 9.2840 9.2840 9.4661 9.4661 9.6581 9.6581 9.7171 9.7171 9.7701 9.7701 10.1065 10.1065 14.6700 14.6700 16.0832 16.0832 16.1606 16.1606 17.2150 17.2150 17.2719 17.2719 17.4969 17.4969 k = 0.2679 0.1546 0.4374 ( 4774 PWs) bands (ev): -10.8933 -10.8933 -10.2391 -10.2391 -9.9699 -9.9699 -9.5465 -9.5465 -9.5119 -9.5119 -9.3941 -9.3941 -9.3365 -9.3365 -9.2465 -9.2465 1.5850 1.5850 1.7797 1.7797 2.0141 2.0141 2.2372 2.2372 2.5208 2.5208 2.7886 2.7886 2.8627 2.8627 3.5189 3.5189 3.7801 3.7801 4.0333 4.0333 4.0407 4.0407 4.2794 4.2794 4.4139 4.4139 4.5355 4.5355 4.6703 4.6703 5.0547 5.0547 5.3669 5.3669 5.5081 5.5081 5.5329 5.5329 5.7670 5.7670 5.9873 5.9873 6.0029 6.0029 6.0234 6.0234 6.2148 6.2148 8.7214 8.7214 8.7909 8.7909 8.8810 8.8810 8.9482 8.9482 9.2898 9.2898 9.4556 9.4556 9.6808 9.6808 9.7281 9.7281 9.7757 9.7757 10.1155 10.1155 14.5578 14.5578 16.1004 16.1004 16.1818 16.1818 17.1716 17.1716 17.2209 17.2209 17.4312 17.4312 k = 0.2589 0.1495 0.4228 ( 4776 PWs) bands (ev): -10.9213 -10.9213 -10.2188 -10.2188 -9.9575 -9.9575 -9.5460 -9.5460 -9.4986 -9.4986 -9.4068 -9.4068 -9.3387 -9.3387 -9.2413 -9.2413 1.5547 1.5547 1.7723 1.7723 1.9852 1.9852 2.2042 2.2042 2.4676 2.4676 2.7559 2.7559 2.8193 2.8193 3.5618 3.5618 3.8085 3.8085 4.0497 4.0497 4.0783 4.0783 4.3021 4.3021 4.4811 4.4811 4.5323 4.5323 4.6661 4.6661 5.0792 5.0792 5.3680 5.3680 5.5011 5.5011 5.5417 5.5417 5.7840 5.7840 6.0064 6.0064 6.0151 6.0151 6.0261 6.0261 6.2154 6.2154 8.7261 8.7261 8.7820 8.7820 8.8928 8.8928 8.9427 8.9427 9.2968 9.2968 9.4468 9.4468 9.6999 9.6999 9.7429 9.7429 9.7815 9.7815 10.1242 10.1242 14.4462 14.4462 16.1158 16.1158 16.2001 16.2001 17.1257 17.1257 17.1678 17.1678 17.3660 17.3660 k = 0.2500 0.1443 0.4082 ( 4768 PWs) bands (ev): -10.9493 -10.9493 -10.1983 -10.1983 -9.9445 -9.9445 -9.5468 -9.5468 -9.4853 -9.4853 -9.4195 -9.4195 -9.3395 -9.3395 -9.2367 -9.2367 1.5235 1.5235 1.7644 1.7644 1.9563 1.9563 2.1699 2.1699 2.4146 2.4146 2.7228 2.7228 2.7753 2.7753 3.6038 3.6038 3.8379 3.8379 4.0590 4.0590 4.1226 4.1226 4.3298 4.3298 4.5294 4.5294 4.5492 4.5492 4.6607 4.6607 5.1047 5.1047 5.3695 5.3695 5.4942 5.4942 5.5500 5.5500 5.8033 5.8033 6.0101 6.0101 6.0288 6.0288 6.0427 6.0427 6.2162 6.2162 8.7302 8.7302 8.7732 8.7732 8.9047 8.9047 8.9376 8.9376 9.3051 9.3051 9.4400 9.4400 9.7136 9.7136 9.7626 9.7626 9.7877 9.7877 10.1328 10.1328 14.3353 14.3353 16.1291 16.1291 16.2156 16.2156 17.0779 17.0779 17.1131 17.1131 17.3014 17.3014 k = 0.2411 0.1392 0.3937 ( 4764 PWs) bands (ev): -10.9771 -10.9771 -10.1776 -10.1776 -9.9307 -9.9307 -9.5490 -9.5490 -9.4719 -9.4719 -9.4322 -9.4322 -9.3389 -9.3389 -9.2327 -9.2327 1.4915 1.4915 1.7560 1.7560 1.9276 1.9276 2.1346 2.1346 2.3617 2.3617 2.6892 2.6892 2.7311 2.7311 3.6448 3.6448 3.8676 3.8676 4.0682 4.0682 4.1656 4.1656 4.3629 4.3629 4.5275 4.5275 4.6173 4.6173 4.6543 4.6543 5.1315 5.1315 5.3714 5.3714 5.4878 5.4878 5.5579 5.5579 5.8247 5.8247 6.0134 6.0134 6.0316 6.0316 6.0700 6.0700 6.2171 6.2171 8.7337 8.7337 8.7647 8.7647 8.9153 8.9153 8.9337 8.9337 9.3151 9.3151 9.4354 9.4354 9.7228 9.7228 9.7848 9.7848 9.7955 9.7955 10.1411 10.1411 14.2250 14.2250 16.1403 16.1403 16.2281 16.2281 17.0282 17.0282 17.0570 17.0570 17.2373 17.2373 k = 0.2321 0.1340 0.3791 ( 4764 PWs) bands (ev): -11.0045 -11.0045 -10.1568 -10.1568 -9.9164 -9.9164 -9.5524 -9.5524 -9.4585 -9.4585 -9.4447 -9.4447 -9.3370 -9.3370 -9.2294 -9.2294 1.4590 1.4590 1.7470 1.7470 1.8990 1.8990 2.0986 2.0986 2.3093 2.3093 2.6553 2.6553 2.6870 2.6870 3.6844 3.6844 3.8972 3.8972 4.0772 4.0772 4.2062 4.2062 4.4018 4.4018 4.5262 4.5262 4.6471 4.6471 4.6856 4.6856 5.1597 5.1597 5.3737 5.3737 5.4818 5.4818 5.5654 5.5654 5.8482 5.8482 6.0165 6.0165 6.0346 6.0346 6.0969 6.0969 6.2182 6.2182 8.7358 8.7358 8.7572 8.7572 8.9207 8.9207 8.9342 8.9342 9.3268 9.3268 9.4331 9.4331 9.7293 9.7293 9.7979 9.7979 9.8147 9.8147 10.1492 10.1492 14.1157 14.1157 16.1495 16.1495 16.2377 16.2377 16.9770 16.9770 17.0000 17.0000 17.1739 17.1739 k = 0.2232 0.1289 0.3645 ( 4768 PWs) bands (ev): -11.0316 -11.0316 -10.1360 -10.1360 -9.9017 -9.9017 -9.5568 -9.5568 -9.4571 -9.4571 -9.4450 -9.4450 -9.3340 -9.3340 -9.2267 -9.2267 1.4261 1.4261 1.7375 1.7375 1.8707 1.8707 2.0620 2.0620 2.2573 2.2573 2.6211 2.6211 2.6432 2.6432 3.7225 3.7225 3.9264 3.9264 4.0860 4.0860 4.2440 4.2440 4.4464 4.4464 4.5255 4.5255 4.6394 4.6394 4.7536 4.7536 5.1894 5.1894 5.3763 5.3763 5.4764 5.4764 5.5727 5.5727 5.8735 5.8735 6.0195 6.0195 6.0376 6.0376 6.1232 6.1232 6.2196 6.2196 8.7355 8.7355 8.7517 8.7517 8.9187 8.9187 8.9411 8.9411 9.3403 9.3403 9.4336 9.4336 9.7341 9.7341 9.8052 9.8052 9.8406 9.8406 10.1571 10.1571 14.0073 14.0073 16.1566 16.1566 16.2444 16.2444 16.9247 16.9247 16.9424 16.9424 17.1112 17.1112 k = 0.2143 0.1237 0.3499 ( 4774 PWs) bands (ev): -11.0582 -11.0582 -10.1152 -10.1152 -9.8867 -9.8867 -9.5622 -9.5622 -9.4694 -9.4694 -9.4317 -9.4317 -9.3300 -9.3300 -9.2244 -9.2244 1.3931 1.3931 1.7276 1.7276 1.8429 1.8429 2.0251 2.0251 2.2059 2.2059 2.5867 2.5867 2.6001 2.6001 3.7590 3.7590 3.9549 3.9549 4.0945 4.0945 4.2791 4.2791 4.4959 4.4959 4.5255 4.5255 4.6315 4.6315 4.8212 4.8212 5.2207 5.2207 5.3793 5.3793 5.4716 5.4716 5.5796 5.5796 5.9004 5.9004 6.0224 6.0224 6.0408 6.0408 6.1489 6.1489 6.2213 6.2213 8.7319 8.7319 8.7493 8.7493 8.9147 8.9147 8.9486 8.9486 9.3552 9.3552 9.4372 9.4372 9.7376 9.7376 9.8123 9.8123 9.8673 9.8673 10.1647 10.1647 13.9000 13.9000 16.1617 16.1617 16.2483 16.2483 16.8714 16.8714 16.8847 16.8847 17.0492 17.0492 k = 0.2054 0.1186 0.3353 ( 4772 PWs) bands (ev): -11.0841 -11.0841 -10.0945 -10.0945 -9.8714 -9.8714 -9.5682 -9.5682 -9.4814 -9.4814 -9.4184 -9.4184 -9.3253 -9.3253 -9.2227 -9.2227 1.3599 1.3599 1.7173 1.7173 1.8157 1.8157 1.9881 1.9881 2.1552 2.1552 2.5523 2.5523 2.5579 2.5579 3.7938 3.7938 3.9822 3.9822 4.1029 4.1029 4.3116 4.3116 4.5257 4.5257 4.5499 4.5499 4.6237 4.6237 4.8879 4.8879 5.2537 5.2537 5.3827 5.3827 5.4674 5.4674 5.5864 5.5864 5.9287 5.9287 6.0253 6.0253 6.0441 6.0441 6.1738 6.1738 6.2236 6.2236 8.7261 8.7261 8.7487 8.7487 8.9105 8.9105 8.9547 8.9547 9.3711 9.3711 9.4445 9.4445 9.7402 9.7402 9.8196 9.8196 9.8940 9.8940 10.1720 10.1720 13.7939 13.7939 16.1649 16.1649 16.2494 16.2494 16.8172 16.8172 16.8275 16.8275 16.9880 16.9880 k = 0.1964 0.1134 0.3208 ( 4772 PWs) bands (ev): -11.1095 -11.1095 -10.0741 -10.0741 -9.8560 -9.8560 -9.5746 -9.5746 -9.4932 -9.4932 -9.4053 -9.4053 -9.3200 -9.3200 -9.2215 -9.2215 1.3270 1.3270 1.7066 1.7066 1.7890 1.7890 1.9512 1.9512 2.1054 2.1054 2.5167 2.5167 2.5179 2.5179 3.8269 3.8269 4.0083 4.0083 4.1110 4.1110 4.3419 4.3419 4.5270 4.5270 4.6048 4.6048 4.6176 4.6176 4.9535 4.9535 5.2885 5.2885 5.3863 5.3863 5.4639 5.4639 5.5931 5.5931 5.9579 5.9579 6.0284 6.0284 6.0475 6.0475 6.1979 6.1979 6.2264 6.2264 8.7199 8.7199 8.7483 8.7483 8.9064 8.9064 8.9592 8.9592 9.3871 9.3871 9.4561 9.4561 9.7418 9.7418 9.8272 9.8272 9.9205 9.9205 10.1791 10.1791 13.6891 13.6891 16.1662 16.1662 16.2479 16.2479 16.7620 16.7620 16.7716 16.7716 16.9276 16.9276 k = 0.1875 0.1083 0.3062 ( 4774 PWs) bands (ev): -11.1341 -11.1341 -10.0539 -10.0539 -9.8406 -9.8406 -9.5814 -9.5814 -9.5047 -9.5047 -9.3924 -9.3924 -9.3142 -9.3142 -9.2206 -9.2206 1.2943 1.2943 1.6956 1.6956 1.7631 1.7631 1.9147 1.9147 2.0565 2.0565 2.4768 2.4768 2.4836 2.4836 3.8583 3.8583 4.0328 4.0328 4.1188 4.1188 4.3703 4.3703 4.5288 4.5288 4.6081 4.6081 4.6656 4.6656 5.0177 5.0177 5.3250 5.3250 5.3903 5.3903 5.4609 5.4609 5.5997 5.5997 5.9872 5.9872 6.0324 6.0324 6.0510 6.0510 6.2209 6.2209 6.2300 6.2300 8.7138 8.7138 8.7474 8.7474 8.9025 8.9025 8.9618 8.9618 9.4026 9.4026 9.4722 9.4722 9.7427 9.7427 9.8351 9.8351 9.9465 9.9465 10.1860 10.1860 13.5858 13.5858 16.1657 16.1657 16.2440 16.2440 16.7061 16.7061 16.7171 16.7171 16.8681 16.8681 k = 0.1786 0.1031 0.2916 ( 4784 PWs) bands (ev): -11.1579 -11.1579 -10.0341 -10.0341 -9.8252 -9.8252 -9.5883 -9.5883 -9.5159 -9.5159 -9.3797 -9.3797 -9.3082 -9.3082 -9.2201 -9.2201 1.2620 1.2620 1.6844 1.6844 1.7380 1.7380 1.8787 1.8787 2.0087 2.0087 2.4382 2.4382 2.4496 2.4496 3.8881 3.8881 4.0556 4.0556 4.1264 4.1264 4.3968 4.3968 4.5310 4.5310 4.6017 4.6017 4.7251 4.7251 5.0800 5.0800 5.3633 5.3633 5.3946 5.3946 5.4586 5.4586 5.6064 5.6064 6.0136 6.0136 6.0401 6.0401 6.0546 6.0546 6.2339 6.2339 6.2437 6.2437 8.7080 8.7080 8.7458 8.7458 8.8988 8.8988 8.9627 8.9627 9.4175 9.4175 9.4925 9.4925 9.7430 9.7430 9.8435 9.8435 9.9718 9.9718 10.1925 10.1925 13.4841 13.4841 16.1636 16.1636 16.2379 16.2379 16.6503 16.6503 16.6640 16.6640 16.8095 16.8095 k = 0.1696 0.0979 0.2770 ( 4792 PWs) bands (ev): -11.1809 -11.1809 -10.0148 -10.0148 -9.8100 -9.8100 -9.5951 -9.5951 -9.5268 -9.5268 -9.3674 -9.3674 -9.3021 -9.3021 -9.2200 -9.2200 1.2302 1.2302 1.6729 1.6729 1.7137 1.7137 1.8434 1.8434 1.9621 1.9621 2.4012 2.4012 2.4161 2.4161 3.9164 3.9164 4.0765 4.0765 4.1336 4.1336 4.4214 4.4214 4.5337 4.5337 4.5959 4.5959 4.7850 4.7850 5.1402 5.1402 5.3981 5.3981 5.4041 5.4041 5.4569 5.4569 5.6132 5.6132 6.0278 6.0278 6.0576 6.0576 6.0611 6.0611 6.2394 6.2394 6.2648 6.2648 8.7026 8.7026 8.7435 8.7435 8.8953 8.8953 8.9620 8.9620 9.4322 9.4322 9.5159 9.5159 9.7427 9.7427 9.8528 9.8528 9.9963 9.9963 10.1988 10.1988 13.3842 13.3842 16.1600 16.1600 16.2299 16.2299 16.5953 16.5953 16.6122 16.6122 16.7518 16.7518 k = 0.1607 0.0928 0.2624 ( 4784 PWs) bands (ev): -11.2030 -11.2030 -9.9961 -9.9961 -9.7950 -9.7950 -9.6018 -9.6018 -9.5373 -9.5373 -9.3553 -9.3553 -9.2959 -9.2959 -9.2201 -9.2201 1.1992 1.1992 1.6614 1.6614 1.6905 1.6905 1.8090 1.8090 1.9169 1.9169 2.3657 2.3657 2.3832 2.3832 3.9434 3.9434 4.0956 4.0956 4.1405 4.1405 4.4442 4.4442 4.5368 4.5368 4.5910 4.5910 4.8447 4.8447 5.1978 5.1978 5.4034 5.4034 5.4435 5.4435 5.4566 5.4566 5.6204 5.6204 6.0336 6.0336 6.0616 6.0616 6.0901 6.0901 6.2460 6.2460 6.2850 6.2850 8.6977 8.6977 8.7404 8.7404 8.8921 8.8921 8.9600 8.9600 9.4473 9.4473 9.5410 9.5410 9.7421 9.7421 9.8631 9.8631 10.0201 10.0201 10.2049 10.2049 13.2862 13.2862 16.1552 16.1552 16.2201 16.2201 16.5416 16.5416 16.5616 16.5616 16.6952 16.6952 k = 0.1518 0.0876 0.2479 ( 4792 PWs) bands (ev): -11.2241 -11.2241 -9.9781 -9.9781 -9.7802 -9.7802 -9.6083 -9.6083 -9.5474 -9.5474 -9.3436 -9.3436 -9.2898 -9.2898 -9.2205 -9.2205 1.1690 1.1690 1.6497 1.6497 1.6682 1.6682 1.7757 1.7757 1.8732 1.8732 2.3318 2.3318 2.3510 2.3510 3.9689 3.9689 4.1126 4.1126 4.1471 4.1471 4.4650 4.4650 4.5402 4.5402 4.5869 4.5869 4.9034 4.9034 5.2525 5.2525 5.4083 5.4083 5.4538 5.4538 5.4872 5.4872 5.6284 5.6284 6.0375 6.0375 6.0651 6.0651 6.1213 6.1213 6.2539 6.2539 6.3042 6.3042 8.6933 8.6933 8.7367 8.7367 8.8891 8.8891 8.9566 8.9566 9.4629 9.4629 9.5665 9.5665 9.7412 9.7412 9.8750 9.8750 10.0427 10.0427 10.2107 10.2107 13.1904 13.1904 16.1491 16.1491 16.2089 16.2089 16.4896 16.4896 16.5125 16.5125 16.6397 16.6397 k = 0.1429 0.0825 0.2333 ( 4796 PWs) bands (ev): -11.2442 -11.2442 -9.9608 -9.9608 -9.7659 -9.7659 -9.6143 -9.6143 -9.5570 -9.5570 -9.3323 -9.3323 -9.2839 -9.2839 -9.2212 -9.2212 1.1397 1.1397 1.6379 1.6379 1.6473 1.6473 1.7436 1.7436 1.8312 1.8312 2.2997 2.2997 2.3198 2.3198 3.9932 3.9932 4.1277 4.1277 4.1533 4.1533 4.4838 4.4838 4.5439 4.5439 4.5838 4.5838 4.9607 4.9607 5.3038 5.3038 5.4135 5.4135 5.4536 5.4536 5.5281 5.5281 5.6384 5.6384 6.0411 6.0411 6.0684 6.0684 6.1529 6.1529 6.2633 6.2633 6.3224 6.3224 8.6893 8.6893 8.7324 8.7324 8.8863 8.8863 8.9521 8.9521 9.4794 9.4794 9.5912 9.5912 9.7401 9.7401 9.8888 9.8888 10.0643 10.0643 10.2163 10.2163 13.0970 13.0970 16.1421 16.1421 16.1964 16.1964 16.4396 16.4396 16.4650 16.4650 16.5855 16.5855 k = 0.1339 0.0773 0.2187 ( 4797 PWs) bands (ev): -11.2633 -11.2633 -9.9444 -9.9444 -9.7520 -9.7520 -9.6198 -9.6198 -9.5662 -9.5662 -9.3215 -9.3215 -9.2782 -9.2782 -9.2220 -9.2220 1.1115 1.1115 1.6242 1.6242 1.6294 1.6294 1.7129 1.7129 1.7909 1.7909 2.2693 2.2693 2.2896 2.2896 4.0163 4.0163 4.1408 4.1408 4.1592 4.1592 4.5008 4.5008 4.5478 4.5478 4.5816 4.5816 5.0162 5.0162 5.3512 5.3512 5.4192 5.4192 5.4536 5.4536 5.5657 5.5657 5.6527 5.6527 6.0446 6.0446 6.0713 6.0713 6.1842 6.1842 6.2742 6.2742 6.3395 6.3395 8.6857 8.6857 8.7277 8.7277 8.8838 8.8838 8.9467 8.9467 9.4966 9.4966 9.6141 9.6141 9.7389 9.7389 9.9052 9.9052 10.0846 10.0846 10.2217 10.2217 13.0062 13.0062 16.1343 16.1343 16.1830 16.1830 16.3919 16.3919 16.4194 16.4194 16.5326 16.5326 k = 0.1250 0.0722 0.2041 ( 4805 PWs) bands (ev): -11.2814 -11.2814 -9.9290 -9.9290 -9.7386 -9.7386 -9.6248 -9.6248 -9.5749 -9.5749 -9.3111 -9.3111 -9.2727 -9.2727 -9.2229 -9.2229 1.0845 1.0845 1.6065 1.6065 1.6169 1.6169 1.6836 1.6836 1.7525 1.7525 2.2408 2.2408 2.2606 2.2606 4.0381 4.0381 4.1520 4.1520 4.1649 4.1649 4.5158 4.5158 4.5517 4.5517 4.5803 4.5803 5.0695 5.0695 5.3926 5.3926 5.4272 5.4272 5.4540 5.4540 5.5952 5.5952 5.6757 5.6757 6.0482 6.0482 6.0740 6.0740 6.2148 6.2148 6.2868 6.2868 6.3555 6.3555 8.6825 8.6825 8.7225 8.7225 8.8815 8.8815 8.9405 8.9405 9.5144 9.5144 9.6340 9.6340 9.7377 9.7377 9.9244 9.9244 10.1037 10.1037 10.2270 10.2270 12.9182 12.9182 16.1259 16.1259 16.1690 16.1690 16.3468 16.3468 16.3758 16.3758 16.4813 16.4813 k = 0.1161 0.0670 0.1895 ( 4805 PWs) bands (ev): -11.2983 -11.2983 -9.9147 -9.9147 -9.7257 -9.7257 -9.6291 -9.6291 -9.5832 -9.5832 -9.3013 -9.3013 -9.2675 -9.2675 -9.2240 -9.2240 1.0588 1.0588 1.5888 1.5888 1.6059 1.6059 1.6560 1.6560 1.7162 1.7162 2.2140 2.2140 2.2329 2.2329 4.0588 4.0588 4.1613 4.1613 4.1703 4.1703 4.5289 4.5289 4.5558 4.5558 4.5798 4.5798 5.1202 5.1202 5.4179 5.4179 5.4468 5.4468 5.4550 5.4550 5.6140 5.6140 5.7093 5.7093 6.0518 6.0518 6.0764 6.0764 6.2445 6.2445 6.3009 6.3009 6.3705 6.3705 8.6798 8.6798 8.7171 8.7171 8.8794 8.8794 8.9338 8.9338 9.5326 9.5326 9.6506 9.6506 9.7367 9.7367 9.9467 9.9467 10.1213 10.1213 10.2322 10.2322 12.8334 12.8334 16.1170 16.1170 16.1545 16.1545 16.3044 16.3044 16.3344 16.3344 16.4318 16.4318 k = 0.1071 0.0619 0.1750 ( 4795 PWs) bands (ev): -11.3141 -11.3141 -9.9016 -9.9016 -9.7135 -9.7135 -9.6327 -9.6327 -9.5909 -9.5909 -9.2921 -9.2921 -9.2627 -9.2627 -9.2252 -9.2252 1.0345 1.0345 1.5722 1.5722 1.5954 1.5954 1.6301 1.6301 1.6821 1.6821 2.1892 2.1892 2.2067 2.2067 4.0783 4.0783 4.1690 4.1690 4.1755 4.1755 4.5402 4.5402 4.5598 4.5598 4.5799 4.5799 5.1682 5.1682 5.4268 5.4268 5.4550 5.4550 5.4803 5.4803 5.6255 5.6255 5.7498 5.7498 6.0554 6.0554 6.0784 6.0784 6.2731 6.2731 6.3163 6.3163 6.3843 6.3843 8.6775 8.6775 8.7117 8.7117 8.8776 8.8776 8.9268 8.9268 9.5511 9.5511 9.6635 9.6635 9.7361 9.7361 9.9719 9.9719 10.1373 10.1373 10.2375 10.2375 12.7521 12.7521 16.1080 16.1080 16.1400 16.1400 16.2652 16.2652 16.2955 16.2955 16.3842 16.3842 k = 0.0982 0.0567 0.1604 ( 4799 PWs) bands (ev): -11.3287 -11.3287 -9.8897 -9.8897 -9.7021 -9.7021 -9.6356 -9.6356 -9.5980 -9.5980 -9.2834 -9.2834 -9.2583 -9.2583 -9.2264 -9.2264 1.0117 1.0117 1.5567 1.5567 1.5855 1.5855 1.6060 1.6060 1.6503 1.6503 2.1663 2.1663 2.1820 2.1820 4.0965 4.0965 4.1750 4.1750 4.1805 4.1805 4.5497 4.5497 4.5637 4.5637 4.5807 4.5807 5.2130 5.2130 5.4323 5.4323 5.4561 5.4561 5.5122 5.5122 5.6335 5.6335 5.7926 5.7926 6.0591 6.0591 6.0800 6.0800 6.3001 6.3001 6.3330 6.3330 6.3971 6.3971 8.6754 8.6754 8.7060 8.7060 8.8759 8.8759 8.9196 8.9196 9.5693 9.5693 9.6727 9.6727 9.7358 9.7358 9.9994 9.9994 10.1518 10.1518 10.2427 10.2427 12.6746 12.6746 16.0989 16.0989 16.1255 16.1255 16.2292 16.2292 16.2591 16.2591 16.3388 16.3388 k = 0.0893 0.0515 0.1458 ( 4801 PWs) bands (ev): -11.3422 -11.3422 -9.8790 -9.8790 -9.6914 -9.6914 -9.6377 -9.6377 -9.6046 -9.6046 -9.2755 -9.2755 -9.2542 -9.2542 -9.2276 -9.2276 0.9905 0.9905 1.5425 1.5425 1.5759 1.5759 1.5839 1.5839 1.6209 1.6209 2.1453 2.1453 2.1591 2.1591 4.1135 4.1135 4.1798 4.1798 4.1853 4.1853 4.5576 4.5576 4.5674 4.5674 4.5819 4.5819 5.2546 5.2546 5.4368 5.4368 5.4572 5.4572 5.5410 5.5410 5.6396 5.6396 5.8355 5.8355 6.0626 6.0626 6.0813 6.0813 6.3255 6.3255 6.3505 6.3505 6.4087 6.4087 8.6737 8.6737 8.7004 8.7004 8.8744 8.8744 8.9123 8.9123 9.5871 9.5871 9.6788 9.6788 9.7360 9.7360 10.0284 10.0284 10.1646 10.1646 10.2480 10.2480 12.6013 12.6013 16.0900 16.0900 16.1114 16.1114 16.1967 16.1967 16.2254 16.2254 16.2959 16.2959 k = 0.0804 0.0464 0.1312 ( 4797 PWs) bands (ev): -11.3544 -11.3544 -9.8697 -9.8697 -9.6815 -9.6815 -9.6391 -9.6391 -9.6106 -9.6106 -9.2681 -9.2681 -9.2506 -9.2506 -9.2287 -9.2287 0.9711 0.9711 1.5295 1.5295 1.5627 1.5627 1.5680 1.5680 1.5940 1.5940 2.1262 2.1262 2.1381 2.1381 4.1292 4.1292 4.1838 4.1838 4.1894 4.1894 4.5640 4.5640 4.5710 4.5710 4.5837 4.5837 5.2927 5.2927 5.4408 5.4408 5.4585 5.4585 5.5665 5.5665 5.6447 5.6447 5.8772 5.8772 6.0661 6.0661 6.0824 6.0824 6.3488 6.3488 6.3684 6.3684 6.4194 6.4194 8.6723 8.6723 8.6950 8.6950 8.8731 8.8731 8.9051 8.9051 9.6042 9.6042 9.6824 9.6824 9.7364 9.7364 10.0580 10.0580 10.1758 10.1758 10.2534 10.2534 12.5327 12.5327 16.0814 16.0814 16.0981 16.0981 16.1678 16.1678 16.1946 16.1946 16.2557 16.2557 k = 0.0714 0.0412 0.1166 ( 4793 PWs) bands (ev): -11.3654 -11.3654 -9.8617 -9.8617 -9.6726 -9.6726 -9.6399 -9.6399 -9.6160 -9.6160 -9.2616 -9.2616 -9.2473 -9.2473 -9.2299 -9.2299 0.9534 0.9534 1.5177 1.5177 1.5448 1.5448 1.5594 1.5594 1.5700 1.5700 2.1091 2.1091 2.1189 2.1189 4.1435 4.1435 4.1871 4.1871 4.1929 4.1929 4.5691 4.5691 4.5741 4.5741 4.5857 4.5857 5.3272 5.3272 5.4444 5.4444 5.4599 5.4599 5.5885 5.5885 5.6489 5.6489 5.9167 5.9167 6.0694 6.0694 6.0832 6.0832 6.3700 6.3700 6.3864 6.3864 6.4289 6.4289 8.6711 8.6711 8.6899 8.6899 8.8720 8.8720 8.8983 8.8983 9.6202 9.6202 9.6842 9.6842 9.7371 9.7371 10.0873 10.0873 10.1853 10.1853 10.2591 10.2591 12.4692 12.4692 16.0732 16.0732 16.0856 16.0856 16.1427 16.1427 16.1666 16.1666 16.2186 16.2186 k = 0.0625 0.0361 0.1021 ( 4791 PWs) bands (ev): -11.3751 -11.3751 -9.8550 -9.8550 -9.6645 -9.6645 -9.6401 -9.6401 -9.6208 -9.6208 -9.2557 -9.2557 -9.2444 -9.2444 -9.2309 -9.2309 0.9376 0.9376 1.5072 1.5072 1.5286 1.5286 1.5471 1.5471 1.5535 1.5535 2.0940 2.0940 2.1018 2.1018 4.1564 4.1564 4.1899 4.1899 4.1958 4.1958 4.5732 4.5732 4.5768 4.5768 4.5880 4.5880 5.3578 5.3578 5.4476 5.4476 5.4614 5.4614 5.6073 5.6073 5.6526 5.6526 5.9533 5.9533 6.0725 6.0725 6.0839 6.0839 6.3889 6.3889 6.4037 6.4037 6.4374 6.4374 8.6702 8.6702 8.6851 8.6851 8.8711 8.8711 8.8918 8.8918 9.6348 9.6348 9.6848 9.6848 9.7379 9.7379 10.1153 10.1153 10.1932 10.1932 10.2650 10.2650 12.4113 12.4113 16.0658 16.0658 16.0745 16.0745 16.1212 16.1212 16.1418 16.1418 16.1847 16.1847 k = 0.0536 0.0309 0.0875 ( 4787 PWs) bands (ev): -11.3836 -11.3836 -9.8494 -9.8494 -9.6575 -9.6575 -9.6399 -9.6399 -9.6249 -9.6249 -9.2507 -9.2507 -9.2419 -9.2419 -9.2318 -9.2318 0.9237 0.9237 1.4979 1.4979 1.5146 1.5146 1.5289 1.5289 1.5465 1.5465 2.0809 2.0809 2.0868 2.0868 4.1677 4.1677 4.1923 4.1923 4.1983 4.1983 4.5764 4.5764 4.5790 4.5790 4.5902 4.5902 5.3846 5.3846 5.4504 5.4504 5.4628 5.4628 5.6231 5.6231 5.6556 5.6556 5.9863 5.9863 6.0752 6.0752 6.0844 6.0844 6.4055 6.4055 6.4198 6.4198 6.4449 6.4449 8.6694 8.6694 8.6808 8.6808 8.8703 8.8703 8.8860 8.8860 9.6477 9.6477 9.6847 9.6847 9.7389 9.7389 10.1410 10.1410 10.1996 10.1996 10.2711 10.2711 12.3596 12.3596 16.0592 16.0592 16.0651 16.0651 16.1034 16.1034 16.1200 16.1200 16.1545 16.1545 k = 0.0446 0.0258 0.0729 ( 4789 PWs) bands (ev): -11.3908 -11.3908 -9.8450 -9.8450 -9.6516 -9.6516 -9.6394 -9.6394 -9.6284 -9.6284 -9.2465 -9.2465 -9.2397 -9.2397 -9.2326 -9.2326 0.9119 0.9119 1.4897 1.4897 1.5028 1.5028 1.5132 1.5132 1.5409 1.5409 2.0698 2.0698 2.0740 2.0740 4.1773 4.1773 4.1942 4.1942 4.2003 4.2003 4.5790 4.5790 4.5808 4.5808 4.5922 4.5922 5.4071 5.4071 5.4530 5.4530 5.4642 5.4642 5.6360 5.6360 5.6582 5.6582 6.0151 6.0151 6.0776 6.0776 6.0848 6.0848 6.4198 6.4198 6.4341 6.4341 6.4515 6.4515 8.6688 8.6688 8.6770 8.6770 8.8696 8.8696 8.8807 8.8807 9.6584 9.6584 9.6841 9.6841 9.7400 9.7400 10.1635 10.1635 10.2046 10.2046 10.2773 10.2773 12.3145 12.3145 16.0538 16.0538 16.0576 16.0576 16.0888 16.0888 16.1015 16.1015 16.1276 16.1276 k = 0.0357 0.0206 0.0583 ( 4795 PWs) bands (ev): -11.3967 -11.3967 -9.8415 -9.8415 -9.6469 -9.6469 -9.6386 -9.6386 -9.6312 -9.6312 -9.2434 -9.2434 -9.2378 -9.2378 -9.2331 -9.2331 0.9021 0.9021 1.4826 1.4826 1.4934 1.4934 1.5004 1.5004 1.5364 1.5364 2.0606 2.0606 2.0634 2.0634 4.1852 4.1852 4.1958 4.1958 4.2020 4.2020 4.5810 4.5810 4.5822 4.5822 4.5940 4.5940 5.4252 5.4252 5.4556 5.4556 5.4654 5.4654 5.6463 5.6463 5.6603 5.6603 6.0393 6.0393 6.0796 6.0796 6.0853 6.0853 6.4315 6.4315 6.4463 6.4463 6.4571 6.4571 8.6684 8.6684 8.6738 8.6738 8.8690 8.8690 8.8763 8.8763 9.6671 9.6671 9.6833 9.6833 9.7413 9.7413 10.1823 10.1823 10.2085 10.2085 10.2835 10.2835 12.2767 12.2767 16.0498 16.0498 16.0521 16.0521 16.0774 16.0774 16.0863 16.0863 16.1012 16.1012 k = 0.0268 0.0155 0.0437 ( 4787 PWs) bands (ev): -11.4013 -11.4013 -9.8389 -9.8389 -9.6435 -9.6435 -9.6376 -9.6376 -9.6332 -9.6332 -9.2412 -9.2412 -9.2361 -9.2361 -9.2335 -9.2335 0.8945 0.8945 1.4764 1.4764 1.4865 1.4865 1.4905 1.4905 1.5328 1.5328 2.0535 2.0535 2.0551 2.0551 4.1913 4.1913 4.1969 4.1969 4.2036 4.2036 4.5826 4.5826 4.5832 4.5832 4.5953 4.5953 5.4382 5.4382 5.4588 5.4588 5.4664 5.4664 5.6542 5.6542 5.6619 5.6619 6.0585 6.0585 6.0811 6.0811 6.0857 6.0857 6.4404 6.4404 6.4560 6.4560 6.4618 6.4618 8.6681 8.6681 8.6713 8.6713 8.8686 8.8686 8.8728 8.8728 9.6736 9.6736 9.6826 9.6826 9.7428 9.7428 10.1968 10.1968 10.2114 10.2114 10.2893 10.2893 12.2467 12.2467 16.0473 16.0473 16.0488 16.0488 16.0686 16.0686 16.0745 16.0745 16.0789 16.0789 k = 0.0179 0.0103 0.0292 ( 4783 PWs) bands (ev): -11.4046 -11.4046 -9.8372 -9.8372 -9.6416 -9.6416 -9.6365 -9.6365 -9.6344 -9.6344 -9.2399 -9.2399 -9.2347 -9.2347 -9.2336 -9.2336 0.8890 0.8890 1.4715 1.4715 1.4818 1.4818 1.4837 1.4837 1.5302 1.5302 2.0485 2.0485 2.0492 2.0492 4.1954 4.1954 4.1977 4.1977 4.2049 4.2049 4.5837 4.5837 4.5839 4.5839 4.5963 4.5963 5.4457 5.4457 5.4628 5.4628 5.4672 5.4672 5.6597 5.6597 5.6631 5.6631 6.0719 6.0719 6.0826 6.0826 6.0862 6.0862 6.4467 6.4467 6.4631 6.4631 6.4655 6.4655 8.6680 8.6680 8.6695 8.6695 8.8683 8.8683 8.8702 8.8702 9.6780 9.6780 9.6820 9.6820 9.7440 9.7440 10.2070 10.2070 10.2134 10.2134 10.2941 10.2941 12.2249 12.2249 16.0457 16.0457 16.0480 16.0480 16.0611 16.0611 16.0638 16.0638 16.0667 16.0667 k = 0.0089 0.0052 0.0146 ( 4771 PWs) bands (ev): -11.4066 -11.4066 -9.8361 -9.8361 -9.6409 -9.6409 -9.6356 -9.6356 -9.6350 -9.6350 -9.2393 -9.2393 -9.2338 -9.2338 -9.2335 -9.2335 0.8857 0.8857 1.4684 1.4684 1.4791 1.4791 1.4796 1.4796 1.5287 1.5287 2.0454 2.0454 2.0456 2.0456 4.1976 4.1976 4.1982 4.1982 4.2060 4.2060 4.5843 4.5843 4.5844 4.5844 4.5969 4.5969 5.4490 5.4490 5.4665 5.4665 5.4678 5.4678 5.6629 5.6629 5.6638 5.6638 6.0786 6.0786 6.0850 6.0850 6.0865 6.0865 6.4502 6.4502 6.4674 6.4674 6.4680 6.4680 8.6682 8.6682 8.6685 8.6685 8.8682 8.8682 8.8686 8.8686 9.6806 9.6806 9.6816 9.6816 9.7449 9.7449 10.2130 10.2130 10.2145 10.2145 10.2973 10.2973 12.2116 12.2116 16.0444 16.0444 16.0493 16.0493 16.0537 16.0537 16.0574 16.0574 16.0625 16.0625 k = 0.0000 0.0000 0.0000 ( 4813 PWs) bands (ev): -11.4072 -11.4072 -9.8358 -9.8358 -9.6408 -9.6408 -9.6352 -9.6352 -9.6352 -9.6352 -9.2392 -9.2392 -9.2336 -9.2336 -9.2335 -9.2335 0.8846 0.8846 1.4673 1.4673 1.4783 1.4783 1.4783 1.4783 1.5281 1.5281 2.0444 2.0444 2.0444 2.0444 4.1983 4.1983 4.1983 4.1983 4.2063 4.2063 4.5844 4.5844 4.5845 4.5845 4.5970 4.5970 5.4499 5.4499 5.4679 5.4679 5.4679 5.4679 5.6639 5.6639 5.6639 5.6639 6.0799 6.0799 6.0866 6.0866 6.0866 6.0866 6.4514 6.4514 6.4688 6.4688 6.4688 6.4688 8.6679 8.6679 8.6679 8.6679 8.8680 8.8680 8.8680 8.8680 9.6813 9.6813 9.6813 9.6813 9.7451 9.7451 10.2148 10.2148 10.2148 10.2148 10.2984 10.2984 12.2072 12.2072 16.0434 16.0434 16.0515 16.0515 16.0515 16.0515 16.0538 16.0538 16.0614 16.0614 k = 0.0000 0.0000 0.0000 ( 4813 PWs) bands (ev): -11.4072 -11.4072 -9.8358 -9.8358 -9.6408 -9.6408 -9.6352 -9.6352 -9.6352 -9.6352 -9.2392 -9.2392 -9.2336 -9.2336 -9.2335 -9.2335 0.8846 0.8846 1.4673 1.4673 1.4783 1.4783 1.4783 1.4783 1.5281 1.5281 2.0444 2.0444 2.0444 2.0444 4.1983 4.1983 4.1983 4.1983 4.2063 4.2063 4.5844 4.5844 4.5845 4.5845 4.5970 4.5970 5.4499 5.4499 5.4679 5.4679 5.4679 5.4679 5.6639 5.6639 5.6639 5.6639 6.0799 6.0799 6.0866 6.0866 6.0866 6.0866 6.4514 6.4514 6.4688 6.4688 6.4688 6.4688 8.6679 8.6679 8.6679 8.6679 8.8680 8.8680 8.8680 8.8680 9.6813 9.6813 9.6813 9.6813 9.7451 9.7451 10.2148 10.2148 10.2148 10.2148 10.2984 10.2984 12.2072 12.2072 16.0434 16.0434 16.0515 16.0515 16.0515 16.0515 16.0538 16.0538 16.0614 16.0614 k = 0.0147 0.0085 0.0060 ( 4768 PWs) bands (ev): -11.4066 -11.4066 -9.8361 -9.8361 -9.6409 -9.6409 -9.6356 -9.6356 -9.6350 -9.6350 -9.2393 -9.2393 -9.2338 -9.2338 -9.2336 -9.2336 0.8857 0.8857 1.4684 1.4684 1.4791 1.4791 1.4797 1.4797 1.5287 1.5287 2.0455 2.0455 2.0455 2.0455 4.1977 4.1977 4.1982 4.1982 4.2060 4.2060 4.5843 4.5843 4.5844 4.5844 4.5969 4.5969 5.4490 5.4490 5.4664 5.4664 5.4678 5.4678 5.6633 5.6633 5.6633 5.6633 6.0785 6.0785 6.0849 6.0849 6.0865 6.0865 6.4502 6.4502 6.4673 6.4673 6.4679 6.4679 8.6683 8.6683 8.6684 8.6684 8.8684 8.8684 8.8684 8.8684 9.6806 9.6806 9.6816 9.6816 9.7449 9.7449 10.2129 10.2129 10.2147 10.2147 10.2974 10.2974 12.2117 12.2117 16.0441 16.0441 16.0496 16.0496 16.0536 16.0536 16.0577 16.0577 16.0628 16.0628 k = 0.0294 0.0170 0.0120 ( 4789 PWs) bands (ev): -11.4045 -11.4045 -9.8372 -9.8372 -9.6418 -9.6418 -9.6363 -9.6363 -9.6345 -9.6345 -9.2399 -9.2399 -9.2345 -9.2345 -9.2339 -9.2339 0.8891 0.8891 1.4716 1.4716 1.4816 1.4816 1.4840 1.4840 1.5302 1.5302 2.0489 2.0489 2.0489 2.0489 4.1954 4.1954 4.1976 4.1976 4.2049 4.2049 4.5836 4.5836 4.5839 4.5839 4.5963 4.5963 5.4459 5.4459 5.4620 5.4620 5.4677 5.4677 5.6613 5.6613 5.6614 5.6614 6.0714 6.0714 6.0827 6.0827 6.0863 6.0863 6.4466 6.4466 6.4630 6.4630 6.4655 6.4655 8.6687 8.6687 8.6688 8.6688 8.8693 8.8693 8.8693 8.8693 9.6778 9.6778 9.6821 9.6821 9.7440 9.7440 10.2065 10.2065 10.2136 10.2136 10.2940 10.2940 12.2252 12.2252 16.0425 16.0425 16.0534 16.0534 16.0600 16.0600 16.0628 16.0628 16.0683 16.0683 k = 0.0441 0.0255 0.0180 ( 4801 PWs) bands (ev): -11.4012 -11.4012 -9.8390 -9.8390 -9.6444 -9.6444 -9.6364 -9.6364 -9.6336 -9.6336 -9.2408 -9.2408 -9.2358 -9.2358 -9.2342 -9.2342 0.8946 0.8946 1.4765 1.4765 1.4858 1.4858 1.4916 1.4916 1.5329 1.5329 2.0545 2.0545 2.0545 2.0545 4.1913 4.1913 4.1968 4.1968 4.2034 4.2034 4.5825 4.5825 4.5832 4.5832 4.5953 4.5953 5.4399 5.4399 5.4546 5.4546 5.4686 5.4686 5.6579 5.6579 5.6580 5.6580 6.0572 6.0572 6.0817 6.0817 6.0858 6.0858 6.4403 6.4403 6.4559 6.4559 6.4617 6.4617 8.6695 8.6695 8.6698 8.6698 8.8707 8.8707 8.8707 8.8707 9.6730 9.6730 9.6829 9.6829 9.7428 9.7428 10.1955 10.1955 10.2121 10.2121 10.2893 10.2893 12.2473 12.2473 16.0410 16.0410 16.0590 16.0590 16.0679 16.0679 16.0705 16.0705 16.0817 16.0817 k = 0.0588 0.0340 0.0240 ( 4798 PWs) bands (ev): -11.3965 -11.3965 -9.8417 -9.8417 -9.6487 -9.6487 -9.6355 -9.6355 -9.6324 -9.6324 -9.2423 -9.2423 -9.2375 -9.2375 -9.2347 -9.2347 0.9024 0.9024 1.4830 1.4830 1.4917 1.4917 1.5026 1.5026 1.5365 1.5365 2.0623 2.0623 2.0623 2.0623 4.1853 4.1853 4.1956 4.1956 4.2019 4.2019 4.5809 4.5809 4.5821 4.5821 4.5939 4.5939 5.4306 5.4306 5.4443 5.4443 5.4708 5.4708 5.6529 5.6529 5.6532 5.6532 6.0370 6.0370 6.0810 6.0810 6.0853 6.0853 6.4312 6.4312 6.4461 6.4461 6.4569 6.4569 8.6709 8.6709 8.6713 8.6713 8.8727 8.8727 8.8728 8.8728 9.6659 9.6659 9.6840 9.6840 9.7415 9.7415 10.1797 10.1797 10.2099 10.2099 10.2838 10.2838 12.2778 12.2778 16.0410 16.0410 16.0600 16.0600 16.0811 16.0811 16.0850 16.0850 16.1011 16.1011 k = 0.0735 0.0425 0.0300 ( 4798 PWs) bands (ev): -11.3905 -11.3905 -9.8455 -9.8455 -9.6542 -9.6542 -9.6341 -9.6341 -9.6308 -9.6308 -9.2443 -9.2443 -9.2397 -9.2397 -9.2351 -9.2351 0.9123 0.9123 1.4909 1.4909 1.4992 1.4992 1.5171 1.5171 1.5411 1.5411 2.0723 2.0723 2.0723 2.0723 4.1773 4.1773 4.1941 4.1941 4.2001 4.2001 4.5789 4.5789 4.5806 4.5806 4.5920 4.5920 5.4182 5.4182 5.4313 5.4313 5.4742 5.4742 5.6464 5.6464 5.6468 5.6468 6.0113 6.0113 6.0802 6.0802 6.0847 6.0847 6.4195 6.4195 6.4339 6.4339 6.4512 6.4512 8.6726 8.6726 8.6733 8.6733 8.8752 8.8752 8.8753 8.8753 9.6560 9.6560 9.6855 9.6855 9.7405 9.7405 10.1590 10.1590 10.2072 10.2072 10.2780 10.2780 12.3161 12.3161 16.0402 16.0402 16.0627 16.0627 16.0994 16.0994 16.1035 16.1035 16.1260 16.1260 k = 0.0882 0.0509 0.0360 ( 4798 PWs) bands (ev): -11.3832 -11.3832 -9.8504 -9.8504 -9.6605 -9.6605 -9.6323 -9.6323 -9.6288 -9.6288 -9.2468 -9.2468 -9.2424 -9.2424 -9.2357 -9.2357 0.9243 0.9243 1.5003 1.5003 1.5083 1.5083 1.5349 1.5349 1.5468 1.5468 2.0844 2.0844 2.0844 2.0844 4.1674 4.1674 4.1923 4.1923 4.1981 4.1981 4.5763 4.5763 4.5786 4.5786 4.5897 4.5897 5.4029 5.4029 5.4156 5.4156 5.4786 5.4786 5.6382 5.6382 5.6387 5.6387 5.9805 5.9805 6.0795 6.0795 6.0840 6.0840 6.4054 6.4054 6.4195 6.4195 6.4447 6.4447 8.6747 8.6747 8.6756 8.6756 8.8782 8.8782 8.8784 8.8784 9.6433 9.6433 9.6872 9.6872 9.7400 9.7400 10.1339 10.1339 10.2039 10.2039 10.2722 10.2722 12.3617 12.3617 16.0357 16.0357 16.0714 16.0714 16.1217 16.1217 16.1258 16.1258 16.1563 16.1563 k = 0.1029 0.0594 0.0420 ( 4792 PWs) bands (ev): -11.3746 -11.3746 -9.8568 -9.8568 -9.6673 -9.6673 -9.6301 -9.6301 -9.6265 -9.6265 -9.2498 -9.2498 -9.2455 -9.2455 -9.2364 -9.2364 0.9384 0.9384 1.5112 1.5112 1.5189 1.5189 1.5521 1.5521 1.5572 1.5572 2.0986 2.0986 2.0986 2.0986 4.1558 4.1558 4.1901 4.1901 4.1959 4.1959 4.5733 4.5733 4.5760 4.5760 4.5868 4.5868 5.3850 5.3850 5.3974 5.3974 5.4841 5.4841 5.6282 5.6282 5.6288 5.6288 5.9449 5.9449 6.0788 6.0788 6.0833 6.0833 6.3892 6.3892 6.4034 6.4034 6.4373 6.4373 8.6771 8.6771 8.6783 8.6783 8.8816 8.8816 8.8819 8.8819 9.6278 9.6278 9.6891 9.6891 9.7400 9.7400 10.1049 10.1049 10.2001 10.2001 10.2665 10.2665 12.4139 12.4139 16.0278 16.0278 16.0858 16.0858 16.1479 16.1479 16.1519 16.1519 16.1918 16.1918 k = 0.1176 0.0679 0.0480 ( 4792 PWs) bands (ev): -11.3647 -11.3647 -9.8649 -9.8649 -9.6743 -9.6743 -9.6275 -9.6275 -9.6239 -9.6239 -9.2533 -9.2533 -9.2491 -9.2491 -9.2372 -9.2372 0.9544 0.9544 1.5235 1.5235 1.5311 1.5311 1.5600 1.5600 1.5811 1.5811 2.1148 2.1148 2.1149 2.1149 4.1424 4.1424 4.1877 4.1877 4.1934 4.1934 4.5697 4.5697 4.5729 4.5729 4.5833 4.5833 5.3648 5.3648 5.3769 5.3769 5.4904 5.4904 5.6161 5.6161 5.6169 5.6169 5.9050 5.9050 6.0780 6.0780 6.0826 6.0826 6.3716 6.3716 6.3858 6.3858 6.4289 6.4289 8.6797 8.6797 8.6813 8.6813 8.8854 8.8854 8.8858 8.8858 9.6097 9.6097 9.6913 9.6913 9.7404 9.7404 10.0726 10.0726 10.1957 10.1957 10.2607 10.2607 12.4723 12.4723 16.0175 16.0175 16.1052 16.1052 16.1776 16.1776 16.1815 16.1815 16.2321 16.2321 k = 0.1324 0.0764 0.0540 ( 4792 PWs) bands (ev): -11.3535 -11.3535 -9.8748 -9.8748 -9.6809 -9.6809 -9.6245 -9.6245 -9.6209 -9.6209 -9.2572 -9.2572 -9.2532 -9.2532 -9.2382 -9.2382 0.9722 0.9722 1.5373 1.5373 1.5447 1.5447 1.5680 1.5680 1.6087 1.6087 2.1330 2.1330 2.1331 2.1331 4.1273 4.1273 4.1849 4.1849 4.1906 4.1906 4.5656 4.5656 4.5690 4.5690 4.5791 4.5791 5.3423 5.3423 5.3543 5.3543 5.4977 5.4977 5.6019 5.6019 5.6027 5.6027 5.8614 5.8614 6.0774 6.0774 6.0818 6.0818 6.3528 6.3528 6.3671 6.3671 6.4196 6.4196 8.6826 8.6826 8.6846 8.6846 8.8895 8.8895 8.8901 8.8901 9.5891 9.5891 9.6936 9.6936 9.7413 9.7413 10.0379 10.0379 10.1908 10.1908 10.2548 10.2548 12.5362 12.5362 16.0051 16.0051 16.1288 16.1288 16.2108 16.2108 16.2145 16.2145 16.2772 16.2772 k = 0.1471 0.0849 0.0600 ( 4780 PWs) bands (ev): -11.3411 -11.3411 -9.8869 -9.8869 -9.6871 -9.6871 -9.6212 -9.6212 -9.6176 -9.6176 -9.2617 -9.2617 -9.2577 -9.2577 -9.2394 -9.2394 0.9918 0.9918 1.5524 1.5524 1.5598 1.5598 1.5767 1.5767 1.6395 1.6395 2.1531 2.1531 2.1531 2.1531 4.1106 4.1106 4.1818 4.1818 4.1875 4.1875 4.5609 4.5609 4.5643 4.5643 4.5742 4.5742 5.3180 5.3180 5.3298 5.3298 5.5057 5.5057 5.5854 5.5854 5.5862 5.5862 5.8144 5.8144 6.0767 6.0767 6.0811 6.0811 6.3333 6.3333 6.3479 6.3479 6.4094 6.4094 8.6857 8.6857 8.6882 8.6882 8.8939 8.8939 8.8948 8.8948 9.5662 9.5662 9.6961 9.6961 9.7425 9.7425 10.0012 10.0012 10.1855 10.1855 10.2488 10.2488 12.6050 12.6050 15.9906 15.9906 16.1562 16.1562 16.2472 16.2472 16.2508 16.2508 16.3267 16.3267 k = 0.1618 0.0934 0.0660 ( 4786 PWs) bands (ev): -11.3275 -11.3275 -9.9012 -9.9012 -9.6925 -9.6925 -9.6176 -9.6176 -9.6139 -9.6139 -9.2665 -9.2665 -9.2626 -9.2626 -9.2408 -9.2408 1.0132 1.0132 1.5688 1.5688 1.5761 1.5761 1.5859 1.5859 1.6734 1.6734 2.1749 2.1749 2.1750 2.1750 4.0924 4.0924 4.1784 4.1784 4.1841 4.1841 4.5556 4.5556 4.5588 4.5588 4.5683 4.5683 5.2921 5.2921 5.3037 5.3037 5.5146 5.5146 5.5663 5.5663 5.5672 5.5672 5.7647 5.7647 6.0760 6.0760 6.0803 6.0803 6.3138 6.3138 6.3286 6.3286 6.3983 6.3983 8.6889 8.6889 8.6919 8.6919 8.8984 8.8984 8.8997 8.8997 9.5414 9.5414 9.6985 9.6985 9.7438 9.7438 9.9632 9.9632 10.1797 10.1797 10.2425 10.2425 12.6784 12.6784 15.9740 15.9740 16.1871 16.1871 16.2866 16.2866 16.2901 16.2901 16.3803 16.3803 k = 0.1765 0.1019 0.0720 ( 4786 PWs) bands (ev): -11.3127 -11.3127 -9.9177 -9.9177 -9.6970 -9.6970 -9.6137 -9.6137 -9.6100 -9.6100 -9.2718 -9.2718 -9.2679 -9.2679 -9.2425 -9.2425 1.0360 1.0360 1.5861 1.5861 1.5938 1.5938 1.5959 1.5959 1.7103 1.7103 2.1984 2.1984 2.1985 2.1985 4.0725 4.0725 4.1746 4.1746 4.1804 4.1804 4.5496 4.5496 4.5521 4.5521 4.5615 4.5615 5.2649 5.2649 5.2763 5.2763 5.5242 5.5242 5.5447 5.5447 5.5454 5.5454 5.7129 5.7129 6.0754 6.0754 6.0793 6.0793 6.2945 6.2945 6.3097 6.3097 6.3863 6.3863 8.6923 8.6923 8.6958 8.6958 8.9031 8.9031 8.9049 8.9049 9.5151 9.5151 9.7011 9.7011 9.7452 9.7452 9.9244 9.9244 10.1735 10.1735 10.2360 10.2360 12.7557 12.7557 15.9553 15.9553 16.2211 16.2211 16.3289 16.3289 16.3323 16.3323 16.4378 16.4378 k = 0.1912 0.1104 0.0780 ( 4786 PWs) bands (ev): -11.2967 -11.2967 -9.9365 -9.9365 -9.7006 -9.7006 -9.6094 -9.6094 -9.6057 -9.6057 -9.2774 -9.2774 -9.2736 -9.2736 -9.2444 -9.2444 1.0604 1.0604 1.6025 1.6025 1.6083 1.6083 1.6126 1.6126 1.7501 1.7501 2.2234 2.2234 2.2235 2.2235 4.0511 4.0511 4.1706 4.1706 4.1764 4.1764 4.5430 4.5430 4.5441 4.5441 4.5539 4.5539 5.2366 5.2366 5.2479 5.2479 5.5204 5.5204 5.5209 5.5209 5.5347 5.5347 5.6595 5.6595 6.0746 6.0746 6.0783 6.0783 6.2760 6.2760 6.2915 6.2915 6.3735 6.3735 8.6957 8.6957 8.6998 8.6998 8.9079 8.9079 8.9103 8.9103 9.4875 9.4875 9.7038 9.7038 9.7465 9.7465 9.8852 9.8852 10.1670 10.1670 10.2292 10.2292 12.8366 12.8366 15.9343 15.9343 16.2578 16.2578 16.3737 16.3737 16.3770 16.3770 16.4987 16.4987 k = 0.2059 0.1189 0.0841 ( 4783 PWs) bands (ev): -11.2796 -11.2796 -9.9573 -9.9573 -9.7033 -9.7033 -9.6048 -9.6048 -9.6010 -9.6010 -9.2834 -9.2834 -9.2796 -9.2796 -9.2466 -9.2466 1.0861 1.0861 1.6143 1.6143 1.6267 1.6267 1.6325 1.6325 1.7928 1.7928 2.2498 2.2498 2.2500 2.2500 4.0282 4.0282 4.1663 4.1663 4.1721 4.1721 4.5342 4.5342 4.5356 4.5356 4.5456 4.5456 5.2078 5.2078 5.2189 5.2189 5.4934 5.4934 5.4935 5.4935 5.5457 5.5457 5.6053 5.6053 6.0736 6.0736 6.0770 6.0770 6.2587 6.2587 6.2745 6.2745 6.3599 6.3599 8.6991 8.6991 8.7038 8.7038 8.9128 8.9128 8.9159 8.9159 9.4592 9.4592 9.7064 9.7064 9.7473 9.7473 9.8464 9.8464 10.1602 10.1602 10.2223 10.2223 12.9207 12.9207 15.9110 15.9110 16.2968 16.2968 16.4208 16.4208 16.4240 16.4240 16.5628 16.5628 k = 0.2206 0.1274 0.0901 ( 4789 PWs) bands (ev): -11.2615 -11.2615 -9.9800 -9.9800 -9.7051 -9.7051 -9.5999 -9.5999 -9.5961 -9.5961 -9.2898 -9.2898 -9.2860 -9.2860 -9.2490 -9.2490 1.1129 1.1129 1.6249 1.6249 1.6473 1.6473 1.6533 1.6533 1.8381 1.8381 2.2775 2.2775 2.2777 2.2777 4.0037 4.0037 4.1617 4.1617 4.1676 4.1676 4.5223 4.5223 4.5274 4.5274 4.5367 4.5367 5.1787 5.1787 5.1896 5.1896 5.4634 5.4634 5.4637 5.4637 5.5497 5.5497 5.5586 5.5586 6.0724 6.0724 6.0753 6.0753 6.2429 6.2429 6.2590 6.2590 6.3456 6.3456 8.7024 8.7024 8.7079 8.7079 8.9177 8.9177 8.9215 8.9215 9.4303 9.4303 9.7090 9.7090 9.7461 9.7461 9.8094 9.8094 10.1531 10.1531 10.2153 10.2153 13.0075 13.0075 15.8852 15.8852 16.3377 16.3377 16.4700 16.4700 16.4730 16.4730 16.6296 16.6296 k = 0.2353 0.1358 0.0961 ( 4789 PWs) bands (ev): -11.2423 -11.2423 -10.0044 -10.0044 -9.7062 -9.7062 -9.5947 -9.5947 -9.5909 -9.5909 -9.2965 -9.2965 -9.2927 -9.2927 -9.2516 -9.2516 1.1409 1.1409 1.6351 1.6351 1.6690 1.6690 1.6749 1.6749 1.8860 1.8860 2.3063 2.3063 2.3065 2.3065 3.9776 3.9776 4.1569 4.1569 4.1629 4.1629 4.5081 4.5081 4.5184 4.5184 4.5273 4.5273 5.1496 5.1496 5.1604 5.1604 5.4306 5.4306 5.4315 5.4315 5.4965 5.4965 5.5703 5.5703 6.0710 6.0710 6.0734 6.0734 6.2289 6.2289 6.2453 6.2453 6.3306 6.3306 8.7057 8.7057 8.7119 8.7119 8.9226 8.9226 8.9274 8.9274 9.4014 9.4014 9.7116 9.7116 9.7373 9.7373 9.7803 9.7803 10.1458 10.1458 10.2080 10.2080 13.0967 13.0967 15.8567 15.8567 16.3802 16.3802 16.5209 16.5209 16.5238 16.5238 16.6987 16.6987 k = 0.2500 0.1443 0.1021 ( 4786 PWs) bands (ev): -11.2221 -11.2221 -10.0303 -10.0303 -9.7066 -9.7066 -9.5892 -9.5892 -9.5854 -9.5854 -9.3035 -9.3035 -9.2997 -9.2997 -9.2544 -9.2544 1.1697 1.1697 1.6452 1.6452 1.6915 1.6915 1.6973 1.6973 1.9364 1.9364 2.3359 2.3359 2.3362 2.3362 3.9499 3.9499 4.1519 4.1519 4.1579 4.1579 4.4914 4.4914 4.5085 4.5085 4.5171 4.5171 5.1210 5.1210 5.1315 5.1315 5.3953 5.3953 5.3969 5.3969 5.4437 5.4437 5.5834 5.5834 6.0692 6.0692 6.0711 6.0711 6.2168 6.2168 6.2334 6.2334 6.3150 6.3150 8.7089 8.7089 8.7159 8.7159 8.9274 8.9274 8.9332 8.9332 9.3728 9.3728 9.7114 9.7114 9.7142 9.7142 9.7686 9.7686 10.1384 10.1384 10.2008 10.2008 13.1880 13.1880 15.8255 15.8255 16.4238 16.4238 16.5732 16.5732 16.5760 16.5760 16.7698 16.7698 k = 0.2647 0.1528 0.1081 ( 4780 PWs) bands (ev): -11.2009 -11.2009 -10.0575 -10.0575 -9.7065 -9.7065 -9.5834 -9.5834 -9.5796 -9.5796 -9.3108 -9.3108 -9.3070 -9.3070 -9.2574 -9.2574 1.1993 1.1993 1.6548 1.6548 1.7145 1.7145 1.7202 1.7202 1.9891 1.9891 2.3662 2.3662 2.3666 2.3666 3.9206 3.9206 4.1467 4.1467 4.1528 4.1528 4.4723 4.4723 4.4978 4.4978 4.5062 4.5062 5.0931 5.0931 5.1034 5.1034 5.3578 5.3578 5.3603 5.3603 5.3926 5.3926 5.5971 5.5971 6.0671 6.0671 6.0684 6.0684 6.2066 6.2066 6.2235 6.2235 6.2988 6.2988 8.7120 8.7120 8.7199 8.7199 8.9320 8.9320 8.9390 8.9390 9.3449 9.3449 9.6763 9.6763 9.7166 9.7166 9.7667 9.7667 10.1310 10.1310 10.1935 10.1935 13.2811 13.2811 15.7914 15.7914 16.4684 16.4684 16.6266 16.6266 16.6293 16.6293 16.8424 16.8424 k = 0.2794 0.1613 0.1141 ( 4780 PWs) bands (ev): -11.1790 -11.1790 -10.0858 -10.0858 -9.7059 -9.7059 -9.5773 -9.5773 -9.5735 -9.5735 -9.3183 -9.3183 -9.3146 -9.3146 -9.2605 -9.2605 1.2295 1.2295 1.6640 1.6640 1.7379 1.7379 1.7435 1.7435 2.0440 2.0440 2.3970 2.3970 2.3975 2.3975 3.8895 3.8895 4.1413 4.1413 4.1476 4.1476 4.4508 4.4508 4.4863 4.4863 4.4945 4.4945 5.0663 5.0663 5.0763 5.0763 5.3186 5.3186 5.3221 5.3221 5.3440 5.3440 5.6113 5.6113 6.0646 6.0646 6.0654 6.0654 6.1984 6.1984 6.2154 6.2154 6.2821 6.2821 8.7149 8.7149 8.7237 8.7237 8.9365 8.9365 8.9449 8.9449 9.3181 9.3181 9.6393 9.6393 9.7189 9.7189 9.7672 9.7672 10.1235 10.1235 10.1862 10.1862 13.3757 13.3757 15.7543 15.7543 16.5134 16.5134 16.6807 16.6807 16.6834 16.6834 16.9159 16.9159 k = 0.2941 0.1698 0.1201 ( 4774 PWs) bands (ev): -11.1562 -11.1562 -10.1149 -10.1149 -9.7050 -9.7050 -9.5710 -9.5710 -9.5672 -9.5672 -9.3261 -9.3261 -9.3224 -9.3224 -9.2637 -9.2637 1.2602 1.2602 1.6725 1.6725 1.7615 1.7615 1.7669 1.7669 2.1010 2.1010 2.4280 2.4280 2.4285 2.4285 3.8566 3.8566 4.1360 4.1360 4.1423 4.1423 4.4270 4.4270 4.4739 4.4739 4.4820 4.4820 5.0409 5.0409 5.0506 5.0506 5.2780 5.2780 5.2826 5.2826 5.2982 5.2982 5.6260 5.6260 6.0618 6.0618 6.0622 6.0622 6.1920 6.1920 6.2091 6.2091 6.2649 6.2649 8.7175 8.7175 8.7273 8.7273 8.9408 8.9408 8.9506 8.9506 9.2927 9.2927 9.6025 9.6025 9.7211 9.7211 9.7685 9.7685 10.1160 10.1160 10.1790 10.1790 13.4714 13.4714 15.7141 15.7141 16.5587 16.5587 16.7351 16.7351 16.7378 16.7378 16.9900 16.9900 k = 0.3088 0.1783 0.1261 ( 4768 PWs) bands (ev): -11.1328 -11.1328 -10.1447 -10.1447 -9.7038 -9.7038 -9.5645 -9.5645 -9.5606 -9.5606 -9.3341 -9.3341 -9.3304 -9.3304 -9.2669 -9.2669 1.2911 1.2911 1.6802 1.6802 1.7851 1.7851 1.7904 1.7904 2.1597 2.1597 2.4589 2.4589 2.4595 2.4595 3.8217 3.8217 4.1306 4.1306 4.1370 4.1370 4.4011 4.4011 4.4607 4.4607 4.4688 4.4688 5.0170 5.0170 5.0264 5.0264 5.2369 5.2369 5.2424 5.2424 5.2554 5.2554 5.6411 5.6411 6.0588 6.0588 6.0589 6.0589 6.1871 6.1871 6.2043 6.2043 6.2475 6.2475 8.7200 8.7200 8.7308 8.7308 8.9449 8.9449 8.9562 8.9562 9.2689 9.2689 9.5662 9.5662 9.7232 9.7232 9.7701 9.7701 10.1087 10.1087 10.1719 10.1719 13.5680 13.5680 15.6707 15.6707 16.6041 16.6041 16.7895 16.7895 16.7921 16.7921 17.0639 17.0639 k = 0.3235 0.1868 0.1321 ( 4774 PWs) bands (ev): -11.1088 -11.1088 -10.1750 -10.1750 -9.7024 -9.7024 -9.5577 -9.5577 -9.5538 -9.5538 -9.3422 -9.3422 -9.3385 -9.3385 -9.2702 -9.2702 1.3220 1.3220 1.6870 1.6870 1.8085 1.8085 1.8136 1.8136 2.2201 2.2201 2.4895 2.4895 2.4902 2.4902 3.7848 3.7848 4.1254 4.1254 4.1319 4.1319 4.3735 4.3735 4.4469 4.4469 4.4549 4.4549 4.9948 4.9948 5.0040 5.0040 5.1959 5.1959 5.2020 5.2020 5.2159 5.2159 5.6566 5.6566 6.0554 6.0554 6.0560 6.0560 6.1835 6.1835 6.2008 6.2008 6.2298 6.2298 8.7222 8.7222 8.7340 8.7340 8.9487 8.9487 8.9616 8.9616 9.2470 9.2470 9.5310 9.5310 9.7251 9.7251 9.7717 9.7717 10.1015 10.1015 10.1649 10.1649 13.6653 13.6653 15.6240 15.6240 16.6491 16.6491 16.8433 16.8433 16.8459 16.8459 17.1222 17.1222 k = 0.3382 0.1953 0.1381 ( 4777 PWs) bands (ev): -11.0844 -11.0844 -10.2054 -10.2054 -9.7009 -9.7009 -9.5507 -9.5507 -9.5468 -9.5468 -9.3505 -9.3505 -9.3468 -9.3468 -9.2734 -9.2734 1.3528 1.3528 1.6926 1.6926 1.8315 1.8315 1.8364 1.8364 2.2819 2.2819 2.5193 2.5193 2.5202 2.5202 3.7457 3.7457 4.1204 4.1204 4.1270 4.1270 4.3447 4.3447 4.4324 4.4324 4.4405 4.4405 4.9746 4.9746 4.9835 4.9835 5.1552 5.1552 5.1618 5.1618 5.1801 5.1801 5.6723 5.6723 6.0521 6.0521 6.0530 6.0530 6.1810 6.1810 6.1983 6.1983 6.2120 6.2120 8.7241 8.7241 8.7371 8.7371 8.9522 8.9522 8.9668 8.9668 9.2271 9.2271 9.4971 9.4971 9.7269 9.7269 9.7734 9.7734 10.0945 10.0945 10.1582 10.1582 13.7629 13.7629 15.5739 15.5739 16.6936 16.6936 16.8962 16.8962 16.8987 16.8987 17.1550 17.1550 k = 0.3529 0.2038 0.1441 ( 4765 PWs) bands (ev): -11.0598 -11.0598 -10.2358 -10.2358 -9.6993 -9.6993 -9.5435 -9.5435 -9.5397 -9.5397 -9.3589 -9.3589 -9.3553 -9.3553 -9.2766 -9.2766 1.3833 1.3833 1.6969 1.6969 1.8537 1.8537 1.8585 1.8585 2.3449 2.3449 2.5482 2.5482 2.5491 2.5491 3.7043 3.7043 4.1158 4.1158 4.1225 4.1225 4.3154 4.3154 4.4175 4.4175 4.4257 4.4257 4.9563 4.9563 4.9649 4.9649 5.1155 5.1155 5.1226 5.1226 5.1481 5.1481 5.6881 5.6881 6.0489 6.0489 6.0502 6.0502 6.1793 6.1793 6.1943 6.1943 6.1967 6.1967 8.7259 8.7259 8.7400 8.7400 8.9555 8.9555 8.9718 8.9718 9.2095 9.2095 9.4646 9.4646 9.7286 9.7286 9.7751 9.7751 10.0879 10.0879 10.1519 10.1519 13.8606 13.8606 15.5205 15.5205 16.7374 16.7374 16.9475 16.9475 16.9501 16.9501 17.1825 17.1825 k = 0.3676 0.2123 0.1501 ( 4762 PWs) bands (ev): -11.0350 -11.0350 -10.2660 -10.2660 -9.6976 -9.6976 -9.5362 -9.5362 -9.5323 -9.5323 -9.3674 -9.3674 -9.3637 -9.3637 -9.2796 -9.2796 1.4132 1.4132 1.6999 1.6999 1.8750 1.8750 1.8796 1.8796 2.4087 2.4087 2.5757 2.5757 2.5768 2.5768 3.6607 3.6607 4.1118 4.1118 4.1186 4.1186 4.2862 4.2862 4.4024 4.4024 4.4107 4.4107 4.9399 4.9399 4.9483 4.9483 5.0771 5.0771 5.0849 5.0849 5.1201 5.1201 5.7039 5.7039 6.0460 6.0460 6.0476 6.0476 6.1747 6.1747 6.1803 6.1803 6.1957 6.1957 8.7274 8.7274 8.7426 8.7426 8.9584 8.9584 8.9764 8.9764 9.1940 9.1940 9.4340 9.4340 9.7302 9.7302 9.7766 9.7766 10.0817 10.0817 10.1459 10.1459 13.9581 13.9581 15.4638 15.4638 16.7801 16.7801 16.9968 16.9968 16.9993 16.9993 17.2046 17.2046 k = 0.3824 0.2208 0.1561 ( 4780 PWs) bands (ev): -11.0105 -11.0105 -10.2955 -10.2955 -9.6960 -9.6960 -9.5288 -9.5288 -9.5249 -9.5249 -9.3759 -9.3759 -9.3723 -9.3723 -9.2824 -9.2824 1.4423 1.4423 1.7013 1.7013 1.8951 1.8951 1.8995 1.8995 2.4730 2.4730 2.6015 2.6015 2.6027 2.6027 3.6148 3.6148 4.1085 4.1085 4.1153 4.1153 4.2579 4.2579 4.3872 4.3872 4.3957 4.3957 4.9255 4.9255 4.9337 4.9337 5.0407 5.0407 5.0492 5.0492 5.0957 5.0957 5.7196 5.7196 6.0433 6.0433 6.0452 6.0452 6.1584 6.1584 6.1787 6.1787 6.1952 6.1952 8.7286 8.7286 8.7450 8.7450 8.9610 8.9610 8.9807 8.9807 9.1807 9.1807 9.4053 9.4053 9.7315 9.7315 9.7780 9.7780 10.0758 10.0758 10.1403 10.1403 14.0552 14.0552 15.4038 15.4038 16.8215 16.8215 17.0433 17.0433 17.0459 17.0459 17.2214 17.2214 k = 0.3971 0.2292 0.1621 ( 4789 PWs) bands (ev): -10.9865 -10.9865 -10.3240 -10.3240 -9.6945 -9.6945 -9.5212 -9.5212 -9.5173 -9.5173 -9.3844 -9.3844 -9.3808 -9.3808 -9.2851 -9.2851 1.4704 1.4704 1.7010 1.7010 1.9136 1.9136 1.9179 1.9179 2.5373 2.5373 2.6253 2.6253 2.6266 2.6266 3.5669 3.5669 4.1060 4.1060 4.1129 4.1129 4.2312 4.2312 4.3721 4.3721 4.3809 4.3809 4.9130 4.9130 4.9210 4.9210 5.0069 5.0069 5.0161 5.0161 5.0748 5.0748 5.7349 5.7349 6.0410 6.0410 6.0431 6.0431 6.1417 6.1417 6.1784 6.1784 6.1950 6.1950 8.7295 8.7295 8.7470 8.7470 8.9635 8.9635 8.9845 8.9845 9.1696 9.1696 9.3789 9.3789 9.7327 9.7327 9.7793 9.7793 10.0705 10.0705 10.1352 10.1352 14.1516 14.1516 15.3405 15.3405 16.8613 16.8613 17.0866 17.0866 17.0892 17.0892 17.2329 17.2329 k = 0.4118 0.2377 0.1681 ( 4777 PWs) bands (ev): -10.9634 -10.9634 -10.3511 -10.3511 -9.6931 -9.6931 -9.5137 -9.5137 -9.5098 -9.5098 -9.3928 -9.3928 -9.3892 -9.3892 -9.2874 -9.2874 1.4972 1.4972 1.6991 1.6991 1.9304 1.9304 1.9345 1.9345 2.6009 2.6009 2.6467 2.6467 2.6482 2.6482 3.5176 3.5176 4.1044 4.1044 4.1114 4.1114 4.2070 4.2070 4.3576 4.3576 4.3666 4.3666 4.9023 4.9023 4.9103 4.9103 4.9764 4.9764 4.9862 4.9862 5.0573 5.0573 5.7496 5.7496 6.0390 6.0390 6.0413 6.0413 6.1257 6.1257 6.1785 6.1785 6.1950 6.1950 8.7304 8.7304 8.7489 8.7489 8.9657 8.9657 8.9880 8.9880 9.1606 9.1606 9.3550 9.3550 9.7338 9.7338 9.7805 9.7805 10.0658 10.0658 10.1307 10.1307 14.2469 14.2469 15.2742 15.2742 16.8991 16.8991 17.1259 17.1259 17.1285 17.1285 17.2395 17.2395 k = 0.4265 0.2462 0.1741 ( 4784 PWs) bands (ev): -10.9418 -10.9418 -10.3762 -10.3762 -9.6918 -9.6918 -9.5063 -9.5063 -9.5023 -9.5023 -9.4009 -9.4009 -9.3973 -9.3973 -9.2895 -9.2895 1.5225 1.5225 1.6954 1.6954 1.9452 1.9452 1.9491 1.9491 2.6625 2.6625 2.6659 2.6659 2.6670 2.6670 3.4675 3.4675 4.1036 4.1036 4.1106 4.1106 4.1856 4.1856 4.3439 4.3439 4.3532 4.3532 4.8933 4.8933 4.9015 4.9015 4.9497 4.9497 4.9599 4.9599 5.0428 5.0428 5.7633 5.7633 6.0372 6.0372 6.0397 6.0397 6.1108 6.1108 6.1787 6.1787 6.1952 6.1952 8.7311 8.7311 8.7504 8.7504 8.9677 8.9677 8.9909 8.9909 9.1532 9.1532 9.3340 9.3340 9.7347 9.7347 9.7815 9.7815 10.0617 10.0617 10.1268 10.1268 14.3409 14.3409 15.2050 15.2050 16.9344 16.9344 17.1605 17.1605 17.1633 17.1633 17.2417 17.2417 k = 0.4412 0.2547 0.1801 ( 4781 PWs) bands (ev): -10.9224 -10.9224 -10.3985 -10.3985 -9.6907 -9.6907 -9.4991 -9.4991 -9.4951 -9.4951 -9.4087 -9.4087 -9.4052 -9.4052 -9.2913 -9.2913 1.5460 1.5460 1.6900 1.6900 1.9576 1.9576 1.9615 1.9615 2.6810 2.6810 2.6828 2.6828 2.7223 2.7223 3.4181 3.4181 4.1036 4.1036 4.1106 4.1106 4.1675 4.1675 4.3316 4.3316 4.3412 4.3412 4.8859 4.8859 4.8945 4.8945 4.9274 4.9274 4.9377 4.9377 5.0312 5.0312 5.7756 5.7756 6.0358 6.0358 6.0385 6.0385 6.0975 6.0975 6.1790 6.1790 6.1955 6.1955 8.7316 8.7316 8.7517 8.7517 8.9694 8.9694 8.9933 8.9933 9.1479 9.1479 9.3161 9.3161 9.7354 9.7354 9.7823 9.7823 10.0583 10.0583 10.1235 10.1235 14.4330 14.4330 15.1333 15.1333 16.9663 16.9663 17.1898 17.1898 17.1928 17.1928 17.2403 17.2403 k = 0.4559 0.2632 0.1861 ( 4799 PWs) bands (ev): -10.9058 -10.9058 -10.4173 -10.4173 -9.6898 -9.6898 -9.4925 -9.4925 -9.4884 -9.4884 -9.4158 -9.4158 -9.4123 -9.4123 -9.2927 -9.2927 1.5670 1.5670 1.6833 1.6833 1.9675 1.9675 1.9713 1.9713 2.6935 2.6935 2.6954 2.6954 2.7764 2.7764 3.3715 3.3715 4.1041 4.1041 4.1111 4.1111 4.1533 4.1533 4.3210 4.3210 4.3309 4.3309 4.8799 4.8799 4.8892 4.8892 4.9098 4.9098 4.9198 4.9198 5.0224 5.0224 5.7861 5.7861 6.0348 6.0348 6.0375 6.0375 6.0862 6.0862 6.1793 6.1793 6.1957 6.1957 8.7319 8.7319 8.7527 8.7527 8.9707 8.9707 8.9952 8.9952 9.1439 9.1439 9.3016 9.3016 9.7360 9.7360 9.7830 9.7830 10.0556 10.0556 10.1209 10.1209 14.5225 14.5225 15.0598 15.0598 16.9940 16.9940 17.2128 17.2128 17.2165 17.2165 17.2368 17.2368 k = 0.4706 0.2717 0.1921 ( 4793 PWs) bands (ev): -10.8930 -10.8930 -10.4317 -10.4317 -9.6892 -9.6892 -9.4868 -9.4868 -9.4827 -9.4827 -9.4218 -9.4218 -9.4184 -9.4184 -9.2937 -9.2937 1.5849 1.5849 1.6758 1.6758 1.9748 1.9748 1.9785 1.9785 2.7026 2.7026 2.7046 2.7046 2.8219 2.8219 3.3313 3.3313 4.1049 4.1049 4.1117 4.1117 4.1430 4.1430 4.3130 4.3130 4.3230 4.3230 4.8753 4.8753 4.8858 4.8858 4.8975 4.8975 4.9066 4.9066 5.0161 5.0161 5.7941 5.7941 6.0340 6.0340 6.0368 6.0368 6.0776 6.0776 6.1795 6.1795 6.1959 6.1959 8.7321 8.7321 8.7534 8.7534 8.9718 8.9718 8.9966 8.9966 9.1413 9.1413 9.2911 9.2911 9.7364 9.7364 9.7835 9.7835 10.0536 10.0536 10.1191 10.1191 14.6076 14.6076 14.9862 14.9862 17.0161 17.0161 17.2257 17.2257 17.2338 17.2338 17.2359 17.2359 k = 0.4853 0.2802 0.1981 ( 4796 PWs) bands (ev): -10.8849 -10.8849 -10.4408 -10.4408 -9.6888 -9.6888 -9.4828 -9.4828 -9.4786 -9.4786 -9.4260 -9.4260 -9.4227 -9.4227 -9.2943 -9.2943 1.5978 1.5978 1.6691 1.6691 1.9792 1.9792 1.9829 1.9829 2.7081 2.7081 2.7101 2.7101 2.8535 2.8535 3.3029 3.3029 4.1055 4.1055 4.1122 4.1122 4.1368 4.1368 4.3078 4.3078 4.3180 4.3180 4.8722 4.8722 4.8841 4.8841 4.8904 4.8904 4.8983 4.8983 5.0124 5.0124 5.7992 5.7992 6.0335 6.0335 6.0364 6.0364 6.0721 6.0721 6.1797 6.1797 6.1960 6.1960 8.7322 8.7322 8.7538 8.7538 8.9725 8.9725 8.9975 8.9975 9.1398 9.1398 9.2846 9.2846 9.7367 9.7367 9.7838 9.7838 10.0524 10.0524 10.1179 10.1179 14.6824 14.6824 14.9183 14.9183 17.0306 17.0306 17.2244 17.2244 17.2433 17.2433 17.2444 17.2444 k = 0.5000 0.2887 0.2041 ( 4802 PWs) bands (ev): -10.8821 -10.8821 -10.4439 -10.4439 -9.6886 -9.6886 -9.4814 -9.4814 -9.4771 -9.4771 -9.4275 -9.4275 -9.4242 -9.4242 -9.2945 -9.2945 1.6028 1.6028 1.6662 1.6662 1.9807 1.9807 1.9843 1.9843 2.7100 2.7100 2.7120 2.7120 2.8650 2.8650 3.2924 3.2924 4.1057 4.1057 4.1124 4.1124 4.1348 4.1348 4.3061 4.3061 4.3163 4.3163 4.8710 4.8710 4.8837 4.8837 4.8881 4.8881 4.8954 4.8954 5.0112 5.0112 5.8010 5.8010 6.0334 6.0334 6.0363 6.0363 6.0703 6.0703 6.1797 6.1797 6.1961 6.1961 8.7322 8.7322 8.7539 8.7539 8.9727 8.9727 8.9978 8.9978 9.1393 9.1393 9.2824 9.2824 9.7368 9.7368 9.7839 9.7839 10.0520 10.0520 10.1175 10.1175 14.7204 14.7204 14.8826 14.8826 17.0357 17.0357 17.2229 17.2229 17.2465 17.2465 17.2479 17.2479 k = 0.5000 0.2887 0.2041 ( 4802 PWs) bands (ev): -10.8821 -10.8821 -10.4439 -10.4439 -9.6886 -9.6886 -9.4814 -9.4814 -9.4771 -9.4771 -9.4275 -9.4275 -9.4242 -9.4242 -9.2945 -9.2945 1.6028 1.6028 1.6662 1.6662 1.9807 1.9807 1.9843 1.9843 2.7100 2.7100 2.7120 2.7120 2.8650 2.8650 3.2924 3.2924 4.1057 4.1057 4.1124 4.1124 4.1348 4.1348 4.3061 4.3061 4.3163 4.3163 4.8710 4.8710 4.8837 4.8837 4.8881 4.8881 4.8954 4.8954 5.0112 5.0112 5.8010 5.8010 6.0334 6.0334 6.0363 6.0363 6.0703 6.0703 6.1797 6.1797 6.1961 6.1961 8.7322 8.7322 8.7539 8.7539 8.9727 8.9727 8.9978 8.9978 9.1393 9.1393 9.2824 9.2824 9.7368 9.7368 9.7839 9.7839 10.0520 10.0520 10.1175 10.1175 14.7204 14.7204 14.8826 14.8826 17.0357 17.0357 17.2229 17.2229 17.2465 17.2465 17.2479 17.2479 k = 0.5052 0.2736 0.2126 ( 4796 PWs) bands (ev): -10.8816 -10.8816 -10.4436 -10.4436 -9.6904 -9.6904 -9.4824 -9.4824 -9.4783 -9.4783 -9.4262 -9.4262 -9.4231 -9.4231 -9.2943 -9.2943 1.6035 1.6035 1.6668 1.6668 1.9818 1.9818 1.9854 1.9854 2.7112 2.7112 2.7132 2.7132 2.8656 2.8656 3.2914 3.2914 4.1047 4.1047 4.1113 4.1113 4.1329 4.1329 4.3062 4.3062 4.3164 4.3164 4.8499 4.8499 4.8556 4.8556 4.9157 4.9157 4.9164 4.9164 5.0125 5.0125 5.7999 5.7999 6.0328 6.0328 6.0357 6.0357 6.0701 6.0701 6.1787 6.1787 6.1951 6.1951 8.7323 8.7323 8.7541 8.7541 8.9722 8.9722 8.9968 8.9968 9.1406 9.1406 9.2832 9.2832 9.7362 9.7362 9.7832 9.7832 10.0513 10.0513 10.1167 10.1167 14.7231 14.7231 14.8852 14.8852 17.0326 17.0326 17.2241 17.2241 17.2475 17.2475 17.2510 17.2510 k = 0.5104 0.2586 0.2211 ( 4789 PWs) bands (ev): -10.8798 -10.8798 -10.4425 -10.4425 -9.6956 -9.6956 -9.4860 -9.4860 -9.4806 -9.4806 -9.4232 -9.4232 -9.4193 -9.4193 -9.2934 -9.2934 1.6053 1.6053 1.6688 1.6688 1.9849 1.9849 1.9890 1.9890 2.7145 2.7145 2.7173 2.7173 2.8674 2.8674 3.2884 3.2884 4.1008 4.1008 4.1086 4.1086 4.1279 4.1279 4.3055 4.3055 4.3173 4.3173 4.8204 4.8204 4.8259 4.8259 4.9421 4.9421 4.9465 4.9465 5.0176 5.0176 5.7966 5.7966 6.0309 6.0309 6.0340 6.0340 6.0696 6.0696 6.1754 6.1754 6.1926 6.1926 8.7326 8.7326 8.7546 8.7546 8.9703 8.9703 8.9943 8.9943 9.1444 9.1444 9.2856 9.2856 9.7343 9.7343 9.7811 9.7811 10.0491 10.0491 10.1144 10.1144 14.7310 14.7310 14.8930 14.8930 17.0239 17.0239 17.2265 17.2265 17.2489 17.2489 17.2630 17.2630 k = 0.5156 0.2436 0.2296 ( 4797 PWs) bands (ev): -10.8770 -10.8770 -10.4409 -10.4409 -9.7040 -9.7040 -9.4920 -9.4920 -9.4835 -9.4835 -9.4191 -9.4191 -9.4133 -9.4133 -9.2922 -9.2922 1.6084 1.6084 1.6719 1.6719 1.9897 1.9897 1.9953 1.9953 2.7197 2.7197 2.7244 2.7244 2.8703 2.8703 3.2835 3.2835 4.0925 4.0925 4.1051 4.1051 4.1209 4.1209 4.3026 4.3026 4.3197 4.3197 4.7910 4.7910 4.7970 4.7970 4.9615 4.9615 4.9769 4.9769 5.0298 5.0298 5.7910 5.7910 6.0276 6.0276 6.0314 6.0314 6.0686 6.0686 6.1688 6.1688 6.1897 6.1897 8.7324 8.7324 8.7558 8.7558 8.9663 8.9663 8.9915 8.9915 9.1502 9.1502 9.2895 9.2895 9.7311 9.7311 9.7778 9.7778 10.0451 10.0451 10.1106 10.1106 14.7442 14.7442 14.9059 14.9059 17.0100 17.0100 17.2291 17.2291 17.2511 17.2511 17.2838 17.2838 k = 0.5208 0.2285 0.2381 ( 4788 PWs) bands (ev): -10.8729 -10.8729 -10.4385 -10.4385 -9.7154 -9.7154 -9.4994 -9.4994 -9.4871 -9.4871 -9.4140 -9.4140 -9.4059 -9.4059 -9.2905 -9.2905 1.6127 1.6127 1.6764 1.6764 1.9960 1.9960 2.0044 2.0044 2.7268 2.7268 2.7345 2.7345 2.8743 2.8743 3.2765 3.2765 4.0792 4.0792 4.1009 4.1009 4.1130 4.1130 4.2973 4.2973 4.3230 4.3230 4.7629 4.7629 4.7693 4.7693 4.9712 4.9712 5.0073 5.0073 5.0514 5.0514 5.7833 5.7833 6.0231 6.0231 6.0280 6.0280 6.0667 6.0667 6.1584 6.1584 6.1872 6.1872 8.7317 8.7317 8.7580 8.7580 8.9595 8.9595 8.9897 8.9897 9.1576 9.1576 9.2948 9.2948 9.7265 9.7265 9.7737 9.7737 10.0392 10.0392 10.1060 10.1060 14.7625 14.7625 14.9239 14.9239 16.9914 16.9914 17.2326 17.2326 17.2545 17.2545 17.3122 17.3122 k = 0.5260 0.2135 0.2467 ( 4787 PWs) bands (ev): -10.8678 -10.8678 -10.4356 -10.4356 -9.7292 -9.7292 -9.5073 -9.5073 -9.4917 -9.4917 -9.4079 -9.4079 -9.3980 -9.3980 -9.2887 -9.2887 1.6182 1.6182 1.6820 1.6820 2.0039 2.0039 2.0162 2.0162 2.7357 2.7357 2.7475 2.7475 2.8796 2.8796 3.2678 3.2678 4.0615 4.0615 4.0959 4.0959 4.1046 4.1046 4.2897 4.2897 4.3262 4.3262 4.7364 4.7364 4.7432 4.7432 4.9740 4.9740 5.0374 5.0374 5.0792 5.0792 5.7735 5.7735 6.0175 6.0175 6.0239 6.0239 6.0639 6.0639 6.1444 6.1444 6.1853 6.1853 8.7301 8.7301 8.7614 8.7614 8.9503 8.9503 8.9891 8.9891 9.1659 9.1659 9.3014 9.3014 9.7203 9.7203 9.7690 9.7690 10.0308 10.0308 10.1008 10.1008 14.7857 14.7857 14.9467 14.9467 16.9684 16.9684 17.2382 17.2382 17.2592 17.2592 17.3466 17.3466 k = 0.5312 0.1985 0.2552 ( 4788 PWs) bands (ev): -10.8615 -10.8615 -10.4321 -10.4321 -9.7451 -9.7451 -9.5157 -9.5157 -9.4970 -9.4970 -9.4010 -9.4010 -9.3896 -9.3896 -9.2869 -9.2869 1.6247 1.6247 1.6887 1.6887 2.0133 2.0133 2.0306 2.0306 2.7465 2.7465 2.7633 2.7633 2.8860 2.8860 3.2572 3.2572 4.0402 4.0402 4.0894 4.0894 4.0957 4.0957 4.2795 4.2795 4.3284 4.3284 4.7118 4.7118 4.7192 4.7192 4.9732 4.9732 5.0672 5.0672 5.1094 5.1094 5.7616 5.7616 6.0108 6.0108 6.0190 6.0190 6.0600 6.0600 6.1273 6.1273 6.1841 6.1841 8.7277 8.7277 8.7661 8.7661 8.9392 8.9392 8.9893 8.9893 9.1749 9.1749 9.3091 9.3091 9.7125 9.7125 9.7640 9.7640 10.0197 10.0197 10.0956 10.0956 14.8137 14.8137 14.9744 14.9744 16.9410 16.9410 17.2464 17.2464 17.2653 17.2653 17.3864 17.3864 k = 0.5365 0.1834 0.2637 ( 4785 PWs) bands (ev): -10.8541 -10.8541 -10.4281 -10.4281 -9.7629 -9.7629 -9.5242 -9.5242 -9.5031 -9.5031 -9.3936 -9.3936 -9.3812 -9.3812 -9.2852 -9.2852 1.6323 1.6323 1.6964 1.6964 2.0243 2.0243 2.0476 2.0476 2.7592 2.7592 2.7818 2.7818 2.8936 2.8936 3.2448 3.2448 4.0160 4.0160 4.0805 4.0805 4.0873 4.0873 4.2666 4.2666 4.3292 4.3292 4.6892 4.6892 4.6980 4.6980 4.9703 4.9703 5.0965 5.0965 5.1402 5.1402 5.7478 5.7478 6.0030 6.0030 6.0132 6.0132 6.0551 6.0551 6.1076 6.1076 6.1835 6.1835 8.7246 8.7246 8.7719 8.7719 8.9272 8.9272 8.9901 8.9901 9.1843 9.1843 9.3178 9.3178 9.7033 9.7033 9.7589 9.7589 10.0059 10.0059 10.0905 10.0905 14.8462 14.8462 15.0065 15.0065 16.9091 16.9091 17.2576 17.2576 17.2731 17.2731 17.4307 17.4307 k = 0.5417 0.1684 0.2722 ( 4781 PWs) bands (ev): -10.8456 -10.8456 -10.4237 -10.4237 -9.7820 -9.7820 -9.5328 -9.5328 -9.5097 -9.5097 -9.3859 -9.3859 -9.3726 -9.3726 -9.2836 -9.2836 1.6409 1.6409 1.7050 1.7050 2.0367 2.0367 2.0669 2.0669 2.7736 2.7736 2.8029 2.8029 2.9024 2.9024 3.2309 3.2309 3.9893 3.9893 4.0691 4.0691 4.0792 4.0792 4.2509 4.2509 4.3283 4.3283 4.6688 4.6688 4.6798 4.6798 4.9661 4.9661 5.1252 5.1252 5.1708 5.1708 5.7323 5.7323 5.9938 5.9938 6.0064 6.0064 6.0496 6.0496 6.0859 6.0859 6.1836 6.1836 8.7210 8.7210 8.7786 8.7786 8.9146 8.9146 8.9913 8.9913 9.1938 9.1938 9.3272 9.3272 9.6930 9.6930 9.7539 9.7539 9.9895 9.9895 10.0857 10.0857 14.8829 14.8829 15.0430 15.0430 16.8727 16.8727 17.2718 17.2718 17.2827 17.2827 17.4789 17.4789 k = 0.5469 0.1534 0.2807 ( 4781 PWs) bands (ev): -10.8361 -10.8361 -10.4189 -10.4189 -9.8024 -9.8024 -9.5414 -9.5414 -9.5167 -9.5167 -9.3780 -9.3780 -9.3641 -9.3641 -9.2824 -9.2824 1.6503 1.6503 1.7143 1.7143 2.0506 2.0506 2.0886 2.0886 2.7899 2.7899 2.8264 2.8264 2.9123 2.9123 3.2155 3.2155 3.9604 3.9604 4.0559 4.0559 4.0709 4.0709 4.2320 4.2320 4.3254 4.3254 4.6506 4.6506 4.6650 4.6650 4.9608 4.9608 5.1532 5.1532 5.2005 5.2005 5.7152 5.7152 5.9833 5.9833 5.9980 5.9980 6.0434 6.0434 6.0635 6.0635 6.1843 6.1843 8.7170 8.7170 8.7860 8.7860 8.9019 8.9019 8.9927 8.9927 9.2032 9.2032 9.3372 9.3372 9.6819 9.6819 9.7488 9.7488 9.9706 9.9706 10.0811 10.0811 14.9235 14.9235 15.0836 15.0836 16.8320 16.8320 17.2876 17.2876 17.2952 17.2952 17.5304 17.5304 k = 0.5521 0.1383 0.2892 ( 4783 PWs) bands (ev): -10.8255 -10.8255 -10.4140 -10.4140 -9.8235 -9.8235 -9.5499 -9.5499 -9.5239 -9.5239 -9.3703 -9.3703 -9.3556 -9.3556 -9.2815 -9.2815 1.6606 1.6606 1.7244 1.7244 2.0657 2.0657 2.1124 2.1124 2.8078 2.8078 2.8521 2.8521 2.9235 2.9235 3.1988 3.1988 3.9297 3.9297 4.0411 4.0411 4.0621 4.0621 4.2101 4.2101 4.3206 4.3206 4.6348 4.6348 4.6532 4.6532 4.9546 4.9546 5.1804 5.1804 5.2289 5.2289 5.6969 5.6969 5.9713 5.9713 5.9865 5.9865 6.0356 6.0356 6.0437 6.0437 6.1856 6.1856 8.7128 8.7128 8.7937 8.7937 8.8896 8.8896 8.9943 8.9943 9.2124 9.2124 9.3475 9.3475 9.6706 9.6706 9.7437 9.7437 9.9497 9.9497 10.0765 10.0765 14.9676 14.9676 15.1279 15.1279 16.7871 16.7871 17.3020 17.3020 17.3132 17.3132 17.5844 17.5844 k = 0.5573 0.1233 0.2977 ( 4778 PWs) bands (ev): -10.8138 -10.8138 -10.4090 -10.4090 -9.8452 -9.8452 -9.5584 -9.5584 -9.5313 -9.5313 -9.3627 -9.3627 -9.3472 -9.3472 -9.2809 -9.2809 1.6715 1.6715 1.7349 1.7349 2.0820 2.0820 2.1382 2.1382 2.8274 2.8274 2.8798 2.8798 2.9359 2.9359 3.1811 3.1811 3.8975 3.8975 4.0250 4.0250 4.0527 4.0527 4.1850 4.1850 4.3141 4.3141 4.6215 4.6215 4.6442 4.6442 4.9475 4.9475 5.2066 5.2066 5.2559 5.2559 5.6775 5.6775 5.9578 5.9578 5.9696 5.9696 6.0218 6.0218 6.0342 6.0342 6.1874 6.1874 8.7084 8.7084 8.8013 8.8013 8.8783 8.8783 8.9960 8.9960 9.2211 9.2211 9.3580 9.3580 9.6595 9.6595 9.7385 9.7385 9.9272 9.9272 10.0721 10.0721 15.0150 15.0150 15.1759 15.1759 16.7382 16.7382 17.3157 17.3157 17.3356 17.3356 17.6402 17.6402 k = 0.5625 0.1083 0.3062 ( 4772 PWs) bands (ev): -10.8012 -10.8012 -10.4042 -10.4042 -9.8671 -9.8671 -9.5667 -9.5667 -9.5388 -9.5388 -9.3556 -9.3556 -9.3389 -9.3389 -9.2807 -9.2807 1.6831 1.6831 1.7457 1.7457 2.0993 2.0993 2.1658 2.1658 2.8484 2.8484 2.9090 2.9090 2.9496 2.9496 3.1626 3.1626 3.8641 3.8641 4.0075 4.0075 4.0427 4.0427 4.1571 4.1571 4.3063 4.3063 4.6107 4.6107 4.6376 4.6376 4.9396 4.9396 5.2317 5.2317 5.2811 5.2811 5.6574 5.6574 5.9426 5.9426 5.9466 5.9466 6.0100 6.0100 6.0285 6.0285 6.1895 6.1895 8.7040 8.7040 8.8077 8.8077 8.8689 8.8689 8.9978 8.9978 9.2291 9.2291 9.3683 9.3683 9.6492 9.6492 9.7331 9.7331 9.9035 9.9035 10.0676 10.0676 15.0653 15.0653 15.2271 15.2271 16.6854 16.6854 17.3300 17.3300 17.3603 17.3603 17.6966 17.6966 k = 0.5677 0.0932 0.3147 ( 4782 PWs) bands (ev): -10.7877 -10.7877 -10.3997 -10.3997 -9.8889 -9.8889 -9.5748 -9.5748 -9.5463 -9.5463 -9.3491 -9.3491 -9.3308 -9.3308 -9.2807 -9.2807 1.6951 1.6951 1.7567 1.7567 2.1175 2.1175 2.1950 2.1950 2.8709 2.8709 2.9389 2.9389 2.9649 2.9649 3.1438 3.1438 3.8299 3.8299 3.9887 3.9887 4.0321 4.0321 4.1265 4.1265 4.2976 4.2976 4.6020 4.6020 4.6327 4.6327 4.9310 4.9310 5.2556 5.2556 5.3043 5.3043 5.6368 5.6368 5.9171 5.9171 5.9283 5.9283 6.0022 6.0022 6.0237 6.0237 6.1918 6.1918 8.6996 8.6996 8.8113 8.8113 8.8633 8.8633 8.9995 8.9995 9.2363 9.2363 9.3782 9.3782 9.6401 9.6401 9.7275 9.7275 9.8790 9.8790 10.0629 10.0629 15.1179 15.1179 15.2812 15.2812 16.6290 16.6290 17.3450 17.3450 17.3865 17.3865 17.7523 17.7523 k = 0.5729 0.0782 0.3232 ( 4784 PWs) bands (ev): -10.7732 -10.7732 -10.3959 -10.3959 -9.9102 -9.9102 -9.5828 -9.5828 -9.5537 -9.5537 -9.3435 -9.3435 -9.3228 -9.3228 -9.2808 -9.2808 1.7074 1.7074 1.7676 1.7676 2.1364 2.1364 2.2254 2.2254 2.8947 2.8947 2.9672 2.9672 2.9830 2.9830 3.1256 3.1256 3.7955 3.7955 3.9687 3.9687 4.0209 4.0209 4.0938 4.0938 4.2885 4.2885 4.5954 4.5954 4.6292 4.6292 4.9217 4.9217 5.2779 5.2779 5.3253 5.3253 5.6162 5.6162 5.8862 5.8862 5.9122 5.9122 5.9971 5.9971 6.0194 6.0194 6.1943 6.1943 8.6954 8.6954 8.8102 8.8102 8.8632 8.8632 9.0014 9.0014 9.2425 9.2425 9.3873 9.3873 9.6328 9.6328 9.7217 9.7217 9.8543 9.8543 10.0582 10.0582 15.1726 15.1726 15.3380 15.3380 16.5690 16.5690 17.3604 17.3604 17.4137 17.4137 17.8058 17.8058 k = 0.5781 0.0631 0.3317 ( 4787 PWs) bands (ev): -10.7579 -10.7579 -10.3930 -10.3930 -9.9304 -9.9304 -9.5906 -9.5906 -9.5609 -9.5609 -9.3391 -9.3391 -9.3150 -9.3150 -9.2806 -9.2806 1.7200 1.7200 1.7782 1.7782 2.1559 2.1559 2.2568 2.2568 2.9197 2.9197 2.9899 2.9899 3.0058 3.0058 3.1098 3.1098 3.7615 3.7615 3.9474 3.9474 4.0088 4.0088 4.0597 4.0597 4.2794 4.2794 4.5905 4.5905 4.6265 4.6265 4.9118 4.9118 5.2985 5.2985 5.3438 5.3438 5.5957 5.5957 5.8541 5.8541 5.8964 5.8964 5.9938 5.9938 6.0155 6.0155 6.1968 6.1968 8.6913 8.6913 8.8048 8.8048 8.8683 8.8683 9.0032 9.0032 9.2476 9.2476 9.3955 9.3955 9.6278 9.6278 9.7155 9.7155 9.8298 9.8298 10.0532 10.0532 15.2289 15.2289 15.3972 15.3972 16.5057 16.5057 17.3761 17.3761 17.4412 17.4412 17.8554 17.8554 k = 0.5833 0.0481 0.3402 ( 4787 PWs) bands (ev): -10.7418 -10.7418 -10.3915 -10.3915 -9.9493 -9.9493 -9.5982 -9.5982 -9.5680 -9.5680 -9.3363 -9.3363 -9.3074 -9.3074 -9.2798 -9.2798 1.7326 1.7326 1.7883 1.7883 2.1756 2.1756 2.2887 2.2887 2.9457 2.9457 3.0083 3.0083 3.0265 3.0265 3.1016 3.1016 3.7288 3.7288 3.9249 3.9249 3.9941 3.9941 4.0263 4.0263 4.2707 4.2707 4.5872 4.5872 4.6242 4.6242 4.9014 4.9014 5.3171 5.3171 5.3597 5.3597 5.5757 5.5757 5.8218 5.8218 5.8812 5.8812 5.9923 5.9923 6.0119 6.0119 6.1992 6.1992 8.6875 8.6875 8.7972 8.7972 8.8765 8.8765 9.0051 9.0051 9.2515 9.2515 9.4022 9.4022 9.6252 9.6252 9.7089 9.7089 9.8064 9.8064 10.0481 10.0481 15.2862 15.2862 15.4582 15.4582 16.4393 16.4393 17.3917 17.3917 17.4685 17.4685 17.9004 17.9004 k = 0.5885 0.0331 0.3487 ( 4796 PWs) bands (ev): -10.7251 -10.7251 -10.3916 -10.3916 -9.9661 -9.9661 -9.6055 -9.6055 -9.5748 -9.5748 -9.3354 -9.3354 -9.3000 -9.3000 -9.2781 -9.2781 1.7452 1.7452 1.7977 1.7977 2.1954 2.1954 2.3205 2.3205 2.9725 2.9725 3.0226 3.0226 3.0355 3.0355 3.1096 3.1096 3.6988 3.6988 3.9012 3.9012 3.9706 3.9706 4.0006 4.0006 4.2627 4.2627 4.5851 4.5851 4.6217 4.6217 4.8905 4.8905 5.3335 5.3335 5.3728 5.3728 5.5563 5.5563 5.7898 5.7898 5.8671 5.8671 5.9923 5.9923 6.0087 6.0087 6.2015 6.2015 8.6840 8.6840 8.7887 8.7887 8.8863 8.8863 9.0069 9.0069 9.2541 9.2541 9.4073 9.4073 9.6251 9.6251 9.7018 9.7018 9.7845 9.7845 10.0428 10.0428 15.3443 15.3443 15.5209 15.5209 16.3700 16.3700 17.4070 17.4070 17.4948 17.4948 17.9408 17.9408 k = 0.5938 0.0180 0.3572 ( 4800 PWs) bands (ev): -10.7078 -10.7078 -10.3939 -10.3939 -9.9806 -9.9806 -9.6126 -9.6126 -9.5813 -9.5813 -9.3366 -9.3366 -9.2929 -9.2929 -9.2755 -9.2755 1.7576 1.7576 1.8062 1.8062 2.2149 2.2149 2.3515 2.3515 2.9999 2.9999 3.0194 3.0194 3.0479 3.0479 3.1311 3.1311 3.6730 3.6730 3.8763 3.8763 3.9361 3.9361 3.9851 3.9851 4.2558 4.2558 4.5842 4.5842 4.6188 4.6188 4.8794 4.8794 5.3473 5.3473 5.3829 5.3829 5.5379 5.5379 5.7591 5.7591 5.8548 5.8548 5.9937 5.9937 6.0057 6.0057 6.2037 6.2037 8.6808 8.6808 8.7804 8.7804 8.8969 8.8969 9.0089 9.0089 9.2556 9.2556 9.4104 9.4104 9.6274 9.6274 9.6941 9.6941 9.7651 9.7651 10.0375 10.0375 15.4026 15.4026 15.5846 15.5846 16.2982 16.2982 17.4216 17.4216 17.5196 17.5196 17.9780 17.9780 k = 0.5990 0.0030 0.3657 ( 4785 PWs) bands (ev): -10.6901 -10.6901 -10.3984 -10.3984 -9.9920 -9.9920 -9.6194 -9.6194 -9.5875 -9.5875 -9.3397 -9.3397 -9.2859 -9.2859 -9.2719 -9.2719 1.7696 1.7696 1.8135 1.8135 2.2339 2.2339 2.3809 2.3809 3.0078 3.0078 3.0277 3.0277 3.0635 3.0635 3.1558 3.1558 3.6536 3.6536 3.8504 3.8504 3.8980 3.8980 3.9734 3.9734 4.2503 4.2503 4.5842 4.5842 4.6152 4.6152 4.8680 4.8680 5.3585 5.3585 5.3899 5.3899 5.5205 5.5205 5.7301 5.7301 5.8448 5.8448 5.9963 5.9963 6.0032 6.0032 6.2056 6.2056 8.6781 8.6781 8.7726 8.7726 8.9077 8.9077 9.0109 9.0109 9.2560 9.2560 9.4115 9.4115 9.6314 9.6314 9.6864 9.6864 9.7488 9.7488 10.0320 10.0320 15.4607 15.4607 15.6488 15.6488 16.2244 16.2244 17.4353 17.4353 17.5424 17.5424 18.0129 18.0129 k = 0.6042-0.0120 0.3742 ( 4788 PWs) bands (ev): -10.6722 -10.6722 -10.4053 -10.4053 -10.0003 -10.0003 -9.6260 -9.6260 -9.5933 -9.5933 -9.3444 -9.3444 -9.2792 -9.2792 -9.2677 -9.2677 1.7811 1.7811 1.8195 1.8195 2.2521 2.2521 2.4077 2.4077 2.9964 2.9964 3.0551 3.0551 3.0768 3.0768 3.1792 3.1792 3.6430 3.6430 3.8234 3.8234 3.8592 3.8592 3.9632 3.9632 4.2463 4.2463 4.5849 4.5849 4.6106 4.6106 4.8567 4.8567 5.3669 5.3669 5.3935 5.3935 5.5040 5.5040 5.7036 5.7036 5.8375 5.8375 5.9980 5.9980 6.0031 6.0031 6.2072 6.2072 8.6758 8.6758 8.7654 8.7654 8.9183 8.9183 9.0129 9.0129 9.2556 9.2556 9.4103 9.4103 9.6357 9.6357 9.6800 9.6800 9.7359 9.7359 10.0265 10.0265 15.5180 15.5180 15.7125 15.7125 16.1496 16.1496 17.4478 17.4478 17.5628 17.5628 18.0462 18.0462 k = 0.6094-0.0271 0.3827 ( 4780 PWs) bands (ev): -10.6546 -10.6546 -10.4145 -10.4145 -10.0051 -10.0051 -9.6323 -9.6323 -9.5988 -9.5988 -9.3506 -9.3506 -9.2727 -9.2727 -9.2630 -9.2630 1.7921 1.7921 1.8238 1.8238 2.2691 2.2691 2.4308 2.4308 2.9877 2.9877 3.0819 3.0819 3.0847 3.0847 3.2005 3.2005 3.6432 3.6432 3.7956 3.7956 3.8210 3.8210 3.9542 3.9542 4.2443 4.2443 4.5862 4.5862 4.6049 4.6049 4.8454 4.8454 5.3728 5.3728 5.3938 5.3938 5.4884 5.4884 5.6802 5.6802 5.8332 5.8332 5.9963 5.9963 6.0077 6.0077 6.2084 6.2084 8.6738 8.6738 8.7590 8.7590 8.9286 8.9286 9.0151 9.0151 9.2546 9.2546 9.4066 9.4066 9.6379 9.6379 9.6773 9.6773 9.7264 9.7264 10.0210 10.0210 15.5739 15.5739 15.7732 15.7732 16.0761 16.0761 17.4587 17.4587 17.5802 17.5802 18.0772 18.0772 k = 0.6146-0.0421 0.3912 ( 4780 PWs) bands (ev): -10.6380 -10.6380 -10.4252 -10.4252 -10.0065 -10.0065 -9.6383 -9.6383 -9.6038 -9.6038 -9.3579 -9.3579 -9.2665 -9.2665 -9.2582 -9.2582 1.8021 1.8021 1.8264 1.8264 2.2847 2.2847 2.4489 2.4489 2.9830 2.9830 3.0843 3.0843 3.1072 3.1072 3.2212 3.2212 3.6553 3.6553 3.7673 3.7673 3.7846 3.7846 3.9463 3.9463 4.2443 4.2443 4.5879 4.5879 4.5981 4.5981 4.8344 4.8344 5.3766 5.3766 5.3907 5.3907 5.4736 5.4736 5.6604 5.6604 5.8320 5.8320 5.9941 5.9941 6.0142 6.0142 6.2093 6.2093 8.6722 8.6722 8.7533 8.7533 8.9383 8.9383 9.0175 9.0175 9.2533 9.2533 9.4006 9.4006 9.6366 9.6366 9.6799 9.6799 9.7205 9.7205 10.0156 10.0156 15.6273 15.6273 15.8233 15.8233 16.0123 16.0123 17.4678 17.4678 17.5944 17.5944 18.1041 18.1041 k = 0.6198-0.0571 0.3997 ( 4778 PWs) bands (ev): -10.6232 -10.6232 -10.4362 -10.4362 -10.0046 -10.0046 -9.6439 -9.6439 -9.6084 -9.6084 -9.3662 -9.3662 -9.2606 -9.2606 -9.2533 -9.2533 1.8110 1.8110 1.8273 1.8273 2.2984 2.2984 2.4610 2.4610 2.9825 2.9825 3.0746 3.0746 3.1299 3.1299 3.2430 3.2430 3.6778 3.6778 3.7396 3.7396 3.7513 3.7513 3.9398 3.9398 4.2466 4.2466 4.5896 4.5896 4.5905 4.5905 4.8236 4.8236 5.3789 5.3789 5.3846 5.3846 5.4592 5.4592 5.6445 5.6445 5.8338 5.8338 5.9920 5.9920 6.0216 6.0216 6.2098 6.2098 8.6709 8.6709 8.7486 8.7486 8.9472 8.9472 9.0203 9.0203 9.2521 9.2521 9.3923 9.3923 9.6333 9.6333 9.6847 9.6847 9.7191 9.7191 10.0102 10.0102 15.6754 15.6754 15.8347 15.8347 15.9886 15.9886 17.4747 17.4747 17.6051 17.6051 18.1226 18.1226 k = 0.6250-0.0722 0.4082 ( 4782 PWs) bands (ev): -10.6121 -10.6121 -10.4456 -10.4456 -9.9998 -9.9998 -9.6493 -9.6493 -9.6124 -9.6124 -9.3753 -9.3753 -9.2549 -9.2549 -9.2484 -9.2484 1.8176 1.8176 1.8275 1.8275 2.3100 2.3100 2.4666 2.4666 2.9841 2.9841 3.0587 3.0587 3.1487 3.1487 3.2664 3.2664 3.6972 3.6972 3.7217 3.7217 3.7261 3.7261 3.9347 3.9347 4.2513 4.2513 4.5811 4.5811 4.5922 4.5922 4.8130 4.8130 5.3756 5.3756 5.3806 5.3806 5.4451 5.4451 5.6325 5.6325 5.8383 5.8383 5.9901 5.9901 6.0297 6.0297 6.2098 6.2098 8.6698 8.6698 8.7449 8.7449 8.9549 8.9549 9.0235 9.0235 9.2512 9.2512 9.3822 9.3822 9.6303 9.6303 9.6875 9.6875 9.7238 9.7238 10.0050 10.0050 15.7027 15.7027 15.8047 15.8047 16.0227 16.0227 17.4793 17.4793 17.6122 17.6122 18.1283 18.1283 k = 0.6250-0.0722 0.4082 ( 4782 PWs) bands (ev): -10.6121 -10.6121 -10.4456 -10.4456 -9.9998 -9.9998 -9.6493 -9.6493 -9.6124 -9.6124 -9.3753 -9.3753 -9.2549 -9.2549 -9.2484 -9.2484 1.8176 1.8176 1.8275 1.8275 2.3100 2.3100 2.4666 2.4666 2.9841 2.9841 3.0587 3.0587 3.1487 3.1487 3.2664 3.2664 3.6972 3.6972 3.7217 3.7217 3.7261 3.7261 3.9347 3.9347 4.2513 4.2513 4.5811 4.5811 4.5922 4.5922 4.8130 4.8130 5.3756 5.3756 5.3806 5.3806 5.4451 5.4451 5.6325 5.6325 5.8383 5.8383 5.9901 5.9901 6.0297 6.0297 6.2098 6.2098 8.6698 8.6698 8.7449 8.7449 8.9549 8.9549 9.0235 9.0235 9.2512 9.2512 9.3822 9.3822 9.6303 9.6303 9.6875 9.6875 9.7238 9.7238 10.0050 10.0050 15.7027 15.7027 15.8047 15.8047 16.0227 16.0227 17.4793 17.4793 17.6122 17.6122 18.1283 18.1283 k = 0.6161-0.0670 0.4228 ( 4774 PWs) bands (ev): -10.6115 -10.6115 -10.4458 -10.4458 -9.9994 -9.9994 -9.6620 -9.6620 -9.6000 -9.6000 -9.3752 -9.3752 -9.2552 -9.2552 -9.2488 -9.2488 1.8178 1.8178 1.8278 1.8278 2.3109 2.3109 2.4666 2.4666 2.9846 2.9846 3.0590 3.0590 3.1502 3.1502 3.2669 3.2669 3.6914 3.6914 3.7229 3.7229 3.7262 3.7262 3.9332 3.9332 4.2535 4.2535 4.5745 4.5745 4.5985 4.5985 4.8116 4.8116 5.3702 5.3702 5.3886 5.3886 5.4455 5.4455 5.6310 5.6310 5.8397 5.8397 5.9896 5.9896 6.0296 6.0296 6.2083 6.2083 8.6696 8.6696 8.7450 8.7450 8.9551 8.9551 9.0234 9.0234 9.2517 9.2517 9.3820 9.3820 9.6298 9.6298 9.6859 9.6859 9.7266 9.7266 10.0039 10.0039 15.7046 15.7046 15.8065 15.8065 16.0243 16.0243 17.4360 17.4360 17.6519 17.6519 18.1289 18.1289 k = 0.6071-0.0619 0.4374 ( 4780 PWs) bands (ev): -10.6100 -10.6100 -10.4462 -10.4462 -9.9982 -9.9982 -9.6844 -9.6844 -9.5785 -9.5785 -9.3747 -9.3747 -9.2563 -9.2563 -9.2499 -9.2499 1.8184 1.8184 1.8287 1.8287 2.3136 2.3136 2.4667 2.4667 2.9863 2.9863 3.0599 3.0599 3.1547 3.1547 3.2681 3.2681 3.6781 3.6781 3.7233 3.7233 3.7259 3.7259 3.9290 3.9290 4.2598 4.2598 4.5641 4.5641 4.6081 4.6081 4.8076 4.8076 5.3657 5.3657 5.4007 5.4007 5.4467 5.4467 5.6266 5.6266 5.8439 5.8439 5.9881 5.9881 6.0294 6.0294 6.2038 6.2038 8.6688 8.6688 8.7452 8.7452 8.9555 8.9555 9.0228 9.0228 9.2530 9.2530 9.3810 9.3810 9.6283 9.6283 9.6822 9.6822 9.7333 9.7333 10.0004 10.0004 15.7104 15.7104 15.8119 15.8119 16.0289 16.0289 17.3564 17.3564 17.7207 17.7207 18.1309 18.1309 k = 0.5982-0.0567 0.4520 ( 4788 PWs) bands (ev): -10.6073 -10.6073 -10.4471 -10.4471 -9.9962 -9.9962 -9.7085 -9.7085 -9.5557 -9.5557 -9.3739 -9.3739 -9.2581 -9.2581 -9.2518 -9.2518 1.8194 1.8194 1.8300 1.8300 2.3181 2.3181 2.4667 2.4667 2.9889 2.9889 3.0614 3.0614 3.1622 3.1622 3.2703 3.2703 3.6606 3.6606 3.7202 3.7202 3.7243 3.7243 3.9230 3.9230 4.2695 4.2695 4.5529 4.5529 4.6177 4.6177 4.8011 4.8011 5.3639 5.3639 5.4146 5.4146 5.4487 5.4487 5.6197 5.6197 5.8504 5.8504 5.9857 5.9857 6.0290 6.0290 6.1964 6.1964 8.6676 8.6676 8.7456 8.7456 8.9563 8.9563 9.0218 9.0218 9.2551 9.2551 9.3794 9.3794 9.6259 9.6259 9.6782 9.6782 9.7423 9.7423 9.9946 9.9946 15.7199 15.7199 15.8208 15.8208 16.0366 16.0366 17.2681 17.2681 17.7907 17.7907 18.1340 18.1340 k = 0.5893-0.0515 0.4666 ( 4779 PWs) bands (ev): -10.6036 -10.6036 -10.4483 -10.4483 -9.9935 -9.9935 -9.7329 -9.7329 -9.5330 -9.5330 -9.3728 -9.3728 -9.2605 -9.2605 -9.2545 -9.2545 1.8207 1.8207 1.8318 1.8318 2.3243 2.3243 2.4667 2.4667 2.9926 2.9926 3.0634 3.0634 3.1726 3.1726 3.2735 3.2735 3.6405 3.6405 3.7106 3.7106 3.7232 3.7232 3.9162 3.9162 4.2818 4.2818 4.5415 4.5415 4.6271 4.6271 4.7928 4.7928 5.3649 5.3649 5.4294 5.4294 5.4516 5.4516 5.6108 5.6108 5.8589 5.8589 5.9826 5.9826 6.0286 6.0286 6.1862 6.1862 8.6660 8.6660 8.7461 8.7461 8.9575 8.9575 9.0206 9.0206 9.2581 9.2581 9.3771 9.3771 9.6229 9.6229 9.6749 9.6749 9.7524 9.7524 9.9869 9.9869 15.7329 15.7329 15.8331 15.8331 16.0473 16.0473 17.1759 17.1759 17.8570 17.8570 18.1383 18.1383 k = 0.5804-0.0464 0.4811 ( 4781 PWs) bands (ev): -10.5989 -10.5989 -10.4500 -10.4500 -9.9899 -9.9899 -9.7572 -9.7572 -9.5108 -9.5108 -9.3715 -9.3715 -9.2636 -9.2636 -9.2578 -9.2578 1.8224 1.8224 1.8340 1.8340 2.3320 2.3320 2.4665 2.4665 2.9972 2.9972 3.0659 3.0659 3.1858 3.1858 3.2777 3.2777 3.6183 3.6183 3.6946 3.6946 3.7225 3.7225 3.9090 3.9090 4.2958 4.2958 4.5297 4.5297 4.6362 4.6362 4.7830 4.7830 5.3686 5.3686 5.4436 5.4436 5.4562 5.4562 5.6005 5.6005 5.8687 5.8687 5.9791 5.9791 6.0280 6.0280 6.1734 6.1734 8.6641 8.6641 8.7466 8.7466 8.9590 8.9590 9.0190 9.0190 9.2618 9.2618 9.3741 9.3741 9.6197 9.6197 9.6724 9.6724 9.7629 9.7629 9.9773 9.9773 15.7494 15.7494 15.8486 15.8486 16.0608 16.0608 17.0815 17.0815 17.9179 17.9179 18.1435 18.1435 k = 0.5714-0.0412 0.4957 ( 4783 PWs) bands (ev): -10.5932 -10.5932 -10.4523 -10.4523 -9.9856 -9.9856 -9.7810 -9.7810 -9.4892 -9.4892 -9.3699 -9.3699 -9.2673 -9.2673 -9.2618 -9.2618 1.8244 1.8244 1.8365 1.8365 2.3412 2.3412 2.4660 2.4660 3.0027 3.0027 3.0689 3.0689 3.2017 3.2017 3.2830 3.2830 3.5946 3.5946 3.6730 3.6730 3.7223 3.7223 3.9015 3.9015 4.3108 4.3108 4.5178 4.5178 4.6449 4.6449 4.7723 4.7723 5.3747 5.3747 5.4535 5.4535 5.4653 5.4653 5.5891 5.5891 5.8795 5.8795 5.9756 5.9756 6.0273 6.0273 6.1582 6.1582 8.6621 8.6621 8.7471 8.7471 8.9608 8.9608 9.0171 9.0171 9.2663 9.2663 9.3703 9.3703 9.6166 9.6166 9.6706 9.6706 9.7735 9.7735 9.9661 9.9661 15.7690 15.7690 15.8670 15.8670 16.0773 16.0773 16.9855 16.9855 17.9725 17.9725 18.1496 18.1496 k = 0.5625-0.0361 0.5103 ( 4780 PWs) bands (ev): -10.5864 -10.5864 -10.4553 -10.4553 -9.9805 -9.9805 -9.8042 -9.8042 -9.4685 -9.4685 -9.3682 -9.3682 -9.2715 -9.2715 -9.2664 -9.2664 1.8266 1.8266 1.8391 1.8391 2.3516 2.3516 2.4651 2.4651 3.0090 3.0090 3.0721 3.0721 3.2203 3.2203 3.2897 3.2897 3.5697 3.5697 3.6466 3.6466 3.7230 3.7230 3.8933 3.8933 4.3263 4.3263 4.5057 4.5057 4.6533 4.6533 4.7612 4.7612 5.3829 5.3829 5.4589 5.4589 5.4784 5.4784 5.5771 5.5771 5.8908 5.8908 5.9725 5.9725 6.0266 6.0266 6.1411 6.1411 8.6599 8.6599 8.7475 8.7475 8.9629 8.9629 9.0149 9.0149 9.2715 9.2715 9.3659 9.3659 9.6140 9.6140 9.6694 9.6694 9.7840 9.7840 9.9538 9.9538 15.7914 15.7914 15.8879 15.8879 16.0964 16.0964 16.8888 16.8888 18.0207 18.0207 18.1562 18.1562 k = 0.5536-0.0309 0.5249 ( 4776 PWs) bands (ev): -10.5786 -10.5786 -10.4593 -10.4593 -9.9747 -9.9747 -9.8264 -9.8264 -9.4488 -9.4488 -9.3665 -9.3665 -9.2761 -9.2761 -9.2715 -9.2715 1.8291 1.8291 1.8417 1.8417 2.3630 2.3630 2.4636 2.4636 3.0159 3.0159 3.0756 3.0756 3.2413 3.2413 3.2978 3.2978 3.5438 3.5438 3.6166 3.6166 3.7250 3.7250 3.8837 3.8837 4.3419 4.3419 4.4936 4.4936 4.6612 4.6612 4.7503 4.7503 5.3929 5.3929 5.4633 5.4633 5.4911 5.4911 5.5649 5.5649 5.9023 5.9023 5.9701 5.9701 6.0259 6.0259 6.1224 6.1224 8.6578 8.6578 8.7478 8.7478 8.9654 8.9654 9.0124 9.0124 9.2772 9.2772 9.3608 9.3608 9.6121 9.6121 9.6685 9.6685 9.7941 9.7941 9.9408 9.9408 15.8164 15.8164 15.9109 15.9109 16.1181 16.1181 16.7917 16.7917 18.0624 18.0624 18.1631 18.1631 k = 0.5446-0.0258 0.5395 ( 4780 PWs) bands (ev): -10.5698 -10.5698 -10.4644 -10.4644 -9.9682 -9.9682 -9.8473 -9.8473 -9.4301 -9.4301 -9.3648 -9.3648 -9.2810 -9.2810 -9.2770 -9.2770 1.8316 1.8316 1.8441 1.8441 2.3751 2.3751 2.4613 2.4613 3.0233 3.0233 3.0788 3.0788 3.2647 3.2647 3.3077 3.3077 3.5172 3.5172 3.5841 3.5841 3.7286 3.7286 3.8723 3.8723 4.3573 4.3573 4.4814 4.4814 4.6688 4.6688 4.7397 4.7397 5.4042 5.4042 5.4673 5.4673 5.5019 5.5019 5.5528 5.5528 5.9138 5.9138 5.9687 5.9687 6.0251 6.0251 6.1026 6.1026 8.6559 8.6559 8.7480 8.7480 8.9681 8.9681 9.0096 9.0096 9.2834 9.2834 9.3551 9.3551 9.6110 9.6110 9.6677 9.6677 9.8036 9.8036 9.9276 9.9276 15.8434 15.8434 15.9353 15.9353 16.1423 16.1423 16.6949 16.6949 18.0980 18.0980 18.1700 18.1700 k = 0.5357-0.0206 0.5541 ( 4774 PWs) bands (ev): -10.5601 -10.5601 -10.4706 -10.4706 -9.9609 -9.9609 -9.8668 -9.8668 -9.4128 -9.4128 -9.3634 -9.3634 -9.2860 -9.2860 -9.2826 -9.2826 1.8342 1.8342 1.8461 1.8461 2.3875 2.3875 2.4581 2.4581 3.0313 3.0313 3.0815 3.0815 3.2902 3.2902 3.3194 3.3194 3.4901 3.4901 3.5499 3.5499 3.7344 3.7344 3.8588 3.8588 4.3723 4.3723 4.4692 4.4692 4.6758 4.6758 4.7300 4.7300 5.4163 5.4163 5.4706 5.4706 5.5104 5.5104 5.5415 5.5415 5.9250 5.9250 5.9687 5.9687 6.0245 6.0245 6.0824 6.0824 8.6542 8.6542 8.7481 8.7481 8.9710 8.9710 9.0067 9.0067 9.2898 9.2898 9.3492 9.3492 9.6107 9.6107 9.6669 9.6669 9.8124 9.8124 9.9149 9.9149 15.8721 15.8721 15.9601 15.9601 16.1689 16.1689 16.5995 16.5995 18.1276 18.1276 18.1765 18.1765 k = 0.5268-0.0155 0.5686 ( 4760 PWs) bands (ev): -10.5494 -10.5494 -10.4784 -10.4784 -9.9530 -9.9530 -9.8845 -9.8845 -9.3971 -9.3971 -9.3625 -9.3625 -9.2910 -9.2910 -9.2881 -9.2881 1.8368 1.8368 1.8476 1.8476 2.4000 2.4000 2.4539 2.4539 3.0397 3.0397 3.0829 3.0829 3.3176 3.3176 3.3333 3.3333 3.4631 3.4631 3.5150 3.5150 3.7427 3.7427 3.8434 3.8434 4.3865 4.3865 4.4573 4.4573 4.6824 4.6824 4.7213 4.7213 5.4288 5.4288 5.4726 5.4726 5.5163 5.5163 5.5316 5.5316 5.9356 5.9356 5.9697 5.9697 6.0240 6.0240 6.0629 6.0629 8.6527 8.6527 8.7482 8.7482 8.9741 8.9741 9.0037 9.0037 9.2963 9.2963 9.3432 9.3432 9.6110 9.6110 9.6660 9.6660 9.8201 9.8201 9.9034 9.9034 15.9020 15.9020 15.9835 15.9835 16.1976 16.1976 16.5069 16.5069 18.1516 18.1516 18.1821 18.1821 k = 0.5179-0.0103 0.5832 ( 4756 PWs) bands (ev): -10.5378 -10.5378 -10.4877 -10.4877 -9.9444 -9.9444 -9.9003 -9.9003 -9.3835 -9.3835 -9.3626 -9.3626 -9.2956 -9.2956 -9.2927 -9.2927 1.8393 1.8393 1.8483 1.8483 2.4121 2.4121 2.4484 2.4484 3.0487 3.0487 3.0823 3.0823 3.3460 3.3460 3.3503 3.3503 3.4365 3.4365 3.4800 3.4800 3.7540 3.7540 3.8260 3.8260 4.3999 4.3999 4.4456 4.4456 4.6883 4.6883 4.7137 4.7137 5.4410 5.4410 5.4725 5.4725 5.5195 5.5195 5.5242 5.5242 5.9454 5.9454 5.9711 5.9711 6.0236 6.0236 6.0455 6.0455 8.6517 8.6517 8.7481 8.7481 8.9770 8.9770 9.0009 9.0009 9.3024 9.3024 9.3375 9.3375 9.6117 9.6117 9.6651 9.6651 9.8260 9.8260 9.8942 9.8942 15.9325 15.9325 16.0023 16.0023 16.2284 16.2284 16.4204 16.4204 18.1699 18.1699 18.1863 18.1863 k = 0.5089-0.0052 0.5978 ( 4756 PWs) bands (ev): -10.5252 -10.5252 -10.4988 -10.4988 -9.9351 -9.9351 -9.9140 -9.9140 -9.3729 -9.3729 -9.3638 -9.3638 -9.2990 -9.2990 -9.2959 -9.2959 1.8414 1.8414 1.8484 1.8484 2.4233 2.4233 2.4415 2.4415 3.0582 3.0582 3.0785 3.0785 3.3672 3.3672 3.3785 3.3785 3.4113 3.4113 3.4454 3.4454 3.7685 3.7685 3.8072 3.8072 4.4122 4.4122 4.4344 4.4344 4.6933 4.6933 4.7078 4.7078 5.4518 5.4518 5.4694 5.4694 5.5201 5.5201 5.5207 5.5207 5.9537 5.9537 5.9713 5.9713 6.0230 6.0230 6.0334 6.0334 8.6511 8.6511 8.7481 8.7481 8.9793 8.9793 8.9986 8.9986 9.3071 9.3071 9.3330 9.3330 9.6124 9.6124 9.6643 9.6643 9.8297 9.8297 9.8883 9.8883 15.9631 15.9631 16.0100 16.0100 16.2611 16.2611 16.3462 16.3462 18.1820 18.1820 18.1886 18.1886 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -10.5130 -10.5130 -10.5105 -10.5105 -9.9256 -9.9256 -9.9249 -9.9249 -9.3669 -9.3669 -9.3665 -9.3665 -9.3003 -9.3003 -9.2971 -9.2971 1.8424 1.8424 1.8481 1.8481 2.4330 2.4330 2.4334 2.4334 3.0661 3.0661 3.0728 3.0728 3.3871 3.3871 3.3892 3.3892 3.4067 3.4067 3.4158 3.4158 3.7840 3.7840 3.7900 3.7900 4.4215 4.4215 4.4254 4.4254 4.6956 4.6956 4.7052 4.7052 5.4581 5.4581 5.4658 5.4658 5.5195 5.5195 5.5203 5.5203 5.9580 5.9580 5.9701 5.9701 6.0220 6.0220 6.0298 6.0298 8.6509 8.6509 8.7481 8.7481 8.9803 8.9803 8.9977 8.9977 9.3091 9.3091 9.3313 9.3313 9.6127 9.6127 9.6640 9.6640 9.8309 9.8309 9.8864 9.8864 15.9889 15.9889 15.9996 15.9996 16.2949 16.2949 16.2960 16.2960 18.1866 18.1866 18.1892 18.1892 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -10.5130 -10.5130 -10.5105 -10.5105 -9.9256 -9.9256 -9.9249 -9.9249 -9.3669 -9.3669 -9.3665 -9.3665 -9.3003 -9.3003 -9.2971 -9.2971 1.8424 1.8424 1.8481 1.8481 2.4330 2.4330 2.4334 2.4334 3.0661 3.0661 3.0728 3.0728 3.3871 3.3871 3.3892 3.3892 3.4067 3.4067 3.4158 3.4158 3.7840 3.7840 3.7900 3.7900 4.4215 4.4215 4.4254 4.4254 4.6956 4.6956 4.7052 4.7052 5.4581 5.4581 5.4658 5.4658 5.5195 5.5195 5.5203 5.5203 5.9580 5.9580 5.9701 5.9701 6.0220 6.0220 6.0298 6.0298 8.6509 8.6509 8.7481 8.7481 8.9803 8.9803 8.9977 8.9977 9.3091 9.3091 9.3313 9.3313 9.6127 9.6127 9.6640 9.6640 9.8309 9.8309 9.8864 9.8864 15.9889 15.9889 15.9996 15.9996 16.2949 16.2949 16.2960 16.2960 18.1866 18.1866 18.1892 18.1892 k = 0.5000 0.0103 0.5978 ( 4760 PWs) bands (ev): -10.5317 -10.5317 -10.4924 -10.4924 -9.9389 -9.9389 -9.9103 -9.9103 -9.3722 -9.3722 -9.3618 -9.3618 -9.3007 -9.3007 -9.2967 -9.2967 1.8403 1.8403 1.8489 1.8489 2.4189 2.4189 2.4443 2.4443 3.0532 3.0532 3.0852 3.0852 3.3575 3.3575 3.3645 3.3645 3.4200 3.4200 3.4590 3.4590 3.7593 3.7593 3.8163 3.8163 4.4085 4.4085 4.4382 4.4382 4.6923 4.6923 4.7097 4.7097 5.4507 5.4507 5.4743 5.4743 5.5186 5.5186 5.5212 5.5212 5.9521 5.9521 5.9754 5.9754 6.0222 6.0222 6.0310 6.0310 8.6511 8.6511 8.7484 8.7484 8.9780 8.9780 8.9989 8.9989 9.3061 9.3061 9.3351 9.3351 9.6119 9.6119 9.6647 9.6647 9.8285 9.8285 9.8896 9.8896 15.9462 15.9462 16.0289 16.0289 16.2531 16.2531 16.3489 16.3489 18.1822 18.1822 18.1880 18.1880 k = 0.5000 0.0206 0.5832 ( 4760 PWs) bands (ev): -10.5519 -10.5519 -10.4741 -10.4741 -9.9508 -9.9508 -9.8940 -9.8940 -9.3782 -9.3782 -9.3576 -9.3576 -9.3014 -9.3014 -9.2958 -9.2958 1.8354 1.8354 1.8495 1.8495 2.4020 2.4020 2.4513 2.4513 3.0385 3.0385 3.0983 3.0983 3.3194 3.3194 3.3281 3.3281 3.4528 3.4528 3.5074 3.5074 3.7347 3.7347 3.8461 3.8461 4.3939 4.3939 4.4523 4.4523 4.6873 4.6873 4.7181 4.7181 5.4413 5.4413 5.4864 5.4864 5.5180 5.5180 5.5227 5.5227 5.9431 5.9431 5.9826 5.9826 6.0238 6.0238 6.0339 6.0339 8.6519 8.6519 8.7496 8.7496 8.9724 8.9724 9.0015 9.0015 9.3004 9.3004 9.3436 9.3436 9.6098 9.6098 9.6666 9.6666 9.8229 9.8229 9.8979 9.8979 15.8924 15.8924 16.0349 16.0349 16.2367 16.2367 16.4061 16.4061 18.1718 18.1718 18.1817 18.1817 k = 0.5000 0.0309 0.5686 ( 4770 PWs) bands (ev): -10.5724 -10.5724 -10.4569 -10.4569 -9.9607 -9.9607 -9.8768 -9.8768 -9.3846 -9.3846 -9.3545 -9.3545 -9.3018 -9.3018 -9.2949 -9.2949 1.8290 1.8290 1.8489 1.8489 2.3830 2.3830 2.4537 2.4537 3.0262 3.0262 3.1077 3.1077 3.2756 3.2756 3.3002 3.3002 3.4864 3.4864 3.5565 3.5565 3.7142 3.7142 3.8756 3.8756 4.3797 4.3797 4.4658 4.4658 4.6827 4.6827 4.7283 4.7283 5.4323 5.4323 5.4971 5.4971 5.5185 5.5185 5.5263 5.5263 5.9345 5.9345 5.9873 5.9873 6.0286 6.0286 6.0378 6.0378 8.6533 8.6533 8.7516 8.7516 8.9650 8.9650 9.0040 9.0040 9.2946 9.2946 9.3537 9.3537 9.6070 9.6070 9.6692 9.6692 9.8166 9.8166 9.9089 9.9089 15.8351 15.8351 16.0055 16.0055 16.2535 16.2535 16.4642 16.4642 18.1568 18.1568 18.1691 18.1691 k = 0.5000 0.0412 0.5541 ( 4776 PWs) bands (ev): -10.5930 -10.5930 -10.4411 -10.4411 -9.9684 -9.9684 -9.8587 -9.8587 -9.3911 -9.3911 -9.3526 -9.3526 -9.3016 -9.3016 -9.2943 -9.2943 1.8213 1.8213 1.8469 1.8469 2.3626 2.3626 2.4510 2.4510 3.0175 3.0175 3.1120 3.1120 3.2333 3.2333 3.2734 3.2734 3.5205 3.5205 3.6060 3.6060 3.6994 3.6994 3.9045 3.9045 4.3662 4.3662 4.4784 4.4784 4.6787 4.6787 4.7400 4.7400 5.4233 5.4233 5.5014 5.5014 5.5197 5.5197 5.5376 5.5376 5.9273 5.9273 5.9890 5.9890 6.0364 6.0364 6.0422 6.0422 8.6551 8.6551 8.7544 8.7544 8.9565 8.9565 9.0061 9.0061 9.2894 9.2894 9.3643 9.3643 9.6039 9.6039 9.6720 9.6720 9.8111 9.8111 9.9214 9.9214 15.7757 15.7757 15.9551 15.9551 16.2894 16.2894 16.5219 16.5219 18.1377 18.1377 18.1501 18.1501 k = 0.5000 0.0515 0.5395 ( 4778 PWs) bands (ev): -10.6134 -10.6134 -10.4271 -10.4271 -9.9736 -9.9736 -9.8400 -9.8400 -9.3978 -9.3978 -9.3519 -9.3519 -9.3007 -9.3007 -9.2940 -9.2940 1.8125 1.8125 1.8436 1.8436 2.3409 2.3409 2.4429 2.4429 3.0131 3.0131 3.1105 3.1105 3.1926 3.1926 3.2474 3.2474 3.5549 3.5549 3.6550 3.6550 3.6919 3.6919 3.9320 3.9320 4.3537 4.3537 4.4901 4.4901 4.6751 4.6751 4.7530 4.7530 5.4141 5.4141 5.4991 5.4991 5.5219 5.5219 5.5563 5.5563 5.9217 5.9217 5.9890 5.9890 6.0448 6.0448 6.0483 6.0483 8.6574 8.6574 8.7580 8.7580 8.9470 8.9470 9.0075 9.0075 9.2849 9.2849 9.3747 9.3747 9.6011 9.6011 9.6746 9.6746 9.8076 9.8076 9.9345 9.9345 15.7149 15.7149 15.8958 15.8958 16.3324 16.3324 16.5784 16.5784 18.1145 18.1145 18.1246 18.1246 k = 0.5000 0.0619 0.5249 ( 4778 PWs) bands (ev): -10.6335 -10.6335 -10.4151 -10.4151 -9.9760 -9.9760 -9.8207 -9.8207 -9.4045 -9.4045 -9.3524 -9.3524 -9.2992 -9.2992 -9.2941 -9.2941 1.8026 1.8026 1.8389 1.8389 2.3185 2.3185 2.4296 2.4296 3.0132 3.0132 3.1034 3.1034 3.1534 3.1534 3.2212 3.2212 3.5896 3.5896 3.6865 3.6865 3.7091 3.7091 3.9578 3.9578 4.3425 4.3425 4.5009 4.5009 4.6720 4.6720 4.7672 4.7672 5.4042 5.4042 5.4922 5.4922 5.5262 5.5262 5.5795 5.5795 5.9180 5.9180 5.9881 5.9881 6.0501 6.0501 6.0585 6.0585 8.6603 8.6603 8.7624 8.7624 8.9369 8.9369 9.0083 9.0083 9.2810 9.2810 9.3842 9.3842 9.5989 9.5989 9.6770 9.6770 9.8066 9.8066 9.9477 9.9477 15.6532 15.6532 15.8328 15.8328 16.3775 16.3775 16.6335 16.6335 18.0875 18.0875 18.0932 18.0932 k = 0.5000 0.0722 0.5103 ( 4778 PWs) bands (ev): -10.6533 -10.6533 -10.4054 -10.4054 -9.9754 -9.9754 -9.8010 -9.8010 -9.4113 -9.4113 -9.3540 -9.3540 -9.2976 -9.2976 -9.2943 -9.2943 1.7920 1.7920 1.8330 1.8330 2.2956 2.2956 2.4114 2.4114 3.0177 3.0177 3.0919 3.0919 3.1159 3.1159 3.1939 3.1939 3.6243 3.6243 3.6946 3.6946 3.7567 3.7567 3.9817 3.9817 4.3328 4.3328 4.5108 4.5108 4.6691 4.6691 4.7823 4.7823 5.3936 5.3936 5.4816 5.4816 5.5326 5.5326 5.6058 5.6058 5.9164 5.9164 5.9871 5.9871 6.0547 6.0547 6.0697 6.0697 8.6635 8.6635 8.7677 8.7677 8.9262 8.9262 9.0086 9.0086 9.2774 9.2774 9.3923 9.3923 9.5978 9.5978 9.6792 9.6792 9.8083 9.8083 9.9609 9.9609 15.5910 15.5910 15.7682 15.7682 16.4227 16.4227 16.6866 16.6866 18.0558 18.0558 18.0573 18.0573 k = 0.5000 0.0825 0.4957 ( 4778 PWs) bands (ev): -10.6727 -10.6727 -10.3980 -10.3980 -9.9718 -9.9718 -9.7810 -9.7810 -9.4180 -9.4180 -9.3565 -9.3565 -9.2975 -9.2975 -9.2934 -9.2934 1.7807 1.7807 1.8259 1.8259 2.2724 2.2724 2.3893 2.3893 3.0260 3.0260 3.0772 3.0772 3.0800 3.0800 3.1651 3.1651 3.6588 3.6588 3.7076 3.7076 3.8051 3.8051 4.0034 4.0034 4.3249 4.3249 4.5198 4.5198 4.6665 4.6665 4.7980 4.7980 5.3820 5.3820 5.4679 5.4679 5.5412 5.5412 5.6347 5.6347 5.9169 5.9169 5.9863 5.9863 6.0591 6.0591 6.0808 6.0808 8.6671 8.6671 8.7738 8.7738 8.9152 8.9152 9.0083 9.0083 9.2740 9.2740 9.3984 9.3984 9.5978 9.5978 9.6818 9.6818 9.8127 9.8127 9.9737 9.9737 15.5286 15.5286 15.7030 15.7030 16.4673 16.4673 16.7377 16.7377 18.0150 18.0150 18.0218 18.0218 k = 0.5000 0.0928 0.4811 ( 4786 PWs) bands (ev): -10.6915 -10.6915 -10.3930 -10.3930 -9.9652 -9.9652 -9.7609 -9.7609 -9.4246 -9.4246 -9.3595 -9.3595 -9.2991 -9.2991 -9.2912 -9.2912 1.7688 1.7688 1.8178 1.8178 2.2492 2.2492 2.3639 2.3639 3.0355 3.0355 3.0478 3.0478 3.0609 3.0609 3.1345 3.1345 3.6931 3.6931 3.7259 3.7259 3.8529 3.8529 4.0227 4.0227 4.3189 4.3189 4.5283 4.5283 4.6641 4.6641 4.8141 4.8141 5.3695 5.3695 5.4513 5.4513 5.5517 5.5517 5.6657 5.6657 5.9192 5.9192 5.9859 5.9859 6.0634 6.0634 6.0917 6.0917 8.6710 8.6710 8.7806 8.7806 8.9039 8.9039 9.0077 9.0077 9.2704 9.2704 9.4022 9.4022 9.5992 9.5992 9.6851 9.6851 9.8198 9.8198 9.9862 9.9862 15.4663 15.4663 15.6380 15.6380 16.5109 16.5109 16.7866 16.7866 17.9700 17.9700 17.9823 17.9823 k = 0.5000 0.1031 0.4666 ( 4780 PWs) bands (ev): -10.7097 -10.7097 -10.3901 -10.3901 -9.9557 -9.9557 -9.7407 -9.7407 -9.4311 -9.4311 -9.3630 -9.3630 -9.3016 -9.3016 -9.2889 -9.2889 1.7565 1.7565 1.8088 1.8088 2.2261 2.2261 2.3362 2.3362 3.0115 3.0115 3.0418 3.0418 3.0549 3.0549 3.1024 3.1024 3.7269 3.7269 3.7483 3.7483 3.8995 3.8995 4.0396 4.0396 4.3148 4.3148 4.5363 4.5363 4.6620 4.6620 4.8303 4.8303 5.3559 5.3559 5.4320 5.4320 5.5640 5.5640 5.6986 5.6986 5.9233 5.9233 5.9859 5.9859 6.0676 6.0676 6.1020 6.1020 8.6752 8.6752 8.7882 8.7882 8.8928 8.8928 9.0067 9.0067 9.2665 9.2665 9.4033 9.4033 9.6021 9.6021 9.6893 9.6893 9.8293 9.8293 9.9982 9.9982 15.4045 15.4045 15.5736 15.5736 16.5532 16.5532 16.8330 16.8330 17.9220 17.9220 17.9383 17.9383 k = 0.5000 0.1134 0.4520 ( 4780 PWs) bands (ev): -10.7272 -10.7272 -10.3893 -10.3893 -9.9437 -9.9437 -9.7205 -9.7205 -9.4374 -9.4374 -9.3668 -9.3668 -9.3049 -9.3049 -9.2866 -9.2866 1.7439 1.7439 1.7991 1.7991 2.2033 2.2033 2.3071 2.3071 2.9806 2.9806 3.0246 3.0246 3.0684 3.0684 3.0717 3.0717 3.7601 3.7601 3.7738 3.7738 3.9447 3.9447 4.0542 4.0542 4.3127 4.3127 4.5442 4.5442 4.6603 4.6603 4.8464 4.8464 5.3411 5.3411 5.4103 5.4103 5.5780 5.5780 5.7328 5.7328 5.9289 5.9289 5.9865 5.9865 6.0716 6.0716 6.1119 6.1119 8.6796 8.6796 8.7962 8.7962 8.8819 8.8819 9.0055 9.0055 9.2621 9.2621 9.4019 9.4019 9.6065 9.6065 9.6946 9.6946 9.8409 9.8409 10.0096 10.0096 15.3435 15.3435 15.5103 15.5103 16.5941 16.5941 16.8770 16.8770 17.8719 17.8719 17.8901 17.8901 k = 0.5000 0.1237 0.4374 ( 4782 PWs) bands (ev): -10.7440 -10.7440 -10.3902 -10.3902 -9.9294 -9.9294 -9.7004 -9.7004 -9.4434 -9.4434 -9.3708 -9.3708 -9.3089 -9.3089 -9.2846 -9.2846 1.7312 1.7312 1.7887 1.7887 2.1810 2.1810 2.2771 2.2771 2.9510 2.9510 3.0068 3.0068 3.0364 3.0364 3.0885 3.0885 3.7926 3.7926 3.8014 3.8014 3.9883 3.9883 4.0664 4.0664 4.3125 4.3125 4.5521 4.5521 4.6590 4.6590 4.8620 4.8620 5.3252 5.3252 5.3865 5.3865 5.5933 5.5933 5.7680 5.7680 5.9357 5.9357 5.9876 5.9876 6.0754 6.0754 6.1211 6.1211 8.6842 8.6842 8.8042 8.8042 8.8719 8.8719 9.0041 9.0041 9.2570 9.2570 9.3981 9.3981 9.6125 9.6125 9.7007 9.7007 9.8545 9.8545 10.0204 10.0204 15.2834 15.2834 15.4483 15.4483 16.6336 16.6336 16.9183 16.9183 17.8204 17.8204 17.8383 17.8383 k = 0.5000 0.1340 0.4228 ( 4778 PWs) bands (ev): -10.7600 -10.7600 -10.3925 -10.3925 -9.9133 -9.9133 -9.6806 -9.6806 -9.4492 -9.4492 -9.3749 -9.3749 -9.3137 -9.3137 -9.2830 -9.2830 1.7185 1.7185 1.7779 1.7779 2.1594 2.1594 2.2470 2.2470 2.9229 2.9229 2.9882 2.9882 3.0047 3.0047 3.1073 3.1073 3.8243 3.8243 3.8302 3.8302 4.0300 4.0300 4.0764 4.0764 4.3140 4.3140 4.5604 4.5604 4.6585 4.6585 4.8770 4.8770 5.3081 5.3081 5.3608 5.3608 5.6099 5.6099 5.8035 5.8035 5.9436 5.9436 5.9893 5.9893 6.0791 6.0791 6.1297 6.1297 8.6890 8.6890 8.8114 8.8114 8.8636 8.8636 9.0025 9.0025 9.2512 9.2512 9.3923 9.3923 9.6199 9.6199 9.7075 9.7075 9.8698 9.8698 10.0305 10.0305 15.2248 15.2248 15.3880 15.3880 16.6716 16.6716 16.9571 16.9571 17.7682 17.7682 17.7839 17.7839 k = 0.5000 0.1443 0.4082 ( 4778 PWs) bands (ev): -10.7752 -10.7752 -10.3958 -10.3958 -9.8957 -9.8957 -9.6610 -9.6610 -9.4547 -9.4547 -9.3790 -9.3790 -9.3192 -9.3192 -9.2818 -9.2818 1.7060 1.7060 1.7669 1.7669 2.1385 2.1385 2.2172 2.2172 2.8964 2.8964 2.9644 2.9644 2.9796 2.9796 3.1266 3.1266 3.8550 3.8550 3.8596 3.8596 4.0695 4.0695 4.0846 4.0846 4.3167 4.3167 4.5693 4.5693 4.6590 4.6590 4.8912 4.8912 5.2897 5.2897 5.3334 5.3334 5.6274 5.6274 5.8389 5.8389 5.9523 5.9523 5.9915 5.9915 6.0828 6.0828 6.1376 6.1376 8.6938 8.6938 8.8157 8.8157 8.8593 8.8593 9.0009 9.0009 9.2446 9.2446 9.3848 9.3848 9.6286 9.6286 9.7146 9.7146 9.8865 9.8865 10.0400 10.0400 15.1678 15.1678 15.3298 15.3298 16.7083 16.7083 16.9933 16.9933 17.7159 17.7159 17.7282 17.7282 k = 0.5000 0.1546 0.3937 ( 4774 PWs) bands (ev): -10.7894 -10.7894 -10.3999 -10.3999 -9.8770 -9.8770 -9.6419 -9.6419 -9.4598 -9.4598 -9.3831 -9.3831 -9.3254 -9.3254 -9.2810 -9.2810 1.6937 1.6937 1.7558 1.7558 2.1186 2.1186 2.1881 2.1881 2.8715 2.8715 2.9346 2.9346 2.9623 2.9623 3.1459 3.1459 3.8847 3.8847 3.8888 3.8888 4.0909 4.0909 4.1066 4.1066 4.3202 4.3202 4.5792 4.5792 4.6606 4.6606 4.9045 4.9045 5.2700 5.2700 5.3047 5.3047 5.6455 5.6455 5.8735 5.8735 5.9618 5.9618 5.9942 5.9942 6.0864 6.0864 6.1450 6.1450 8.6986 8.6986 8.8148 8.8148 8.8610 8.8610 8.9992 8.9992 9.2373 9.2373 9.3761 9.3761 9.6384 9.6384 9.7217 9.7217 9.9043 9.9043 10.0488 10.0488 15.1129 15.1129 15.2739 15.2739 16.7435 16.7435 17.0268 17.0268 17.6640 17.6640 17.6721 17.6721 k = 0.5000 0.1650 0.3791 ( 4772 PWs) bands (ev): -10.8028 -10.8028 -10.4046 -10.4046 -9.8575 -9.8575 -9.6232 -9.6232 -9.4645 -9.4645 -9.3872 -9.3872 -9.3323 -9.3323 -9.2807 -9.2807 1.6818 1.6818 1.7447 1.7447 2.0996 2.0996 2.1602 2.1602 2.8484 2.8484 2.9046 2.9046 2.9476 2.9476 3.1649 3.1649 3.9135 3.9135 3.9175 3.9175 4.0961 4.0961 4.1410 4.1410 4.3240 4.3240 4.5904 4.5904 4.6639 4.6639 4.9168 4.9168 5.2489 5.2489 5.2748 5.2748 5.6640 5.6640 5.9064 5.9064 5.9721 5.9721 5.9974 5.9974 6.0901 6.0901 6.1517 6.1517 8.7034 8.7034 8.8094 8.8094 8.8683 8.8683 8.9975 8.9975 9.2293 9.2293 9.3666 9.3666 9.6491 9.6491 9.7287 9.7287 9.9228 9.9228 10.0569 10.0569 15.0603 15.0603 15.2206 15.2206 16.7774 16.7774 17.0577 17.0577 17.6131 17.6131 17.6168 17.6168 k = 0.5000 0.1753 0.3645 ( 4774 PWs) bands (ev): -10.8152 -10.8152 -10.4095 -10.4095 -9.8377 -9.8377 -9.6050 -9.6050 -9.4688 -9.4688 -9.3913 -9.3913 -9.3399 -9.3399 -9.2808 -9.2808 1.6704 1.6704 1.7339 1.7339 2.0818 2.0818 2.1337 2.1337 2.8269 2.8269 2.8758 2.8758 2.9343 2.9343 3.1832 3.1832 3.9411 3.9411 3.9451 3.9451 4.1002 4.1002 4.1724 4.1724 4.3276 4.3276 4.6034 4.6034 4.6691 4.6691 4.9281 4.9281 5.2265 5.2265 5.2439 5.2439 5.6824 5.6824 5.9363 5.9363 5.9837 5.9837 6.0009 6.0009 6.0941 6.0941 6.1578 6.1578 8.7081 8.7081 8.8018 8.8018 8.8786 8.8786 8.9958 8.9958 9.2208 9.2208 9.3565 9.3565 9.6603 9.6603 9.7353 9.7353 9.9415 9.9415 10.0643 10.0643 15.0104 15.0104 15.1703 15.1703 16.8099 16.8099 17.0861 17.0861 17.5623 17.5623 17.5643 17.5643 k = 0.5000 0.1856 0.3499 ( 4778 PWs) bands (ev): -10.8266 -10.8266 -10.4145 -10.4145 -9.8178 -9.8178 -9.5875 -9.5875 -9.4726 -9.4726 -9.3952 -9.3952 -9.3481 -9.3481 -9.2814 -9.2814 1.6596 1.6596 1.7234 1.7234 2.0652 2.0652 2.1088 2.1088 2.8071 2.8071 2.8487 2.8487 2.9222 2.9222 3.2007 3.2007 3.9674 3.9674 3.9715 3.9715 4.1035 4.1035 4.2005 4.2005 4.3306 4.3306 4.6185 4.6185 4.6765 4.6765 4.9382 4.9382 5.2026 5.2026 5.2125 5.2125 5.7005 5.7005 5.9612 5.9612 5.9976 5.9976 6.0048 6.0048 6.0987 6.0987 6.1633 6.1633 8.7127 8.7127 8.7937 8.7937 8.8904 8.8904 8.9942 8.9942 9.2119 9.2119 9.3463 9.3463 9.6718 9.6718 9.7416 9.7416 9.9599 9.9599 10.0712 10.0712 14.9634 14.9634 15.1232 15.1232 16.8410 16.8410 17.1119 17.1119 17.5110 17.5110 17.5167 17.5167 k = 0.5000 0.1959 0.3353 ( 4776 PWs) bands (ev): -10.8370 -10.8370 -10.4194 -10.4194 -9.7981 -9.7981 -9.5708 -9.5708 -9.4759 -9.4759 -9.3991 -9.3991 -9.3569 -9.3569 -9.2823 -9.2823 1.6495 1.6495 1.7135 1.7135 2.0500 2.0500 2.0858 2.0858 2.7891 2.7891 2.8236 2.8236 2.9113 2.9113 3.2171 3.2171 3.9922 3.9922 3.9963 3.9963 4.1062 4.1062 4.2251 4.2251 4.3324 4.3324 4.6359 4.6359 4.6864 4.6864 4.9471 4.9471 5.1761 5.1761 5.1817 5.1817 5.7178 5.7178 5.9794 5.9794 6.0085 6.0085 6.0149 6.0149 6.1046 6.1046 6.1683 6.1683 8.7171 8.7171 8.7857 8.7857 8.9029 8.9029 8.9926 8.9926 9.2026 9.2026 9.3362 9.3362 9.6832 9.6832 9.7476 9.7476 9.9775 9.9775 10.0777 10.0777 14.9198 14.9198 15.0796 15.0796 16.8707 16.8707 17.1353 17.1353 17.4624 17.4624 17.4717 17.4717 k = 0.5000 0.2062 0.3208 ( 4784 PWs) bands (ev): -10.8464 -10.8464 -10.4240 -10.4240 -9.7790 -9.7790 -9.5549 -9.5549 -9.4786 -9.4786 -9.4029 -9.4029 -9.3662 -9.3662 -9.2836 -9.2836 1.6402 1.6402 1.7043 1.7043 2.0361 2.0361 2.0648 2.0648 2.7728 2.7728 2.8007 2.8007 2.9016 2.9016 3.2322 3.2322 4.0153 4.0153 4.0195 4.0195 4.1085 4.1085 4.2462 4.2462 4.3330 4.3330 4.6560 4.6560 4.6989 4.6989 4.9548 4.9548 5.1452 5.1452 5.1539 5.1539 5.7341 5.7341 5.9922 5.9922 6.0128 6.0128 6.0321 6.0321 6.1124 6.1124 6.1728 6.1728 8.7211 8.7211 8.7783 8.7783 8.9155 8.9155 8.9912 8.9912 9.1932 9.1932 9.3263 9.3263 9.6941 9.6941 9.7533 9.7533 9.9939 9.9939 10.0837 10.0837 14.8798 14.8798 15.0398 15.0398 16.8989 16.8989 17.1562 17.1562 17.4173 17.4173 17.4297 17.4297 k = 0.5000 0.2165 0.3062 ( 4778 PWs) bands (ev): -10.8547 -10.8547 -10.4284 -10.4284 -9.7607 -9.7607 -9.5400 -9.5400 -9.4807 -9.4807 -9.4066 -9.4066 -9.3757 -9.3757 -9.2852 -9.2852 1.6317 1.6317 1.6958 1.6958 2.0237 2.0237 2.0460 2.0460 2.7585 2.7585 2.7802 2.7802 2.8930 2.8930 3.2458 3.2458 4.0364 4.0364 4.0411 4.0411 4.1106 4.1106 4.2638 4.2638 4.3321 4.3321 4.6786 4.6786 4.7142 4.7142 4.9610 4.9610 5.1124 5.1124 5.1269 5.1269 5.7491 5.7491 6.0021 6.0021 6.0170 6.0170 6.0464 6.0464 6.1227 6.1227 6.1767 6.1767 8.7247 8.7247 8.7716 8.7716 8.9281 8.9281 8.9901 8.9901 9.1837 9.1837 9.3171 9.3171 9.7042 9.7042 9.7588 9.7588 10.0086 10.0086 10.0896 10.0896 14.8437 14.8437 15.0041 15.0041 16.9256 16.9256 17.1747 17.1747 17.3763 17.3763 17.3911 17.3911 k = 0.5000 0.2268 0.2916 ( 4786 PWs) bands (ev): -10.8619 -10.8619 -10.4323 -10.4323 -9.7437 -9.7437 -9.5262 -9.5262 -9.4820 -9.4820 -9.4102 -9.4102 -9.3855 -9.3855 -9.2870 -9.2870 1.6243 1.6243 1.6882 1.6882 2.0128 2.0128 2.0295 2.0295 2.7459 2.7459 2.7622 2.7622 2.8856 2.8856 3.2579 3.2579 4.0550 4.0550 4.0608 4.0608 4.1125 4.1125 4.2780 4.2780 4.3300 4.3300 4.7036 4.7036 4.7321 4.7321 4.9655 4.9655 5.0791 5.0791 5.0997 5.0997 5.7625 5.7625 6.0104 6.0104 6.0211 6.0211 6.0564 6.0564 6.1351 6.1351 6.1803 6.1803 8.7278 8.7278 8.7658 8.7658 8.9400 8.9400 8.9893 8.9893 9.1744 9.1744 9.3086 9.3086 9.7131 9.7131 9.7641 9.7641 10.0213 10.0213 10.0953 10.0953 14.8119 14.8119 14.9725 14.9725 16.9504 16.9504 17.1907 17.1907 17.3399 17.3399 17.3560 17.3560 k = 0.5000 0.2371 0.2770 ( 4784 PWs) bands (ev): -10.8681 -10.8681 -10.4358 -10.4358 -9.7283 -9.7283 -9.5136 -9.5136 -9.4827 -9.4827 -9.4137 -9.4137 -9.3951 -9.3951 -9.2888 -9.2888 1.6179 1.6179 1.6817 1.6817 2.0035 2.0035 2.0155 2.0155 2.7352 2.7352 2.7467 2.7467 2.8793 2.8793 3.2683 3.2683 4.0709 4.0709 4.0784 4.0784 4.1146 4.1146 4.2890 4.2890 4.3269 4.3269 4.7308 4.7308 4.7526 4.7526 4.9677 4.9677 5.0458 5.0458 5.0729 5.0729 5.7740 5.7740 6.0173 6.0173 6.0250 6.0250 6.0627 6.0627 6.1480 6.1480 6.1835 6.1835 8.7302 8.7302 8.7612 8.7612 8.9508 8.9508 8.9891 8.9891 9.1655 9.1655 9.3010 9.3010 9.7207 9.7207 9.7692 9.7692 10.0316 10.0316 10.1009 10.1009 14.7844 14.7844 14.9455 14.9455 16.9732 16.9732 17.2042 17.2042 17.3086 17.3086 17.3251 17.3251 k = 0.5000 0.2474 0.2624 ( 4788 PWs) bands (ev): -10.8731 -10.8731 -10.4386 -10.4386 -9.7148 -9.7148 -9.5025 -9.5025 -9.4826 -9.4826 -9.4172 -9.4172 -9.4043 -9.4043 -9.2906 -9.2906 1.6125 1.6125 1.6762 1.6762 1.9958 1.9958 2.0039 2.0039 2.7264 2.7264 2.7340 2.7340 2.8742 2.8742 3.2769 3.2769 4.0841 4.0841 4.0928 4.0928 4.1175 4.1175 4.2972 4.2972 4.3232 4.3232 4.7597 4.7597 4.7754 4.7754 4.9660 4.9660 5.0126 5.0126 5.0482 5.0482 5.7837 5.7837 6.0231 6.0231 6.0285 6.0285 6.0665 6.0665 6.1598 6.1598 6.1866 6.1866 8.7317 8.7317 8.7578 8.7578 8.9598 8.9598 8.9898 8.9898 9.1572 9.1572 9.2945 9.2945 9.7267 9.7267 9.7739 9.7739 10.0395 10.0395 10.1061 10.1061 14.7617 14.7617 14.9230 14.9230 16.9935 16.9935 17.2149 17.2149 17.2829 17.2829 17.2986 17.2986 k = 0.5000 0.2577 0.2479 ( 4802 PWs) bands (ev): -10.8771 -10.8771 -10.4409 -10.4409 -9.7037 -9.7037 -9.4932 -9.4932 -9.4818 -9.4818 -9.4205 -9.4205 -9.4126 -9.4126 -9.2922 -9.2922 1.6083 1.6083 1.6718 1.6718 1.9895 1.9895 1.9950 1.9950 2.7195 2.7195 2.7241 2.7241 2.8702 2.8702 3.2836 3.2836 4.0942 4.0942 4.1028 4.1028 4.1221 4.1221 4.3026 4.3026 4.3197 4.3197 4.7897 4.7897 4.8003 4.8003 4.9575 4.9575 4.9798 4.9798 5.0288 5.0288 5.7912 5.7912 6.0277 6.0277 6.0315 6.0315 6.0685 6.0685 6.1692 6.1692 6.1896 6.1896 8.7324 8.7324 8.7557 8.7557 8.9664 8.9664 8.9916 8.9916 9.1500 9.1500 9.2893 9.2893 9.7312 9.7312 9.7779 9.7779 10.0453 10.0453 10.1107 10.1107 14.7437 14.7437 14.9054 14.9054 17.0107 17.0107 17.2223 17.2223 17.2635 17.2635 17.2770 17.2770 k = 0.5000 0.2681 0.2333 ( 4792 PWs) bands (ev): -10.8799 -10.8799 -10.4426 -10.4426 -9.6955 -9.6955 -9.4862 -9.4862 -9.4803 -9.4803 -9.4235 -9.4235 -9.4192 -9.4192 -9.2935 -9.2935 1.6053 1.6053 1.6687 1.6687 1.9848 1.9848 1.9889 1.9889 2.7144 2.7144 2.7172 2.7172 2.8673 2.8673 3.2885 3.2885 4.1011 4.1011 4.1084 4.1084 4.1281 4.1281 4.3055 4.3055 4.3173 4.3173 4.8203 4.8203 4.8272 4.8272 4.9398 4.9398 4.9476 4.9476 5.0174 5.0174 5.7966 5.7966 6.0309 6.0309 6.0340 6.0340 6.0696 6.0696 6.1755 6.1755 6.1927 6.1927 8.7325 8.7325 8.7546 8.7546 8.9704 8.9704 8.9944 8.9944 9.1443 9.1443 9.2855 9.2855 9.7344 9.7344 9.7811 9.7811 10.0492 10.0492 10.1144 10.1144 14.7308 14.7308 14.8928 14.8928 17.0241 17.0241 17.2253 17.2253 17.2518 17.2518 17.2608 17.2608 k = 0.5000 0.2784 0.2187 ( 4794 PWs) bands (ev): -10.8816 -10.8816 -10.4436 -10.4436 -9.6904 -9.6904 -9.4824 -9.4824 -9.4783 -9.4783 -9.4263 -9.4263 -9.4231 -9.4231 -9.2943 -9.2943 1.6034 1.6034 1.6668 1.6668 1.9818 1.9818 1.9854 1.9854 2.7111 2.7111 2.7132 2.7132 2.8656 2.8656 3.2914 3.2914 4.1047 4.1047 4.1113 4.1113 4.1330 4.1330 4.3062 4.3062 4.3164 4.3164 4.8501 4.8501 4.8559 4.8559 4.9150 4.9150 4.9165 4.9165 5.0125 5.0125 5.7999 5.7999 6.0328 6.0328 6.0357 6.0357 6.0701 6.0701 6.1788 6.1788 6.1951 6.1951 8.7324 8.7324 8.7541 8.7541 8.9722 8.9722 8.9968 8.9968 9.1406 9.1406 9.2832 9.2832 9.7362 9.7362 9.7832 9.7832 10.0513 10.0513 10.1168 10.1168 14.7230 14.7230 14.8851 14.8851 17.0327 17.0327 17.2241 17.2241 17.2476 17.2476 17.2508 17.2508 k = 0.5000 0.2887 0.2041 ( 4802 PWs) bands (ev): -10.8821 -10.8821 -10.4439 -10.4439 -9.6886 -9.6886 -9.4814 -9.4814 -9.4771 -9.4771 -9.4275 -9.4275 -9.4242 -9.4242 -9.2945 -9.2945 1.6028 1.6028 1.6662 1.6662 1.9807 1.9807 1.9843 1.9843 2.7100 2.7100 2.7120 2.7120 2.8650 2.8650 3.2924 3.2924 4.1057 4.1057 4.1124 4.1124 4.1348 4.1348 4.3061 4.3061 4.3163 4.3163 4.8710 4.8710 4.8837 4.8837 4.8881 4.8881 4.8954 4.8954 5.0112 5.0112 5.8010 5.8010 6.0334 6.0334 6.0363 6.0363 6.0703 6.0703 6.1797 6.1797 6.1961 6.1961 8.7322 8.7322 8.7539 8.7539 8.9727 8.9727 8.9978 8.9978 9.1393 9.1393 9.2824 9.2824 9.7368 9.7368 9.7839 9.7839 10.0520 10.0520 10.1175 10.1175 14.7204 14.7204 14.8826 14.8826 17.0357 17.0357 17.2229 17.2229 17.2465 17.2465 17.2479 17.2479 k = 0.5000 0.2887 0.2041 ( 4802 PWs) bands (ev): -10.8821 -10.8821 -10.4439 -10.4439 -9.6886 -9.6886 -9.4814 -9.4814 -9.4771 -9.4771 -9.4275 -9.4275 -9.4242 -9.4242 -9.2945 -9.2945 1.6028 1.6028 1.6662 1.6662 1.9807 1.9807 1.9843 1.9843 2.7100 2.7100 2.7120 2.7120 2.8650 2.8650 3.2924 3.2924 4.1057 4.1057 4.1124 4.1124 4.1348 4.1348 4.3061 4.3061 4.3163 4.3163 4.8710 4.8710 4.8837 4.8837 4.8881 4.8881 4.8954 4.8954 5.0112 5.0112 5.8010 5.8010 6.0334 6.0334 6.0363 6.0363 6.0703 6.0703 6.1797 6.1797 6.1961 6.1961 8.7322 8.7322 8.7539 8.7539 8.9727 8.9727 8.9978 8.9978 9.1393 9.1393 9.2824 9.2824 9.7368 9.7368 9.7839 9.7839 10.0520 10.0520 10.1175 10.1175 14.7204 14.7204 14.8826 14.8826 17.0357 17.0357 17.2229 17.2229 17.2465 17.2465 17.2479 17.2479 k = 0.4948 0.2857 0.2211 ( 4796 PWs) bands (ev): -10.8816 -10.8816 -10.4436 -10.4436 -9.6904 -9.6904 -9.4824 -9.4824 -9.4783 -9.4783 -9.4262 -9.4262 -9.4231 -9.4231 -9.2943 -9.2943 1.6035 1.6035 1.6668 1.6668 1.9818 1.9818 1.9854 1.9854 2.7112 2.7112 2.7132 2.7132 2.8656 2.8656 3.2914 3.2914 4.1046 4.1046 4.1113 4.1113 4.1329 4.1329 4.3062 4.3062 4.3164 4.3164 4.8499 4.8499 4.8556 4.8556 4.9156 4.9156 4.9164 4.9164 5.0125 5.0125 5.7999 5.7999 6.0328 6.0328 6.0357 6.0357 6.0701 6.0701 6.1787 6.1787 6.1951 6.1951 8.7323 8.7323 8.7541 8.7541 8.9722 8.9722 8.9968 8.9968 9.1406 9.1406 9.2832 9.2832 9.7362 9.7362 9.7832 9.7832 10.0513 10.0513 10.1167 10.1167 14.7231 14.7231 14.8852 14.8852 17.0326 17.0326 17.2241 17.2241 17.2475 17.2475 17.2510 17.2510 k = 0.4896 0.2827 0.2381 ( 4789 PWs) bands (ev): -10.8798 -10.8798 -10.4425 -10.4425 -9.6956 -9.6956 -9.4859 -9.4859 -9.4807 -9.4807 -9.4232 -9.4232 -9.4193 -9.4193 -9.2934 -9.2934 1.6053 1.6053 1.6688 1.6688 1.9849 1.9849 1.9890 1.9890 2.7145 2.7145 2.7173 2.7173 2.8674 2.8674 3.2884 3.2884 4.1007 4.1007 4.1086 4.1086 4.1279 4.1279 4.3055 4.3055 4.3173 4.3173 4.8204 4.8204 4.8259 4.8259 4.9420 4.9420 4.9465 4.9465 5.0176 5.0176 5.7966 5.7966 6.0309 6.0309 6.0340 6.0340 6.0696 6.0696 6.1754 6.1754 6.1926 6.1926 8.7326 8.7326 8.7546 8.7546 8.9703 8.9703 8.9943 8.9943 9.1444 9.1444 9.2856 9.2856 9.7343 9.7343 9.7811 9.7811 10.0491 10.0491 10.1144 10.1144 14.7310 14.7310 14.8930 14.8930 17.0239 17.0239 17.2266 17.2266 17.2489 17.2489 17.2630 17.2630 k = 0.4844 0.2797 0.2552 ( 4797 PWs) bands (ev): -10.8770 -10.8770 -10.4409 -10.4409 -9.7040 -9.7040 -9.4919 -9.4919 -9.4836 -9.4836 -9.4192 -9.4192 -9.4132 -9.4132 -9.2922 -9.2922 1.6084 1.6084 1.6719 1.6719 1.9897 1.9897 1.9953 1.9953 2.7197 2.7197 2.7244 2.7244 2.8703 2.8703 3.2835 3.2835 4.0924 4.0924 4.1051 4.1051 4.1209 4.1209 4.3027 4.3027 4.3197 4.3197 4.7910 4.7910 4.7970 4.7970 4.9615 4.9615 4.9770 4.9770 5.0298 5.0298 5.7910 5.7910 6.0276 6.0276 6.0314 6.0314 6.0686 6.0686 6.1688 6.1688 6.1897 6.1897 8.7324 8.7324 8.7558 8.7558 8.9663 8.9663 8.9915 8.9915 9.1502 9.1502 9.2895 9.2895 9.7311 9.7311 9.7778 9.7778 10.0451 10.0451 10.1106 10.1106 14.7442 14.7442 14.9059 14.9059 17.0100 17.0100 17.2291 17.2291 17.2511 17.2511 17.2838 17.2838 k = 0.4792 0.2766 0.2722 ( 4788 PWs) bands (ev): -10.8729 -10.8729 -10.4385 -10.4385 -9.7154 -9.7154 -9.4993 -9.4993 -9.4872 -9.4872 -9.4141 -9.4141 -9.4059 -9.4059 -9.2905 -9.2905 1.6127 1.6127 1.6764 1.6764 1.9960 1.9960 2.0044 2.0044 2.7267 2.7267 2.7345 2.7345 2.8743 2.8743 3.2765 3.2765 4.0792 4.0792 4.1010 4.1010 4.1130 4.1130 4.2974 4.2974 4.3230 4.3230 4.7628 4.7628 4.7693 4.7693 4.9712 4.9712 5.0073 5.0073 5.0514 5.0514 5.7833 5.7833 6.0231 6.0231 6.0280 6.0280 6.0667 6.0667 6.1584 6.1584 6.1872 6.1872 8.7317 8.7317 8.7580 8.7580 8.9595 8.9595 8.9897 8.9897 9.1576 9.1576 9.2948 9.2948 9.7265 9.7265 9.7737 9.7737 10.0392 10.0392 10.1060 10.1060 14.7625 14.7625 14.9239 14.9239 16.9914 16.9914 17.2326 17.2326 17.2545 17.2545 17.3121 17.3121 k = 0.4740 0.2736 0.2892 ( 4787 PWs) bands (ev): -10.8678 -10.8678 -10.4356 -10.4356 -9.7292 -9.7292 -9.5073 -9.5073 -9.4917 -9.4917 -9.4080 -9.4080 -9.3979 -9.3979 -9.2888 -9.2888 1.6182 1.6182 1.6820 1.6820 2.0039 2.0039 2.0162 2.0162 2.7356 2.7356 2.7476 2.7476 2.8796 2.8796 3.2678 3.2678 4.0615 4.0615 4.0959 4.0959 4.1045 4.1045 4.2897 4.2897 4.3261 4.3261 4.7364 4.7364 4.7432 4.7432 4.9740 4.9740 5.0375 5.0375 5.0792 5.0792 5.7735 5.7735 6.0175 6.0175 6.0239 6.0239 6.0639 6.0639 6.1445 6.1445 6.1853 6.1853 8.7301 8.7301 8.7614 8.7614 8.9503 8.9503 8.9891 8.9891 9.1659 9.1659 9.3014 9.3014 9.7203 9.7203 9.7690 9.7690 10.0308 10.0308 10.1008 10.1008 14.7857 14.7857 14.9467 14.9467 16.9684 16.9684 17.2382 17.2382 17.2592 17.2592 17.3466 17.3466 k = 0.4688 0.2706 0.3062 ( 4788 PWs) bands (ev): -10.8615 -10.8615 -10.4321 -10.4321 -9.7451 -9.7451 -9.5156 -9.5156 -9.4971 -9.4971 -9.4011 -9.4011 -9.3896 -9.3896 -9.2869 -9.2869 1.6247 1.6247 1.6887 1.6887 2.0133 2.0133 2.0306 2.0306 2.7465 2.7465 2.7633 2.7633 2.8860 2.8860 3.2572 3.2572 4.0402 4.0402 4.0894 4.0894 4.0957 4.0957 4.2795 4.2795 4.3284 4.3284 4.7118 4.7118 4.7192 4.7192 4.9731 4.9731 5.0673 5.0673 5.1094 5.1094 5.7616 5.7616 6.0108 6.0108 6.0190 6.0190 6.0600 6.0600 6.1274 6.1274 6.1840 6.1840 8.7277 8.7277 8.7661 8.7661 8.9392 8.9392 8.9893 8.9893 9.1749 9.1749 9.3091 9.3091 9.7125 9.7125 9.7640 9.7640 10.0197 10.0197 10.0956 10.0956 14.8137 14.8137 14.9744 14.9744 16.9410 16.9410 17.2464 17.2464 17.2653 17.2653 17.3864 17.3864 k = 0.4635 0.2676 0.3232 ( 4785 PWs) bands (ev): -10.8541 -10.8541 -10.4281 -10.4281 -9.7629 -9.7629 -9.5241 -9.5241 -9.5032 -9.5032 -9.3937 -9.3937 -9.3811 -9.3811 -9.2852 -9.2852 1.6323 1.6323 1.6964 1.6964 2.0243 2.0243 2.0476 2.0476 2.7591 2.7591 2.7818 2.7818 2.8936 2.8936 3.2448 3.2448 4.0160 4.0160 4.0805 4.0805 4.0873 4.0873 4.2667 4.2667 4.3292 4.3292 4.6893 4.6893 4.6979 4.6979 4.9703 4.9703 5.0966 5.0966 5.1402 5.1402 5.7478 5.7478 6.0029 6.0029 6.0132 6.0132 6.0552 6.0552 6.1076 6.1076 6.1834 6.1834 8.7246 8.7246 8.7719 8.7719 8.9272 8.9272 8.9901 8.9901 9.1843 9.1843 9.3178 9.3178 9.7033 9.7033 9.7589 9.7589 10.0059 10.0059 10.0905 10.0905 14.8462 14.8462 15.0065 15.0065 16.9091 16.9091 17.2576 17.2576 17.2731 17.2731 17.4307 17.4307 k = 0.4583 0.2646 0.3402 ( 4781 PWs) bands (ev): -10.8456 -10.8456 -10.4237 -10.4237 -9.7820 -9.7820 -9.5327 -9.5327 -9.5097 -9.5097 -9.3859 -9.3859 -9.3725 -9.3725 -9.2836 -9.2836 1.6409 1.6409 1.7050 1.7050 2.0367 2.0367 2.0669 2.0669 2.7736 2.7736 2.8029 2.8029 2.9024 2.9024 3.2309 3.2309 3.9893 3.9893 4.0691 4.0691 4.0793 4.0793 4.2509 4.2509 4.3282 4.3282 4.6688 4.6688 4.6798 4.6798 4.9661 4.9661 5.1253 5.1253 5.1707 5.1707 5.7323 5.7323 5.9938 5.9938 6.0064 6.0064 6.0496 6.0496 6.0859 6.0859 6.1835 6.1835 8.7210 8.7210 8.7786 8.7786 8.9146 8.9146 8.9913 8.9913 9.1938 9.1938 9.3272 9.3272 9.6930 9.6930 9.7539 9.7539 9.9895 9.9895 10.0857 10.0857 14.8829 14.8829 15.0430 15.0430 16.8727 16.8727 17.2718 17.2718 17.2827 17.2827 17.4789 17.4789 k = 0.4531 0.2616 0.3572 ( 4781 PWs) bands (ev): -10.8361 -10.8361 -10.4189 -10.4189 -9.8024 -9.8024 -9.5413 -9.5413 -9.5167 -9.5167 -9.3781 -9.3781 -9.3640 -9.3640 -9.2824 -9.2824 1.6503 1.6503 1.7143 1.7143 2.0505 2.0505 2.0886 2.0886 2.7899 2.7899 2.8264 2.8264 2.9123 2.9123 3.2155 3.2155 3.9604 3.9604 4.0558 4.0558 4.0710 4.0710 4.2321 4.2321 4.3253 4.3253 4.6506 4.6506 4.6649 4.6649 4.9608 4.9608 5.1533 5.1533 5.2004 5.2004 5.7152 5.7152 5.9833 5.9833 5.9980 5.9980 6.0434 6.0434 6.0635 6.0635 6.1843 6.1843 8.7170 8.7170 8.7860 8.7860 8.9019 8.9019 8.9927 8.9927 9.2032 9.2032 9.3372 9.3372 9.6819 9.6819 9.7488 9.7488 9.9706 9.9706 10.0811 10.0811 14.9235 14.9235 15.0836 15.0836 16.8320 16.8320 17.2876 17.2876 17.2952 17.2952 17.5304 17.5304 k = 0.4479 0.2586 0.3742 ( 4783 PWs) bands (ev): -10.8255 -10.8255 -10.4140 -10.4140 -9.8235 -9.8235 -9.5498 -9.5498 -9.5240 -9.5240 -9.3703 -9.3703 -9.3555 -9.3555 -9.2815 -9.2815 1.6606 1.6606 1.7244 1.7244 2.0657 2.0657 2.1124 2.1124 2.8078 2.8078 2.8522 2.8522 2.9235 2.9235 3.1988 3.1988 3.9297 3.9297 4.0411 4.0411 4.0622 4.0622 4.2101 4.2101 4.3205 4.3205 4.6349 4.6349 4.6531 4.6531 4.9545 4.9545 5.1804 5.1804 5.2289 5.2289 5.6969 5.6969 5.9713 5.9713 5.9866 5.9866 6.0356 6.0356 6.0437 6.0437 6.1855 6.1855 8.7127 8.7127 8.7937 8.7937 8.8896 8.8896 8.9943 8.9943 9.2124 9.2124 9.3475 9.3475 9.6706 9.6706 9.7437 9.7437 9.9497 9.9497 10.0766 10.0766 14.9676 14.9676 15.1279 15.1279 16.7871 16.7871 17.3020 17.3020 17.3132 17.3132 17.5844 17.5844 k = 0.4427 0.2556 0.3912 ( 4778 PWs) bands (ev): -10.8138 -10.8138 -10.4090 -10.4090 -9.8453 -9.8453 -9.5583 -9.5583 -9.5314 -9.5314 -9.3628 -9.3628 -9.3471 -9.3471 -9.2809 -9.2809 1.6715 1.6715 1.7349 1.7349 2.0819 2.0819 2.1382 2.1382 2.8273 2.8273 2.8798 2.8798 2.9359 2.9359 3.1811 3.1811 3.8975 3.8975 4.0249 4.0249 4.0527 4.0527 4.1851 4.1851 4.3141 4.3141 4.6216 4.6216 4.6441 4.6441 4.9475 4.9475 5.2067 5.2067 5.2559 5.2559 5.6775 5.6775 5.9579 5.9579 5.9696 5.9696 6.0218 6.0218 6.0341 6.0341 6.1873 6.1873 8.7084 8.7084 8.8013 8.8013 8.8783 8.8783 8.9960 8.9960 9.2211 9.2211 9.3580 9.3580 9.6595 9.6595 9.7385 9.7385 9.9272 9.9272 10.0721 10.0721 15.0150 15.0150 15.1759 15.1759 16.7382 16.7382 17.3157 17.3157 17.3356 17.3356 17.6402 17.6402 k = 0.4375 0.2526 0.4082 ( 4772 PWs) bands (ev): -10.8012 -10.8012 -10.4042 -10.4042 -9.8672 -9.8672 -9.5666 -9.5666 -9.5389 -9.5389 -9.3557 -9.3557 -9.3388 -9.3388 -9.2807 -9.2807 1.6831 1.6831 1.7457 1.7457 2.0993 2.0993 2.1658 2.1658 2.8484 2.8484 2.9090 2.9090 2.9496 2.9496 3.1626 3.1626 3.8641 3.8641 4.0074 4.0074 4.0427 4.0427 4.1571 4.1571 4.3063 4.3063 4.6107 4.6107 4.6375 4.6375 4.9396 4.9396 5.2318 5.2318 5.2811 5.2811 5.6574 5.6574 5.9426 5.9426 5.9466 5.9466 6.0100 6.0100 6.0285 6.0285 6.1894 6.1894 8.7040 8.7040 8.8077 8.8077 8.8689 8.8689 8.9978 8.9978 9.2291 9.2291 9.3683 9.3683 9.6492 9.6492 9.7332 9.7332 9.9035 9.9035 10.0676 10.0676 15.0653 15.0653 15.2271 15.2271 16.6854 16.6854 17.3300 17.3300 17.3603 17.3603 17.6966 17.6966 k = 0.4323 0.2496 0.4253 ( 4782 PWs) bands (ev): -10.7877 -10.7877 -10.3997 -10.3997 -9.8889 -9.8889 -9.5747 -9.5747 -9.5464 -9.5464 -9.3492 -9.3492 -9.3307 -9.3307 -9.2807 -9.2807 1.6951 1.6951 1.7567 1.7567 2.1175 2.1175 2.1950 2.1950 2.8709 2.8709 2.9389 2.9389 2.9649 2.9649 3.1438 3.1438 3.8299 3.8299 3.9887 3.9887 4.0322 4.0322 4.1266 4.1266 4.2976 4.2976 4.6021 4.6021 4.6327 4.6327 4.9310 4.9310 5.2556 5.2556 5.3043 5.3043 5.6369 5.6369 5.9171 5.9171 5.9283 5.9283 6.0022 6.0022 6.0236 6.0236 6.1917 6.1917 8.6996 8.6996 8.8113 8.8113 8.8633 8.8633 8.9995 8.9995 9.2363 9.2363 9.3782 9.3782 9.6401 9.6401 9.7276 9.7276 9.8790 9.8790 10.0629 10.0629 15.1179 15.1179 15.2812 15.2812 16.6290 16.6290 17.3450 17.3450 17.3866 17.3866 17.7523 17.7523 k = 0.4271 0.2466 0.4423 ( 4784 PWs) bands (ev): -10.7732 -10.7732 -10.3959 -10.3959 -9.9102 -9.9102 -9.5827 -9.5827 -9.5537 -9.5537 -9.3436 -9.3436 -9.3227 -9.3227 -9.2808 -9.2808 1.7074 1.7074 1.7676 1.7676 2.1364 2.1364 2.2255 2.2255 2.8947 2.8947 2.9672 2.9672 2.9830 2.9830 3.1256 3.1256 3.7955 3.7955 3.9686 3.9686 4.0210 4.0210 4.0938 4.0938 4.2885 4.2885 4.5954 4.5954 4.6292 4.6292 4.9217 4.9217 5.2780 5.2780 5.3253 5.3253 5.6162 5.6162 5.8863 5.8863 5.9123 5.9123 5.9971 5.9971 6.0193 6.0193 6.1942 6.1942 8.6954 8.6954 8.8102 8.8102 8.8632 8.8632 9.0014 9.0014 9.2425 9.2425 9.3873 9.3873 9.6328 9.6328 9.7217 9.7217 9.8543 9.8543 10.0582 10.0582 15.1726 15.1726 15.3381 15.3381 16.5690 16.5690 17.3604 17.3604 17.4138 17.4138 17.8058 17.8058 k = 0.4219 0.2436 0.4593 ( 4787 PWs) bands (ev): -10.7579 -10.7579 -10.3930 -10.3930 -9.9305 -9.9305 -9.5905 -9.5905 -9.5610 -9.5610 -9.3392 -9.3392 -9.3149 -9.3149 -9.2806 -9.2806 1.7200 1.7200 1.7782 1.7782 2.1559 2.1559 2.2568 2.2568 2.9197 2.9197 2.9899 2.9899 3.0059 3.0059 3.1098 3.1098 3.7615 3.7615 3.9473 3.9473 4.0088 4.0088 4.0597 4.0597 4.2794 4.2794 4.5906 4.5906 4.6265 4.6265 4.9118 4.9118 5.2986 5.2986 5.3438 5.3438 5.5957 5.5957 5.8542 5.8542 5.8964 5.8964 5.9938 5.9938 6.0154 6.0154 6.1967 6.1967 8.6913 8.6913 8.8048 8.8048 8.8683 8.8683 9.0032 9.0032 9.2476 9.2476 9.3955 9.3955 9.6278 9.6278 9.7155 9.7155 9.8298 9.8298 10.0532 10.0532 15.2289 15.2289 15.3972 15.3972 16.5057 16.5057 17.3761 17.3761 17.4413 17.4413 17.8554 17.8554 k = 0.4167 0.2406 0.4763 ( 4787 PWs) bands (ev): -10.7418 -10.7418 -10.3915 -10.3915 -9.9493 -9.9493 -9.5981 -9.5981 -9.5680 -9.5680 -9.3364 -9.3364 -9.3073 -9.3073 -9.2798 -9.2798 1.7326 1.7326 1.7883 1.7883 2.1756 2.1756 2.2887 2.2887 2.9457 2.9457 3.0083 3.0083 3.0265 3.0265 3.1016 3.1016 3.7288 3.7288 3.9248 3.9248 3.9942 3.9942 4.0263 4.0263 4.2706 4.2706 4.5872 4.5872 4.6241 4.6241 4.9014 4.9014 5.3172 5.3172 5.3597 5.3597 5.5757 5.5757 5.8218 5.8218 5.8812 5.8812 5.9923 5.9923 6.0119 6.0119 6.1991 6.1991 8.6875 8.6875 8.7972 8.7972 8.8766 8.8766 9.0051 9.0051 9.2515 9.2515 9.4022 9.4022 9.6252 9.6252 9.7089 9.7089 9.8064 9.8064 10.0481 10.0481 15.2862 15.2862 15.4582 15.4582 16.4393 16.4393 17.3917 17.3917 17.4685 17.4685 17.9003 17.9003 k = 0.4115 0.2376 0.4933 ( 4796 PWs) bands (ev): -10.7251 -10.7251 -10.3916 -10.3916 -9.9662 -9.9662 -9.6054 -9.6054 -9.5748 -9.5748 -9.3355 -9.3355 -9.2999 -9.2999 -9.2782 -9.2782 1.7452 1.7452 1.7977 1.7977 2.1953 2.1953 2.3205 2.3205 2.9725 2.9725 3.0226 3.0226 3.0355 3.0355 3.1097 3.1097 3.6987 3.6987 3.9011 3.9011 3.9706 3.9706 4.0006 4.0006 4.2626 4.2626 4.5852 4.5852 4.6217 4.6217 4.8905 4.8905 5.3336 5.3336 5.3728 5.3728 5.5564 5.5564 5.7899 5.7899 5.8672 5.8672 5.9923 5.9923 6.0086 6.0086 6.2015 6.2015 8.6840 8.6840 8.7887 8.7887 8.8863 8.8863 9.0069 9.0069 9.2541 9.2541 9.4073 9.4073 9.6251 9.6251 9.7018 9.7018 9.7845 9.7845 10.0429 10.0429 15.3443 15.3443 15.5209 15.5209 16.3700 16.3700 17.4070 17.4070 17.4948 17.4948 17.9408 17.9408 k = 0.4062 0.2345 0.5103 ( 4800 PWs) bands (ev): -10.7078 -10.7078 -10.3938 -10.3938 -9.9806 -9.9806 -9.6125 -9.6125 -9.5813 -9.5813 -9.3366 -9.3366 -9.2928 -9.2928 -9.2755 -9.2755 1.7576 1.7576 1.8062 1.8062 2.2149 2.2149 2.3515 2.3515 2.9998 2.9998 3.0195 3.0195 3.0479 3.0479 3.1311 3.1311 3.6729 3.6729 3.8763 3.8763 3.9362 3.9362 3.9852 3.9852 4.2557 4.2557 4.5842 4.5842 4.6188 4.6188 4.8793 4.8793 5.3474 5.3474 5.3829 5.3829 5.5379 5.5379 5.7591 5.7591 5.8549 5.8549 5.9937 5.9937 6.0057 6.0057 6.2036 6.2036 8.6808 8.6808 8.7804 8.7804 8.8969 8.8969 9.0089 9.0089 9.2555 9.2555 9.4104 9.4104 9.6274 9.6274 9.6941 9.6941 9.7651 9.7651 10.0375 10.0375 15.4026 15.4026 15.5846 15.5846 16.2982 16.2982 17.4216 17.4216 17.5196 17.5196 17.9780 17.9780 k = 0.4010 0.2315 0.5273 ( 4785 PWs) bands (ev): -10.6901 -10.6901 -10.3984 -10.3984 -9.9921 -9.9921 -9.6194 -9.6194 -9.5875 -9.5875 -9.3397 -9.3397 -9.2858 -9.2858 -9.2720 -9.2720 1.7696 1.7696 1.8135 1.8135 2.2339 2.2339 2.3809 2.3809 3.0078 3.0078 3.0276 3.0276 3.0636 3.0636 3.1558 3.1558 3.6535 3.6535 3.8503 3.8503 3.8980 3.8980 3.9735 3.9735 4.2502 4.2502 4.5842 4.5842 4.6152 4.6152 4.8680 4.8680 5.3585 5.3585 5.3898 5.3898 5.5205 5.5205 5.7301 5.7301 5.8449 5.8449 5.9963 5.9963 6.0032 6.0032 6.2055 6.2055 8.6781 8.6781 8.7726 8.7726 8.9077 8.9077 9.0109 9.0109 9.2560 9.2560 9.4115 9.4115 9.6314 9.6314 9.6864 9.6864 9.7488 9.7488 10.0320 10.0320 15.4607 15.4607 15.6488 15.6488 16.2244 16.2244 17.4353 17.4353 17.5424 17.5424 18.0129 18.0129 k = 0.3958 0.2285 0.5443 ( 4788 PWs) bands (ev): -10.6722 -10.6722 -10.4053 -10.4053 -10.0003 -10.0003 -9.6259 -9.6259 -9.5934 -9.5934 -9.3444 -9.3444 -9.2791 -9.2791 -9.2678 -9.2678 1.7812 1.7812 1.8195 1.8195 2.2521 2.2521 2.4077 2.4077 2.9964 2.9964 3.0551 3.0551 3.0768 3.0768 3.1792 3.1792 3.6429 3.6429 3.8234 3.8234 3.8592 3.8592 3.9633 3.9633 4.2463 4.2463 4.5849 4.5849 4.6106 4.6106 4.8567 4.8567 5.3670 5.3670 5.3935 5.3935 5.5040 5.5040 5.7036 5.7036 5.8375 5.8375 5.9979 5.9979 6.0031 6.0031 6.2071 6.2071 8.6758 8.6758 8.7654 8.7654 8.9183 8.9183 9.0129 9.0129 9.2556 9.2556 9.4103 9.4103 9.6357 9.6357 9.6800 9.6800 9.7359 9.7359 10.0265 10.0265 15.5180 15.5180 15.7125 15.7125 16.1496 16.1496 17.4478 17.4478 17.5628 17.5628 18.0462 18.0462 k = 0.3906 0.2255 0.5613 ( 4780 PWs) bands (ev): -10.6547 -10.6547 -10.4145 -10.4145 -10.0051 -10.0051 -9.6322 -9.6322 -9.5988 -9.5988 -9.3506 -9.3506 -9.2726 -9.2726 -9.2631 -9.2631 1.7921 1.7921 1.8238 1.8238 2.2691 2.2691 2.4308 2.4308 2.9877 2.9877 3.0819 3.0819 3.0847 3.0847 3.2005 3.2005 3.6432 3.6432 3.7956 3.7956 3.8210 3.8210 3.9542 3.9542 4.2442 4.2442 4.5862 4.5862 4.6049 4.6049 4.8454 4.8454 5.3729 5.3729 5.3937 5.3937 5.4885 5.4885 5.6802 5.6802 5.8332 5.8332 5.9963 5.9963 6.0078 6.0078 6.2084 6.2084 8.6738 8.6738 8.7590 8.7590 8.9286 8.9286 9.0151 9.0151 9.2546 9.2546 9.4066 9.4066 9.6379 9.6379 9.6773 9.6773 9.7264 9.7264 10.0210 10.0210 15.5739 15.5739 15.7732 15.7732 16.0761 16.0761 17.4587 17.4587 17.5802 17.5802 18.0772 18.0772 k = 0.3854 0.2225 0.5784 ( 4780 PWs) bands (ev): -10.6380 -10.6380 -10.4252 -10.4252 -10.0065 -10.0065 -9.6382 -9.6382 -9.6038 -9.6038 -9.3579 -9.3579 -9.2664 -9.2664 -9.2583 -9.2583 1.8021 1.8021 1.8264 1.8264 2.2846 2.2846 2.4489 2.4489 2.9830 2.9830 3.0843 3.0843 3.1071 3.1071 3.2212 3.2212 3.6553 3.6553 3.7673 3.7673 3.7846 3.7846 3.9464 3.9464 4.2442 4.2442 4.5879 4.5879 4.5981 4.5981 4.8344 4.8344 5.3767 5.3767 5.3907 5.3907 5.4736 5.4736 5.6604 5.6604 5.8321 5.8321 5.9941 5.9941 6.0142 6.0142 6.2092 6.2092 8.6722 8.6722 8.7533 8.7533 8.9383 8.9383 9.0175 9.0175 9.2533 9.2533 9.4006 9.4006 9.6366 9.6366 9.6799 9.6799 9.7205 9.7205 10.0156 10.0156 15.6273 15.6273 15.8233 15.8233 16.0123 16.0123 17.4678 17.4678 17.5944 17.5944 18.1041 18.1041 k = 0.3802 0.2195 0.5954 ( 4778 PWs) bands (ev): -10.6232 -10.6232 -10.4362 -10.4362 -10.0047 -10.0047 -9.6439 -9.6439 -9.6084 -9.6084 -9.3662 -9.3662 -9.2605 -9.2605 -9.2534 -9.2534 1.8110 1.8110 1.8274 1.8274 2.2984 2.2984 2.4610 2.4610 2.9825 2.9825 3.0746 3.0746 3.1299 3.1299 3.2430 3.2430 3.6778 3.6778 3.7396 3.7396 3.7513 3.7513 3.9398 3.9398 4.2465 4.2465 4.5896 4.5896 4.5905 4.5905 4.8235 4.8235 5.3790 5.3790 5.3845 5.3845 5.4592 5.4592 5.6445 5.6445 5.8339 5.8339 5.9919 5.9919 6.0216 6.0216 6.2097 6.2097 8.6709 8.6709 8.7486 8.7486 8.9472 8.9472 9.0203 9.0203 9.2521 9.2521 9.3923 9.3923 9.6333 9.6333 9.6847 9.6847 9.7191 9.7191 10.0102 10.0102 15.6754 15.6754 15.8347 15.8347 15.9886 15.9886 17.4747 17.4747 17.6052 17.6052 18.1226 18.1226 k = 0.3750 0.2165 0.6124 ( 4782 PWs) bands (ev): -10.6121 -10.6121 -10.4456 -10.4456 -9.9999 -9.9999 -9.6492 -9.6492 -9.6125 -9.6125 -9.3753 -9.3753 -9.2548 -9.2548 -9.2485 -9.2485 1.8176 1.8176 1.8275 1.8275 2.3099 2.3099 2.4666 2.4666 2.9841 2.9841 3.0588 3.0588 3.1487 3.1487 3.2664 3.2664 3.6972 3.6972 3.7217 3.7217 3.7261 3.7261 3.9347 3.9347 4.2513 4.2513 4.5811 4.5811 4.5923 4.5923 4.8130 4.8130 5.3756 5.3756 5.3807 5.3807 5.4451 5.4451 5.6324 5.6324 5.8383 5.8383 5.9901 5.9901 6.0297 6.0297 6.2097 6.2097 8.6698 8.6698 8.7449 8.7449 8.9549 8.9549 9.0235 9.0235 9.2512 9.2512 9.3822 9.3822 9.6303 9.6303 9.6875 9.6875 9.7238 9.7238 10.0051 10.0051 15.7027 15.7027 15.8047 15.8047 16.0227 16.0227 17.4793 17.4793 17.6122 17.6122 18.1283 18.1283 k = 0.6250-0.0722 0.4082 ( 4782 PWs) bands (ev): -10.6121 -10.6121 -10.4456 -10.4456 -9.9998 -9.9998 -9.6493 -9.6493 -9.6124 -9.6124 -9.3753 -9.3753 -9.2549 -9.2549 -9.2484 -9.2484 1.8176 1.8176 1.8275 1.8275 2.3100 2.3100 2.4666 2.4666 2.9841 2.9841 3.0587 3.0587 3.1487 3.1487 3.2664 3.2664 3.6972 3.6972 3.7217 3.7217 3.7261 3.7261 3.9347 3.9347 4.2513 4.2513 4.5811 4.5811 4.5922 4.5922 4.8130 4.8130 5.3756 5.3756 5.3806 5.3806 5.4451 5.4451 5.6325 5.6325 5.8383 5.8383 5.9901 5.9901 6.0297 6.0297 6.2098 6.2098 8.6698 8.6698 8.7449 8.7449 8.9549 8.9549 9.0235 9.0235 9.2512 9.2512 9.3822 9.3822 9.6303 9.6303 9.6875 9.6875 9.7238 9.7238 10.0050 10.0050 15.7027 15.7027 15.8047 15.8047 16.0227 16.0227 17.4793 17.4793 17.6122 17.6122 18.1283 18.1283 k = 0.6161-0.0876 0.4082 ( 4770 PWs) bands (ev): -10.5984 -10.5984 -10.4584 -10.4584 -9.9881 -9.9881 -9.6580 -9.6580 -9.6189 -9.6189 -9.3921 -9.3921 -9.2456 -9.2456 -9.2403 -9.2403 1.8235 1.8235 1.8293 1.8293 2.3271 2.3271 2.4692 2.4692 2.9821 2.9821 3.0322 3.0322 3.1764 3.1764 3.3090 3.3090 3.6780 3.6780 3.6947 3.6947 3.7483 3.7483 3.9275 3.9275 4.2623 4.2623 4.5647 4.5647 4.5960 4.5960 4.7951 4.7951 5.3585 5.3585 5.3830 5.3830 5.4207 5.4207 5.6142 5.6142 5.8488 5.8488 5.9873 5.9873 6.0448 6.0448 6.2095 6.2095 8.6685 8.6685 8.7396 8.7396 8.9670 8.9670 9.0294 9.0294 9.2504 9.2504 9.3644 9.3644 9.6257 9.6257 9.6858 9.6858 9.7417 9.7417 9.9965 9.9965 15.6948 15.6948 15.7688 15.7688 16.1164 16.1164 17.4837 17.4837 17.6193 17.6193 18.1189 18.1189 k = 0.6071-0.1031 0.4082 ( 4786 PWs) bands (ev): -10.5867 -10.5867 -10.4704 -10.4704 -9.9739 -9.9739 -9.6661 -9.6661 -9.6251 -9.6251 -9.4099 -9.4099 -9.2369 -9.2369 -9.2325 -9.2325 1.8271 1.8271 1.8314 1.8314 2.3428 2.3428 2.4696 2.4696 2.9757 2.9757 3.0080 3.0080 3.2034 3.2034 3.3534 3.3534 3.6381 3.6381 3.6940 3.6940 3.7719 3.7719 3.9207 3.9207 4.2746 4.2746 4.5481 4.5481 4.5992 4.5992 4.7774 4.7774 5.3411 5.3411 5.3841 5.3841 5.3968 5.3968 5.5945 5.5945 5.8606 5.8606 5.9845 5.9845 6.0614 6.0614 6.2092 6.2092 8.6677 8.6677 8.7345 8.7345 8.9784 8.9784 9.0350 9.0350 9.2499 9.2499 9.3477 9.3477 9.6210 9.6210 9.6804 9.6804 9.7632 9.7632 9.9883 9.9883 15.6771 15.6771 15.7339 15.7339 16.2203 16.2203 17.4855 17.4855 17.6229 17.6229 18.1025 18.1025 k = 0.5982-0.1186 0.4082 ( 4802 PWs) bands (ev): -10.5767 -10.5767 -10.4815 -10.4815 -9.9575 -9.9575 -9.6736 -9.6736 -9.6309 -9.6309 -9.4285 -9.4285 -9.2287 -9.2287 -9.2252 -9.2252 1.8287 1.8287 1.8337 1.8337 2.3570 2.3570 2.4682 2.4682 2.9664 2.9664 2.9863 2.9863 3.2297 3.2297 3.3987 3.3987 3.6007 3.6007 3.6965 3.6965 3.7953 3.7953 3.9144 3.9144 4.2879 4.2879 4.5314 4.5314 4.6020 4.6020 4.7598 4.7598 5.3238 5.3238 5.3682 5.3682 5.3900 5.3900 5.5736 5.5736 5.8732 5.8732 5.9817 5.9817 6.0789 6.0789 6.2090 6.2090 8.6675 8.6675 8.7298 8.7298 8.9894 8.9894 9.0403 9.0403 9.2499 9.2499 9.3325 9.3325 9.6166 9.6166 9.6738 9.6738 9.7855 9.7855 9.9805 9.9805 15.6554 15.6554 15.7002 15.7002 16.3288 16.3288 17.4851 17.4851 17.6234 17.6234 18.0833 18.0833 k = 0.5893-0.1340 0.4082 ( 4794 PWs) bands (ev): -10.5684 -10.5684 -10.4917 -10.4917 -9.9390 -9.9390 -9.6805 -9.6805 -9.6364 -9.6364 -9.4482 -9.4482 -9.2211 -9.2211 -9.2183 -9.2183 1.8296 1.8296 1.8354 1.8354 2.3698 2.3698 2.4654 2.4654 2.9556 2.9556 2.9669 2.9669 3.2549 3.2549 3.4440 3.4440 3.5662 3.5662 3.7014 3.7014 3.8176 3.8176 3.9085 3.9085 4.3021 4.3021 4.5150 4.5150 4.6043 4.6043 4.7423 4.7423 5.3066 5.3066 5.3439 5.3439 5.3920 5.3920 5.5521 5.5521 5.8861 5.8861 5.9791 5.9791 6.0968 6.0968 6.2088 6.2088 8.6678 8.6678 8.7254 8.7254 8.9996 8.9996 9.0453 9.0453 9.2504 9.2504 9.3187 9.3187 9.6124 9.6124 9.6669 9.6669 9.8076 9.8076 9.9731 9.9731 15.6326 15.6326 15.6681 15.6681 16.4392 16.4392 17.4829 17.4829 17.6214 17.6214 18.0621 18.0621 k = 0.5804-0.1495 0.4082 ( 4786 PWs) bands (ev): -10.5617 -10.5617 -10.5010 -10.5010 -9.9186 -9.9186 -9.6869 -9.6869 -9.6414 -9.6414 -9.4687 -9.4687 -9.2142 -9.2142 -9.2119 -9.2119 1.8301 1.8301 1.8363 1.8363 2.3812 2.3812 2.4613 2.4613 2.9440 2.9440 2.9500 2.9500 3.2790 3.2790 3.4886 3.4886 3.5348 3.5348 3.7081 3.7081 3.8380 3.8380 3.9032 3.9032 4.3171 4.3171 4.4993 4.4993 4.6062 4.6062 4.7249 4.7249 5.2898 5.2898 5.3201 5.3201 5.3944 5.3944 5.5303 5.5303 5.8988 5.8988 5.9765 5.9765 6.1145 6.1145 6.2086 6.2086 8.6687 8.6687 8.7213 8.7213 9.0091 9.0091 9.0499 9.0499 9.2513 9.2513 9.3066 9.3066 9.6088 9.6088 9.6597 9.6597 9.8288 9.8288 9.9662 9.9662 15.6099 15.6099 15.6380 15.6380 16.5504 16.5504 17.4793 17.4793 17.6173 17.6173 18.0383 18.0383 k = 0.5714-0.1650 0.4082 ( 4784 PWs) bands (ev): -10.5562 -10.5562 -10.5093 -10.5093 -9.8967 -9.8967 -9.6926 -9.6926 -9.6460 -9.6460 -9.4900 -9.4900 -9.2079 -9.2079 -9.2061 -9.2061 1.8303 1.8303 1.8364 1.8364 2.3913 2.3913 2.4565 2.4565 2.9322 2.9322 2.9355 2.9355 3.3017 3.3017 3.5064 3.5064 3.5323 3.5323 3.7160 3.7160 3.8558 3.8558 3.8983 3.8983 4.3326 4.3326 4.4847 4.4847 4.6075 4.6075 4.7077 4.7077 5.2738 5.2738 5.2975 5.2975 5.3968 5.3968 5.5089 5.5089 5.9110 5.9110 5.9741 5.9741 6.1318 6.1318 6.2084 6.2084 8.6699 8.6699 8.7173 8.7173 9.0177 9.0177 9.0540 9.0540 9.2526 9.2526 9.2960 9.2960 9.6056 9.6056 9.6525 9.6525 9.8488 9.8488 9.9598 9.9598 15.5882 15.5882 15.6100 15.6100 16.6617 16.6617 17.4747 17.4747 17.6117 17.6117 18.0110 18.0110 k = 0.5625-0.1804 0.4082 ( 4788 PWs) bands (ev): -10.5519 -10.5519 -10.5168 -10.5168 -9.8735 -9.8735 -9.6976 -9.6976 -9.6501 -9.6501 -9.5122 -9.5122 -9.2023 -9.2023 -9.2009 -9.2009 1.8304 1.8304 1.8360 1.8360 2.4000 2.4000 2.4513 2.4513 2.9206 2.9206 2.9234 2.9234 3.3226 3.3226 3.4813 3.4813 3.5743 3.5743 3.7245 3.7245 3.8703 3.8703 3.8940 3.8940 4.3484 4.3484 4.4713 4.4713 4.6085 4.6085 4.6906 4.6906 5.2587 5.2587 5.2767 5.2767 5.3990 5.3990 5.4882 5.4882 5.9224 5.9224 5.9719 5.9719 6.1479 6.1479 6.2082 6.2082 8.6715 8.6715 8.7134 8.7134 9.0255 9.0255 9.0574 9.0574 9.2540 9.2540 9.2869 9.2869 9.6029 9.6029 9.6454 9.6454 9.8671 9.8671 9.9541 9.9541 15.5681 15.5681 15.5846 15.5846 16.7725 16.7725 17.4695 17.4695 17.6053 17.6053 17.9787 17.9787 k = 0.5536-0.1959 0.4082 ( 4788 PWs) bands (ev): -10.5486 -10.5486 -10.5232 -10.5232 -9.8493 -9.8493 -9.7021 -9.7021 -9.6537 -9.6537 -9.5351 -9.5351 -9.1974 -9.1974 -9.1963 -9.1963 1.8305 1.8305 1.8352 1.8352 2.4074 2.4074 2.4460 2.4460 2.9102 2.9102 2.9130 2.9130 3.3415 3.3415 3.4594 3.4594 3.6142 3.6142 3.7332 3.7332 3.8810 3.8810 3.8902 3.8902 4.3643 4.3643 4.4596 4.4596 4.6091 4.6091 4.6740 4.6740 5.2449 5.2449 5.2580 5.2580 5.4011 5.4011 5.4689 5.4689 5.9327 5.9327 5.9698 5.9698 6.1628 6.1628 6.2081 6.2081 8.6734 8.6734 8.7097 8.7097 9.0325 9.0325 9.0601 9.0601 9.2556 9.2556 9.2796 9.2796 9.6009 9.6009 9.6384 9.6384 9.8837 9.8837 9.9490 9.9490 15.5498 15.5498 15.5620 15.5620 16.8824 16.8824 17.4640 17.4640 17.5984 17.5984 17.9395 17.9395 k = 0.5446-0.2114 0.4082 ( 4794 PWs) bands (ev): -10.5461 -10.5461 -10.5287 -10.5287 -9.8243 -9.8243 -9.7058 -9.7058 -9.6568 -9.6568 -9.5586 -9.5586 -9.1932 -9.1932 -9.1924 -9.1924 1.8305 1.8305 1.8342 1.8342 2.4136 2.4136 2.4409 2.4409 2.9014 2.9014 2.9040 2.9040 3.3581 3.3581 3.4408 3.4408 3.6517 3.6517 3.7416 3.7416 3.8862 3.8862 3.8884 3.8884 4.3799 4.3799 4.4497 4.4497 4.6094 4.6094 4.6580 4.6580 5.2327 5.2327 5.2416 5.2416 5.4029 5.4029 5.4514 5.4514 5.9417 5.9417 5.9681 5.9681 6.1759 6.1759 6.2080 6.2080 8.6756 8.6756 8.7060 8.7060 9.0387 9.0387 9.0620 9.0620 9.2572 9.2572 9.2737 9.2737 9.5997 9.5997 9.6318 9.6318 9.8981 9.8981 9.9445 9.9445 15.5339 15.5339 15.5424 15.5424 16.9910 16.9910 17.4586 17.4586 17.5917 17.5917 17.8919 17.8919 k = 0.5357-0.2268 0.4082 ( 4796 PWs) bands (ev): -10.5442 -10.5442 -10.5332 -10.5332 -9.7988 -9.7988 -9.7089 -9.7089 -9.6594 -9.6594 -9.5826 -9.5826 -9.1898 -9.1898 -9.1891 -9.1891 1.8304 1.8304 1.8332 1.8332 2.4187 2.4187 2.4364 2.4364 2.8943 2.8943 2.8964 2.8964 3.3722 3.3722 3.4255 3.4255 3.6860 3.6860 3.7490 3.7490 3.8840 3.8840 3.8905 3.8905 4.3946 4.3946 4.4418 4.4418 4.6095 4.6095 4.6430 4.6430 5.2222 5.2222 5.2279 5.2279 5.4044 5.4044 5.4363 5.4363 5.9494 5.9494 5.9666 5.9666 6.1870 6.1870 6.2079 6.2079 8.6780 8.6780 8.7025 8.7025 9.0442 9.0442 9.0631 9.0631 9.2587 9.2587 9.2691 9.2691 9.5992 9.5992 9.6255 9.6255 9.9102 9.9102 9.9408 9.9408 15.5205 15.5205 15.5261 15.5261 17.0976 17.0976 17.4537 17.4537 17.5855 17.5855 17.8348 17.8348 k = 0.5268-0.2423 0.4082 ( 4790 PWs) bands (ev): -10.5428 -10.5428 -10.5367 -10.5367 -9.7733 -9.7733 -9.7113 -9.7113 -9.6614 -9.6614 -9.6069 -9.6069 -9.1870 -9.1870 -9.1866 -9.1866 1.8304 1.8304 1.8322 1.8322 2.4225 2.4225 2.4326 2.4326 2.8888 2.8888 2.8904 2.8904 3.3834 3.3834 3.4136 3.4136 3.7162 3.7162 3.7553 3.7553 3.8820 3.8820 3.8894 3.8894 4.4078 4.4078 4.4358 4.4358 4.6094 4.6094 4.6297 4.6297 5.2139 5.2139 5.2170 5.2170 5.4056 5.4056 5.4239 5.4239 5.9555 5.9555 5.9654 5.9654 6.1959 6.1959 6.2079 6.2079 8.6806 8.6806 8.6990 8.6990 9.0490 9.0490 9.0633 9.0633 9.2599 9.2599 9.2659 9.2659 9.5997 9.5997 9.6197 9.6197 9.9198 9.9198 9.9379 9.9379 15.5099 15.5099 15.5132 15.5132 17.2017 17.2017 17.4496 17.4496 17.5803 17.5803 17.7686 17.7686 k = 0.5179-0.2577 0.4082 ( 4798 PWs) bands (ev): -10.5419 -10.5419 -10.5393 -10.5393 -9.7483 -9.7483 -9.7130 -9.7130 -9.6629 -9.6629 -9.6309 -9.6309 -9.1851 -9.1851 -9.1848 -9.1848 1.8304 1.8304 1.8314 1.8314 2.4253 2.4253 2.4298 2.4298 2.8850 2.8850 2.8860 2.8860 3.3916 3.3916 3.4050 3.4050 3.7408 3.7408 3.7600 3.7600 3.8805 3.8805 3.8856 3.8856 4.4186 4.4186 4.4317 4.4317 4.6094 4.6094 4.6189 4.6189 5.2077 5.2077 5.2091 5.2091 5.4065 5.4065 5.4148 5.4148 5.9599 5.9599 5.9645 5.9645 6.2024 6.2024 6.2078 6.2078 8.6834 8.6834 8.6957 8.6957 9.0531 9.0531 9.0627 9.0627 9.2609 9.2609 9.2637 9.2637 9.6009 9.6009 9.6144 9.6144 9.9268 9.9268 9.9358 9.9358 15.5022 15.5022 15.5039 15.5039 17.3014 17.3014 17.4464 17.4464 17.5763 17.5763 17.6951 17.6951 k = 0.5089-0.2732 0.4082 ( 4800 PWs) bands (ev): -10.5414 -10.5414 -10.5408 -10.5408 -9.7259 -9.7259 -9.7141 -9.7141 -9.6637 -9.6637 -9.6527 -9.6527 -9.1839 -9.1839 -9.1837 -9.1837 1.8304 1.8304 1.8309 1.8309 2.4269 2.4269 2.4280 2.4280 2.8828 2.8828 2.8832 2.8832 3.3965 3.3965 3.3999 3.3999 3.7577 3.7577 3.7629 3.7629 3.8796 3.8796 3.8813 3.8813 4.4257 4.4257 4.4293 4.4293 4.6093 4.6093 4.6118 4.6118 5.2040 5.2040 5.2043 5.2043 5.4070 5.4070 5.4092 5.4092 5.9626 5.9626 5.9640 5.9640 6.2063 6.2063 6.2078 6.2078 8.6863 8.6863 8.6924 8.6924 9.0565 9.0565 9.0614 9.0614 9.2615 9.2615 9.2625 9.2625 9.6030 9.6030 9.6098 9.6098 9.9312 9.9312 9.9343 9.9343 15.4976 15.4976 15.4982 15.4982 17.3922 17.3922 17.4445 17.4445 17.5739 17.5739 17.6196 17.6196 k = 0.5000-0.2887 0.4082 ( 4800 PWs) bands (ev): -10.5413 -10.5413 -10.5412 -10.5412 -9.7144 -9.7144 -9.7143 -9.7143 -9.6641 -9.6641 -9.6640 -9.6640 -9.1835 -9.1835 -9.1834 -9.1834 1.8306 1.8306 1.8306 1.8306 2.4274 2.4274 2.4274 2.4274 2.8822 2.8822 2.8822 2.8822 3.3982 3.3982 3.3982 3.3982 3.7639 3.7639 3.7639 3.7639 3.8793 3.8793 3.8794 3.8794 4.4283 4.4283 4.4284 4.4284 4.6092 4.6092 4.6093 4.6093 5.2027 5.2027 5.2027 5.2027 5.4072 5.4072 5.4073 5.4073 5.9636 5.9636 5.9637 5.9637 6.2077 6.2077 6.2078 6.2078 8.6893 8.6893 8.6893 8.6893 9.0593 9.0593 9.0593 9.0593 9.2619 9.2619 9.2619 9.2619 9.6060 9.6060 9.6060 9.6060 9.9332 9.9332 9.9332 9.9332 15.4962 15.4962 15.4962 15.4962 17.4438 17.4438 17.4438 17.4438 17.5731 17.5731 17.5731 17.5731 Writing output data file Al2NiO4.save init_run : 0.32s CPU 0.50s WALL ( 1 calls) electrons : 404.85s CPU 409.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 404.84s CPU 409.90s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.11s WALL ( 264 calls) cegterg : 375.42s CPU 379.69s WALL ( 445 calls) Called by sum_band: Called by *egterg: h_psi : 184.18s CPU 186.63s WALL ( 6544 calls) s_psi : 18.98s CPU 18.83s WALL ( 6544 calls) g_psi : 0.47s CPU 0.42s WALL ( 5835 calls) cdiaghg : 156.34s CPU 158.14s WALL ( 6099 calls) cegterg:over : 16.27s CPU 16.34s WALL ( 5835 calls) cegterg:upda : 12.70s CPU 12.93s WALL ( 5835 calls) cegterg:last : 6.42s CPU 6.48s WALL ( 973 calls) cdiaghg:chol : 9.74s CPU 9.73s WALL ( 6099 calls) cdiaghg:inve : 6.94s CPU 7.16s WALL ( 6099 calls) cdiaghg:para : 13.21s CPU 13.27s WALL ( 12198 calls) Called by h_psi: h_psi:vloc : 141.62s CPU 143.93s WALL ( 6544 calls) h_psi:vnl : 42.07s CPU 42.16s WALL ( 6544 calls) add_vuspsi : 22.01s CPU 22.13s WALL ( 6544 calls) General routines calbec : 20.02s CPU 20.01s WALL ( 6544 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 131.89s CPU 134.03s WALL ( 1265844 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 0.33s WALL ( 528 calls) Parallel routines fft_scatter : 47.54s CPU 48.18s WALL ( 1265867 calls) PWSCF : 7m 9.07s CPU 7m27.72s WALL This run was terminated on: 18:37:40 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=