Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:30:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2ZnO4.save/ file Zn.rel-pbe-dn-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 70 41 11 2340 1029 158 Max 71 42 12 2345 1043 162 Sum 2527 1483 421 84283 37309 5769 bravais-lattice index = 14 lattice parameter (alat) = 10.6503 a.u. unit-cell volume = 854.2244 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 3 number of electrons = 84.00 number of Kohn-Sham states= 100 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)= 10.650312 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 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 PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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) Al 3.00 26.98150 Al( 1.00) Zn 12.00 65.40900 Zn( 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 =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 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 =( 1.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 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 =( -0.2500000 ) ( 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 =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 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 =( 0.7500000 ) ( 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= 267 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 2) = ( 0.0125000 -0.0072169 0.0102062), wk = 0.0037453 k( 3) = ( 0.0250000 -0.0144338 0.0204124), wk = 0.0037453 k( 4) = ( 0.0375000 -0.0216506 0.0306186), wk = 0.0037453 k( 5) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0037453 k( 6) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0037453 k( 7) = ( 0.0750000 -0.0433013 0.0612372), wk = 0.0037453 k( 8) = ( 0.0875000 -0.0505181 0.0714435), wk = 0.0037453 k( 9) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0037453 k( 10) = ( 0.1125000 -0.0649519 0.0918559), wk = 0.0037453 k( 11) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0037453 k( 12) = ( 0.1375000 -0.0793857 0.1122683), wk = 0.0037453 k( 13) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0037453 k( 14) = ( 0.1625000 -0.0938194 0.1326807), wk = 0.0037453 k( 15) = ( 0.1750000 -0.1010363 0.1428869), wk = 0.0037453 k( 16) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0037453 k( 17) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0037453 k( 18) = ( 0.2125000 -0.1226869 0.1735055), wk = 0.0037453 k( 19) = ( 0.2250000 -0.1299038 0.1837117), wk = 0.0037453 k( 20) = ( 0.2375000 -0.1371207 0.1939179), wk = 0.0037453 k( 21) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0037453 k( 22) = ( 0.2625000 -0.1515544 0.2143304), wk = 0.0037453 k( 23) = ( 0.2750000 -0.1587713 0.2245366), wk = 0.0037453 k( 24) = ( 0.2875000 -0.1659882 0.2347428), wk = 0.0037453 k( 25) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0037453 k( 26) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0037453 k( 27) = ( 0.3250000 -0.1876388 0.2653614), wk = 0.0037453 k( 28) = ( 0.3375000 -0.1948557 0.2755676), wk = 0.0037453 k( 29) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0037453 k( 30) = ( 0.3625000 -0.2092895 0.2959800), wk = 0.0037453 k( 31) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0037453 k( 32) = ( 0.3875000 -0.2237232 0.3163924), wk = 0.0037453 k( 33) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0037453 k( 34) = ( 0.4125000 -0.2381570 0.3368048), wk = 0.0037453 k( 35) = ( 0.4250000 -0.2453739 0.3470110), wk = 0.0037453 k( 36) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0037453 k( 37) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0037453 k( 38) = ( 0.4625000 -0.2670245 0.3776297), wk = 0.0037453 k( 39) = ( 0.4750000 -0.2742414 0.3878359), wk = 0.0037453 k( 40) = ( 0.4875000 -0.2814583 0.3980421), wk = 0.0037453 k( 41) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0037453 k( 42) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0037453 k( 43) = ( 0.5000000 -0.2742414 0.4184545), wk = 0.0037453 k( 44) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0037453 k( 45) = ( 0.5000000 -0.2453739 0.4388669), wk = 0.0037453 k( 46) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0037453 k( 47) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0037453 k( 48) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0037453 k( 49) = ( 0.5000000 -0.1876388 0.4796917), wk = 0.0037453 k( 50) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0037453 k( 51) = ( 0.5000000 -0.1587713 0.5001042), wk = 0.0037453 k( 52) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0037453 k( 53) = ( 0.5000000 -0.1299038 0.5205166), wk = 0.0037453 k( 54) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0037453 k( 55) = ( 0.5000000 -0.1010363 0.5409290), wk = 0.0037453 k( 56) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0037453 k( 57) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0037453 k( 58) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0037453 k( 59) = ( 0.5000000 -0.0433013 0.5817538), wk = 0.0037453 k( 60) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0037453 k( 61) = ( 0.5000000 -0.0144338 0.6021662), wk = 0.0037453 k( 62) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0037453 k( 63) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0037453 k( 64) = ( 0.4910714 0.0154647 0.6123724), wk = 0.0037453 k( 65) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0037453 k( 66) = ( 0.4732143 0.0463942 0.6123724), wk = 0.0037453 k( 67) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0037453 k( 68) = ( 0.4553571 0.0773237 0.6123724), wk = 0.0037453 k( 69) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0037453 k( 70) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0037453 k( 71) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0037453 k( 72) = ( 0.4196429 0.1391826 0.6123724), wk = 0.0037453 k( 73) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0037453 k( 74) = ( 0.4017857 0.1701121 0.6123724), wk = 0.0037453 k( 75) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0037453 k( 76) = ( 0.3839286 0.2010416 0.6123724), wk = 0.0037453 k( 77) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0037453 k( 78) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0037453 k( 79) = ( 0.3660714 0.2113514 0.5977921), wk = 0.0037453 k( 80) = ( 0.3571429 0.2061965 0.5832118), wk = 0.0037453 k( 81) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0037453 k( 82) = ( 0.3392857 0.1958867 0.5540513), wk = 0.0037453 k( 83) = ( 0.3303571 0.1907318 0.5394710), wk = 0.0037453 k( 84) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0037453 k( 85) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0037453 k( 86) = ( 0.3035714 0.1752670 0.4957301), wk = 0.0037453 k( 87) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0037453 k( 88) = ( 0.2857143 0.1649572 0.4665695), wk = 0.0037453 k( 89) = ( 0.2767857 0.1598023 0.4519892), wk = 0.0037453 k( 90) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0037453 k( 91) = ( 0.2589286 0.1494925 0.4228286), wk = 0.0037453 k( 92) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0037453 k( 93) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0037453 k( 94) = ( 0.2321429 0.1340277 0.3790877), wk = 0.0037453 k( 95) = ( 0.2232143 0.1288728 0.3645074), wk = 0.0037453 k( 96) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0037453 k( 97) = ( 0.2053571 0.1185630 0.3353468), wk = 0.0037453 k( 98) = ( 0.1964286 0.1134081 0.3207665), wk = 0.0037453 k( 99) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0037453 k( 100) = ( 0.1785714 0.1030983 0.2916059), wk = 0.0037453 k( 101) = ( 0.1696429 0.0979434 0.2770256), wk = 0.0037453 k( 102) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0037453 k( 103) = ( 0.1517857 0.0876335 0.2478650), wk = 0.0037453 k( 104) = ( 0.1428571 0.0824786 0.2332847), wk = 0.0037453 k( 105) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0037453 k( 106) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0037453 k( 107) = ( 0.1160714 0.0670139 0.1895439), wk = 0.0037453 k( 108) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0037453 k( 109) = ( 0.0982143 0.0567040 0.1603833), wk = 0.0037453 k( 110) = ( 0.0892857 0.0515491 0.1458030), wk = 0.0037453 k( 111) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0037453 k( 112) = ( 0.0714286 0.0412393 0.1166424), wk = 0.0037453 k( 113) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0037453 k( 114) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0037453 k( 115) = ( 0.0446429 0.0257746 0.0729015), wk = 0.0037453 k( 116) = ( 0.0357143 0.0206197 0.0583212), wk = 0.0037453 k( 117) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0037453 k( 118) = ( 0.0178571 0.0103098 0.0291606), wk = 0.0037453 k( 119) = ( 0.0089286 0.0051549 0.0145803), wk = 0.0037453 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 122) = ( 0.0142857 0.0082479 0.0058321), wk = 0.0037453 k( 123) = ( 0.0285714 0.0164957 0.0116642), wk = 0.0037453 k( 124) = ( 0.0428571 0.0247436 0.0174964), wk = 0.0037453 k( 125) = ( 0.0571429 0.0329914 0.0233285), wk = 0.0037453 k( 126) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0037453 k( 127) = ( 0.0857143 0.0494872 0.0349927), wk = 0.0037453 k( 128) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0037453 k( 129) = ( 0.1142857 0.0659829 0.0466569), wk = 0.0037453 k( 130) = ( 0.1285714 0.0742307 0.0524891), wk = 0.0037453 k( 131) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0037453 k( 132) = ( 0.1571429 0.0907265 0.0641533), wk = 0.0037453 k( 133) = ( 0.1714286 0.0989743 0.0699854), wk = 0.0037453 k( 134) = ( 0.1857143 0.1072222 0.0758175), wk = 0.0037453 k( 135) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0037453 k( 136) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0037453 k( 137) = ( 0.2285714 0.1319658 0.0933139), wk = 0.0037453 k( 138) = ( 0.2428571 0.1402136 0.0991460), wk = 0.0037453 k( 139) = ( 0.2571429 0.1484615 0.1049781), wk = 0.0037453 k( 140) = ( 0.2714286 0.1567094 0.1108102), wk = 0.0037453 k( 141) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0037453 k( 142) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0037453 k( 143) = ( 0.3142857 0.1814529 0.1283066), wk = 0.0037453 k( 144) = ( 0.3285714 0.1897008 0.1341387), wk = 0.0037453 k( 145) = ( 0.3428571 0.1979487 0.1399708), wk = 0.0037453 k( 146) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0037453 k( 147) = ( 0.3714286 0.2144444 0.1516351), wk = 0.0037453 k( 148) = ( 0.3857143 0.2226922 0.1574672), wk = 0.0037453 k( 149) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0037453 k( 150) = ( 0.4142857 0.2391880 0.1691314), wk = 0.0037453 k( 151) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0037453 k( 152) = ( 0.4428571 0.2556837 0.1807957), wk = 0.0037453 k( 153) = ( 0.4571429 0.2639316 0.1866278), wk = 0.0037453 k( 154) = ( 0.4714286 0.2721794 0.1924599), wk = 0.0037453 k( 155) = ( 0.4857143 0.2804273 0.1982920), wk = 0.0037453 k( 156) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0037453 k( 157) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0037453 k( 158) = ( 0.5050000 0.2742414 0.2122891), wk = 0.0037453 k( 159) = ( 0.5100000 0.2598076 0.2204541), wk = 0.0037453 k( 160) = ( 0.5150000 0.2453739 0.2286190), wk = 0.0037453 k( 161) = ( 0.5200000 0.2309401 0.2367840), wk = 0.0037453 k( 162) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0037453 k( 163) = ( 0.5300000 0.2020726 0.2531139), wk = 0.0037453 k( 164) = ( 0.5350000 0.1876388 0.2612789), wk = 0.0037453 k( 165) = ( 0.5400000 0.1732051 0.2694439), wk = 0.0037453 k( 166) = ( 0.5450000 0.1587713 0.2776088), wk = 0.0037453 k( 167) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0037453 k( 168) = ( 0.5550000 0.1299038 0.2939388), wk = 0.0037453 k( 169) = ( 0.5600000 0.1154701 0.3021037), wk = 0.0037453 k( 170) = ( 0.5650000 0.1010363 0.3102687), wk = 0.0037453 k( 171) = ( 0.5700000 0.0866025 0.3184337), wk = 0.0037453 k( 172) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0037453 k( 173) = ( 0.5800000 0.0577350 0.3347636), wk = 0.0037453 k( 174) = ( 0.5850000 0.0433013 0.3429286), wk = 0.0037453 k( 175) = ( 0.5900000 0.0288675 0.3510935), wk = 0.0037453 k( 176) = ( 0.5950000 0.0144338 0.3592585), wk = 0.0037453 k( 177) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0037453 k( 178) = ( 0.6050000 -0.0144338 0.3755884), wk = 0.0037453 k( 179) = ( 0.6100000 -0.0288675 0.3837534), wk = 0.0037453 k( 180) = ( 0.6150000 -0.0433013 0.3919184), wk = 0.0037453 k( 181) = ( 0.6200000 -0.0577350 0.4000833), wk = 0.0037453 k( 182) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0037453 k( 183) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0037453 k( 184) = ( 0.6160714 -0.0670139 0.4228286), wk = 0.0037453 k( 185) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0037453 k( 186) = ( 0.5982143 -0.0567040 0.4519892), wk = 0.0037453 k( 187) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0037453 k( 188) = ( 0.5803571 -0.0463942 0.4811498), wk = 0.0037453 k( 189) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0037453 k( 190) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0037453 k( 191) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0037453 k( 192) = ( 0.5446429 -0.0257746 0.5394710), wk = 0.0037453 k( 193) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0037453 k( 194) = ( 0.5267857 -0.0154647 0.5686316), wk = 0.0037453 k( 195) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0037453 k( 196) = ( 0.5089286 -0.0051549 0.5977921), wk = 0.0037453 k( 197) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0037453 k( 198) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0037453 k( 199) = ( 0.5000000 0.0103098 0.5977921), wk = 0.0037453 k( 200) = ( 0.5000000 0.0206196 0.5832118), wk = 0.0037453 k( 201) = ( 0.5000000 0.0309295 0.5686316), wk = 0.0037453 k( 202) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0037453 k( 203) = ( 0.5000000 0.0515491 0.5394710), wk = 0.0037453 k( 204) = ( 0.5000000 0.0618590 0.5248907), wk = 0.0037453 k( 205) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0037453 k( 206) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0037453 k( 207) = ( 0.5000000 0.0927884 0.4811498), wk = 0.0037453 k( 208) = ( 0.5000000 0.1030983 0.4665695), wk = 0.0037453 k( 209) = ( 0.5000000 0.1134081 0.4519892), wk = 0.0037453 k( 210) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0037453 k( 211) = ( 0.5000000 0.1340277 0.4228286), wk = 0.0037453 k( 212) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0037453 k( 213) = ( 0.5000000 0.1546474 0.3936680), wk = 0.0037453 k( 214) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0037453 k( 215) = ( 0.5000000 0.1752670 0.3645074), wk = 0.0037453 k( 216) = ( 0.5000000 0.1855769 0.3499271), wk = 0.0037453 k( 217) = ( 0.5000000 0.1958867 0.3353468), wk = 0.0037453 k( 218) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0037453 k( 219) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0037453 k( 220) = ( 0.5000000 0.2268162 0.2916059), wk = 0.0037453 k( 221) = ( 0.5000000 0.2371260 0.2770256), wk = 0.0037453 k( 222) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0037453 k( 223) = ( 0.5000000 0.2577457 0.2478650), wk = 0.0037453 k( 224) = ( 0.5000000 0.2680555 0.2332847), wk = 0.0037453 k( 225) = ( 0.5000000 0.2783653 0.2187044), wk = 0.0037453 k( 226) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0037453 k( 227) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0037453 k( 228) = ( 0.4950000 0.2857884 0.2204541), wk = 0.0037453 k( 229) = ( 0.4900000 0.2829016 0.2367840), wk = 0.0037453 k( 230) = ( 0.4850000 0.2800149 0.2531139), wk = 0.0037453 k( 231) = ( 0.4800000 0.2771281 0.2694439), wk = 0.0037453 k( 232) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0037453 k( 233) = ( 0.4700000 0.2713546 0.3021037), wk = 0.0037453 k( 234) = ( 0.4650000 0.2684679 0.3184337), wk = 0.0037453 k( 235) = ( 0.4600000 0.2655811 0.3347636), wk = 0.0037453 k( 236) = ( 0.4550000 0.2626944 0.3510935), wk = 0.0037453 k( 237) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0037453 k( 238) = ( 0.4450000 0.2569209 0.3837534), wk = 0.0037453 k( 239) = ( 0.4400000 0.2540341 0.4000833), wk = 0.0037453 k( 240) = ( 0.4350000 0.2511474 0.4164133), wk = 0.0037453 k( 241) = ( 0.4300000 0.2482606 0.4327432), wk = 0.0037453 k( 242) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0037453 k( 243) = ( 0.4200000 0.2424871 0.4654031), wk = 0.0037453 k( 244) = ( 0.4150000 0.2396004 0.4817330), wk = 0.0037453 k( 245) = ( 0.4100000 0.2367136 0.4980629), wk = 0.0037453 k( 246) = ( 0.4050000 0.2338269 0.5143928), wk = 0.0037453 k( 247) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0037453 k( 248) = ( 0.3950000 0.2280534 0.5470527), wk = 0.0037453 k( 249) = ( 0.3900000 0.2251666 0.5633826), wk = 0.0037453 k( 250) = ( 0.3850000 0.2222799 0.5797126), wk = 0.0037453 k( 251) = ( 0.3800000 0.2193931 0.5960425), wk = 0.0037453 k( 252) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0037453 k( 253) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0037453 k( 254) = ( 0.6160714 -0.0876335 0.4082483), wk = 0.0037453 k( 255) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0037453 k( 256) = ( 0.5982143 -0.1185630 0.4082483), wk = 0.0037453 k( 257) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0037453 k( 258) = ( 0.5803571 -0.1494925 0.4082483), wk = 0.0037453 k( 259) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0037453 k( 260) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0037453 k( 261) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0037453 k( 262) = ( 0.5446429 -0.2113514 0.4082483), wk = 0.0037453 k( 263) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0037453 k( 264) = ( 0.5267857 -0.2422809 0.4082483), wk = 0.0037453 k( 265) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0037453 k( 266) = ( 0.5089286 -0.2732104 0.4082483), wk = 0.0037453 k( 267) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0037453 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 2) = ( 0.0125000 -0.0000000 0.0125000), wk = 0.0037453 k( 3) = ( 0.0250000 -0.0000000 0.0250000), wk = 0.0037453 k( 4) = ( 0.0375000 -0.0000000 0.0375000), wk = 0.0037453 k( 5) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0037453 k( 6) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0037453 k( 7) = ( 0.0750000 -0.0000000 0.0750000), wk = 0.0037453 k( 8) = ( 0.0875000 -0.0000000 0.0875000), wk = 0.0037453 k( 9) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0037453 k( 10) = ( 0.1125000 -0.0000000 0.1125000), wk = 0.0037453 k( 11) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0037453 k( 12) = ( 0.1375000 -0.0000000 0.1375000), wk = 0.0037453 k( 13) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0037453 k( 14) = ( 0.1625000 -0.0000000 0.1625000), wk = 0.0037453 k( 15) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0037453 k( 16) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0037453 k( 17) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0037453 k( 18) = ( 0.2125000 -0.0000000 0.2125000), wk = 0.0037453 k( 19) = ( 0.2250000 -0.0000000 0.2250000), wk = 0.0037453 k( 20) = ( 0.2375000 -0.0000000 0.2375000), wk = 0.0037453 k( 21) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0037453 k( 22) = ( 0.2625000 0.0000000 0.2625000), wk = 0.0037453 k( 23) = ( 0.2750000 -0.0000000 0.2750000), wk = 0.0037453 k( 24) = ( 0.2875000 0.0000000 0.2875000), wk = 0.0037453 k( 25) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0037453 k( 26) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0037453 k( 27) = ( 0.3250000 -0.0000000 0.3250000), wk = 0.0037453 k( 28) = ( 0.3375000 0.0000000 0.3375000), wk = 0.0037453 k( 29) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0037453 k( 30) = ( 0.3625000 -0.0000000 0.3625000), wk = 0.0037453 k( 31) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0037453 k( 32) = ( 0.3875000 -0.0000000 0.3875000), wk = 0.0037453 k( 33) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0037453 k( 34) = ( 0.4125000 -0.0000000 0.4125000), wk = 0.0037453 k( 35) = ( 0.4250000 -0.0000000 0.4250000), wk = 0.0037453 k( 36) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0037453 k( 37) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0037453 k( 38) = ( 0.4625000 -0.0000000 0.4625000), wk = 0.0037453 k( 39) = ( 0.4750000 -0.0000000 0.4750000), wk = 0.0037453 k( 40) = ( 0.4875000 -0.0000000 0.4875000), wk = 0.0037453 k( 41) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037453 k( 42) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037453 k( 43) = ( 0.5000000 0.0125000 0.5125000), wk = 0.0037453 k( 44) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0037453 k( 45) = ( 0.5000000 0.0375000 0.5375000), wk = 0.0037453 k( 46) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0037453 k( 47) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0037453 k( 48) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0037453 k( 49) = ( 0.5000000 0.0875000 0.5875000), wk = 0.0037453 k( 50) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0037453 k( 51) = ( 0.5000000 0.1125000 0.6125000), wk = 0.0037453 k( 52) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0037453 k( 53) = ( 0.5000000 0.1375000 0.6375000), wk = 0.0037453 k( 54) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0037453 k( 55) = ( 0.5000000 0.1625000 0.6625000), wk = 0.0037453 k( 56) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0037453 k( 57) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0037453 k( 58) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0037453 k( 59) = ( 0.5000000 0.2125000 0.7125000), wk = 0.0037453 k( 60) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0037453 k( 61) = ( 0.5000000 0.2375000 0.7375000), wk = 0.0037453 k( 62) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0037453 k( 63) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0037453 k( 64) = ( 0.4910714 0.2589286 0.7500000), wk = 0.0037453 k( 65) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0037453 k( 66) = ( 0.4732143 0.2767857 0.7500000), wk = 0.0037453 k( 67) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0037453 k( 68) = ( 0.4553571 0.2946429 0.7500000), wk = 0.0037453 k( 69) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0037453 k( 70) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0037453 k( 71) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0037453 k( 72) = ( 0.4196429 0.3303571 0.7500000), wk = 0.0037453 k( 73) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0037453 k( 74) = ( 0.4017857 0.3482143 0.7500000), wk = 0.0037453 k( 75) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0037453 k( 76) = ( 0.3839286 0.3660714 0.7500000), wk = 0.0037453 k( 77) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0037453 k( 78) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0037453 k( 79) = ( 0.3660714 0.3660714 0.7321429), wk = 0.0037453 k( 80) = ( 0.3571429 0.3571429 0.7142857), wk = 0.0037453 k( 81) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0037453 k( 82) = ( 0.3392857 0.3392857 0.6785714), wk = 0.0037453 k( 83) = ( 0.3303571 0.3303571 0.6607143), wk = 0.0037453 k( 84) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0037453 k( 85) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0037453 k( 86) = ( 0.3035714 0.3035714 0.6071429), wk = 0.0037453 k( 87) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0037453 k( 88) = ( 0.2857143 0.2857143 0.5714286), wk = 0.0037453 k( 89) = ( 0.2767857 0.2767857 0.5535714), wk = 0.0037453 k( 90) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0037453 k( 91) = ( 0.2589286 0.2589286 0.5178571), wk = 0.0037453 k( 92) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0037453 k( 93) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0037453 k( 94) = ( 0.2321429 0.2321429 0.4642857), wk = 0.0037453 k( 95) = ( 0.2232143 0.2232143 0.4464286), wk = 0.0037453 k( 96) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0037453 k( 97) = ( 0.2053571 0.2053571 0.4107143), wk = 0.0037453 k( 98) = ( 0.1964286 0.1964286 0.3928571), wk = 0.0037453 k( 99) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0037453 k( 100) = ( 0.1785714 0.1785714 0.3571429), wk = 0.0037453 k( 101) = ( 0.1696429 0.1696429 0.3392857), wk = 0.0037453 k( 102) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0037453 k( 103) = ( 0.1517857 0.1517857 0.3035714), wk = 0.0037453 k( 104) = ( 0.1428571 0.1428571 0.2857143), wk = 0.0037453 k( 105) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0037453 k( 106) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0037453 k( 107) = ( 0.1160714 0.1160714 0.2321429), wk = 0.0037453 k( 108) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0037453 k( 109) = ( 0.0982143 0.0982143 0.1964286), wk = 0.0037453 k( 110) = ( 0.0892857 0.0892857 0.1785714), wk = 0.0037453 k( 111) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0037453 k( 112) = ( 0.0714286 0.0714286 0.1428571), wk = 0.0037453 k( 113) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0037453 k( 114) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0037453 k( 115) = ( 0.0446429 0.0446429 0.0892857), wk = 0.0037453 k( 116) = ( 0.0357143 0.0357143 0.0714286), wk = 0.0037453 k( 117) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0037453 k( 118) = ( 0.0178571 0.0178571 0.0357143), wk = 0.0037453 k( 119) = ( 0.0089286 0.0089286 0.0178571), wk = 0.0037453 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037453 k( 122) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0037453 k( 123) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0037453 k( 124) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0037453 k( 125) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0037453 k( 126) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0037453 k( 127) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0037453 k( 128) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0037453 k( 129) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0037453 k( 130) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0037453 k( 131) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0037453 k( 132) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0037453 k( 133) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0037453 k( 134) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0037453 k( 135) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0037453 k( 136) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0037453 k( 137) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0037453 k( 138) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0037453 k( 139) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0037453 k( 140) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0037453 k( 141) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0037453 k( 142) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0037453 k( 143) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0037453 k( 144) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0037453 k( 145) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0037453 k( 146) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0037453 k( 147) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0037453 k( 148) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0037453 k( 149) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0037453 k( 150) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0037453 k( 151) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0037453 k( 152) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0037453 k( 153) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0037453 k( 154) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0037453 k( 155) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0037453 k( 156) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037453 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037453 k( 158) = ( 0.5050000 0.4900000 0.5050000), wk = 0.0037453 k( 159) = ( 0.5100000 0.4800000 0.5100000), wk = 0.0037453 k( 160) = ( 0.5150000 0.4700000 0.5150000), wk = 0.0037453 k( 161) = ( 0.5200000 0.4600000 0.5200000), wk = 0.0037453 k( 162) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0037453 k( 163) = ( 0.5300000 0.4400000 0.5300000), wk = 0.0037453 k( 164) = ( 0.5350000 0.4300000 0.5350000), wk = 0.0037453 k( 165) = ( 0.5400000 0.4200000 0.5400000), wk = 0.0037453 k( 166) = ( 0.5450000 0.4100000 0.5450000), wk = 0.0037453 k( 167) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0037453 k( 168) = ( 0.5550000 0.3900000 0.5550000), wk = 0.0037453 k( 169) = ( 0.5600000 0.3800000 0.5600000), wk = 0.0037453 k( 170) = ( 0.5650000 0.3700000 0.5650000), wk = 0.0037453 k( 171) = ( 0.5700000 0.3600000 0.5700000), wk = 0.0037453 k( 172) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0037453 k( 173) = ( 0.5800000 0.3400000 0.5800000), wk = 0.0037453 k( 174) = ( 0.5850000 0.3300000 0.5850000), wk = 0.0037453 k( 175) = ( 0.5900000 0.3200000 0.5900000), wk = 0.0037453 k( 176) = ( 0.5950000 0.3100000 0.5950000), wk = 0.0037453 k( 177) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0037453 k( 178) = ( 0.6050000 0.2900000 0.6050000), wk = 0.0037453 k( 179) = ( 0.6100000 0.2800000 0.6100000), wk = 0.0037453 k( 180) = ( 0.6150000 0.2700000 0.6150000), wk = 0.0037453 k( 181) = ( 0.6200000 0.2600000 0.6200000), wk = 0.0037453 k( 182) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0037453 k( 183) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0037453 k( 184) = ( 0.6160714 0.2500000 0.6339286), wk = 0.0037453 k( 185) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0037453 k( 186) = ( 0.5982143 0.2500000 0.6517857), wk = 0.0037453 k( 187) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0037453 k( 188) = ( 0.5803571 0.2500000 0.6696429), wk = 0.0037453 k( 189) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0037453 k( 190) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0037453 k( 191) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0037453 k( 192) = ( 0.5446429 0.2500000 0.7053571), wk = 0.0037453 k( 193) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0037453 k( 194) = ( 0.5267857 0.2500000 0.7232143), wk = 0.0037453 k( 195) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0037453 k( 196) = ( 0.5089286 0.2500000 0.7410714), wk = 0.0037453 k( 197) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0037453 k( 198) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0037453 k( 199) = ( 0.5000000 0.2589286 0.7410714), wk = 0.0037453 k( 200) = ( 0.5000000 0.2678571 0.7321429), wk = 0.0037453 k( 201) = ( 0.5000000 0.2767857 0.7232143), wk = 0.0037453 k( 202) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0037453 k( 203) = ( 0.5000000 0.2946429 0.7053571), wk = 0.0037453 k( 204) = ( 0.5000000 0.3035714 0.6964286), wk = 0.0037453 k( 205) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0037453 k( 206) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0037453 k( 207) = ( 0.5000000 0.3303571 0.6696429), wk = 0.0037453 k( 208) = ( 0.5000000 0.3392857 0.6607143), wk = 0.0037453 k( 209) = ( 0.5000000 0.3482143 0.6517857), wk = 0.0037453 k( 210) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0037453 k( 211) = ( 0.5000000 0.3660714 0.6339286), wk = 0.0037453 k( 212) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0037453 k( 213) = ( 0.5000000 0.3839286 0.6160714), wk = 0.0037453 k( 214) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0037453 k( 215) = ( 0.5000000 0.4017857 0.5982143), wk = 0.0037453 k( 216) = ( 0.5000000 0.4107143 0.5892857), wk = 0.0037453 k( 217) = ( 0.5000000 0.4196429 0.5803571), wk = 0.0037453 k( 218) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0037453 k( 219) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0037453 k( 220) = ( 0.5000000 0.4464286 0.5535714), wk = 0.0037453 k( 221) = ( 0.5000000 0.4553571 0.5446429), wk = 0.0037453 k( 222) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0037453 k( 223) = ( 0.5000000 0.4732143 0.5267857), wk = 0.0037453 k( 224) = ( 0.5000000 0.4821429 0.5178571), wk = 0.0037453 k( 225) = ( 0.5000000 0.4910714 0.5089286), wk = 0.0037453 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037453 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037453 k( 228) = ( 0.4950000 0.4950000 0.5100000), wk = 0.0037453 k( 229) = ( 0.4900000 0.4900000 0.5200000), wk = 0.0037453 k( 230) = ( 0.4850000 0.4850000 0.5300000), wk = 0.0037453 k( 231) = ( 0.4800000 0.4800000 0.5400000), wk = 0.0037453 k( 232) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0037453 k( 233) = ( 0.4700000 0.4700000 0.5600000), wk = 0.0037453 k( 234) = ( 0.4650000 0.4650000 0.5700000), wk = 0.0037453 k( 235) = ( 0.4600000 0.4600000 0.5800000), wk = 0.0037453 k( 236) = ( 0.4550000 0.4550000 0.5900000), wk = 0.0037453 k( 237) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0037453 k( 238) = ( 0.4450000 0.4450000 0.6100000), wk = 0.0037453 k( 239) = ( 0.4400000 0.4400000 0.6200000), wk = 0.0037453 k( 240) = ( 0.4350000 0.4350000 0.6300000), wk = 0.0037453 k( 241) = ( 0.4300000 0.4300000 0.6400000), wk = 0.0037453 k( 242) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0037453 k( 243) = ( 0.4200000 0.4200000 0.6600000), wk = 0.0037453 k( 244) = ( 0.4150000 0.4150000 0.6700000), wk = 0.0037453 k( 245) = ( 0.4100000 0.4100000 0.6800000), wk = 0.0037453 k( 246) = ( 0.4050000 0.4050000 0.6900000), wk = 0.0037453 k( 247) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0037453 k( 248) = ( 0.3950000 0.3950000 0.7100000), wk = 0.0037453 k( 249) = ( 0.3900000 0.3900000 0.7200000), wk = 0.0037453 k( 250) = ( 0.3850000 0.3850000 0.7300000), wk = 0.0037453 k( 251) = ( 0.3800000 0.3800000 0.7400000), wk = 0.0037453 k( 252) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0037453 k( 253) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0037453 k( 254) = ( 0.6160714 0.2321429 0.6160714), wk = 0.0037453 k( 255) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0037453 k( 256) = ( 0.5982143 0.1964286 0.5982143), wk = 0.0037453 k( 257) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0037453 k( 258) = ( 0.5803571 0.1607143 0.5803571), wk = 0.0037453 k( 259) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0037453 k( 260) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0037453 k( 261) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0037453 k( 262) = ( 0.5446429 0.0892857 0.5446429), wk = 0.0037453 k( 263) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0037453 k( 264) = ( 0.5267857 0.0535714 0.5267857), wk = 0.0037453 k( 265) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0037453 k( 266) = ( 0.5089286 0.0178571 0.5089286), wk = 0.0037453 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037453 Dense grid: 84283 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 37309 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 252, 100) NL pseudopotentials 0.61 Mb ( 126, 316) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2341) G-vector shells 0.00 Mb ( 561) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.54 Mb ( 252, 400) Each subspace H/S matrix 0.15 Mb ( 100, 100) Each matrix 0.96 Mb ( 316, 2, 100) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Al2ZnO4.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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 7.9 secs Computing kpt #: 5 total cpu time spent up to now is 9.3 secs Computing kpt #: 6 total cpu time spent up to now is 10.6 secs Computing kpt #: 7 total cpu time spent up to now is 12.0 secs Computing kpt #: 8 total cpu time spent up to now is 13.4 secs Computing kpt #: 9 total cpu time spent up to now is 14.7 secs Computing kpt #: 10 total cpu time spent up to now is 16.1 secs Computing kpt #: 11 total cpu time spent up to now is 17.5 secs Computing kpt #: 12 total cpu time spent up to now is 18.9 secs Computing kpt #: 13 total cpu time spent up to now is 20.2 secs Computing kpt #: 14 total cpu time spent up to now is 21.6 secs Computing kpt #: 15 total cpu time spent up to now is 23.0 secs Computing kpt #: 16 total cpu time spent up to now is 24.4 secs Computing kpt #: 17 total cpu time spent up to now is 25.8 secs Computing kpt #: 18 total cpu time spent up to now is 27.2 secs Computing kpt #: 19 total cpu time spent up to now is 28.5 secs Computing kpt #: 20 total cpu time spent up to now is 29.9 secs Computing kpt #: 21 total cpu time spent up to now is 31.3 secs Computing kpt #: 22 total cpu time spent up to now is 32.6 secs Computing kpt #: 23 total cpu time spent up to now is 34.0 secs Computing kpt #: 24 total cpu time spent up to now is 35.4 secs Computing kpt #: 25 total cpu time spent up to now is 36.8 secs Computing kpt #: 26 total cpu time spent up to now is 38.3 secs Computing kpt #: 27 total cpu time spent up to now is 39.7 secs Computing kpt #: 28 total cpu time spent up to now is 41.2 secs Computing kpt #: 29 total cpu time spent up to now is 42.6 secs Computing kpt #: 30 total cpu time spent up to now is 44.2 secs Computing kpt #: 31 total cpu time spent up to now is 45.9 secs Computing kpt #: 32 total cpu time spent up to now is 47.5 secs Computing kpt #: 33 total cpu time spent up to now is 49.4 secs Computing kpt #: 34 total cpu time spent up to now is 51.4 secs Computing kpt #: 35 total cpu time spent up to now is 53.2 secs Computing kpt #: 36 total cpu time spent up to now is 55.2 secs Computing kpt #: 37 total cpu time spent up to now is 57.1 secs Computing kpt #: 38 total cpu time spent up to now is 59.0 secs Computing kpt #: 39 total cpu time spent up to now is 61.0 secs Computing kpt #: 40 total cpu time spent up to now is 63.0 secs Computing kpt #: 41 total cpu time spent up to now is 64.9 secs Computing kpt #: 42 total cpu time spent up to now is 66.9 secs Computing kpt #: 43 total cpu time spent up to now is 68.9 secs Computing kpt #: 44 total cpu time spent up to now is 70.8 secs Computing kpt #: 45 total cpu time spent up to now is 72.6 secs Computing kpt #: 46 total cpu time spent up to now is 74.4 secs Computing kpt #: 47 total cpu time spent up to now is 76.2 secs Computing kpt #: 48 total cpu time spent up to now is 78.0 secs Computing kpt #: 49 total cpu time spent up to now is 79.8 secs Computing kpt #: 50 total cpu time spent up to now is 81.6 secs Computing kpt #: 51 total cpu time spent up to now is 83.4 secs Computing kpt #: 52 total cpu time spent up to now is 85.1 secs Computing kpt #: 53 total cpu time spent up to now is 86.9 secs Computing kpt #: 54 total cpu time spent up to now is 88.6 secs Computing kpt #: 55 total cpu time spent up to now is 90.3 secs Computing kpt #: 56 total cpu time spent up to now is 92.0 secs Computing kpt #: 57 total cpu time spent up to now is 93.7 secs Computing kpt #: 58 total cpu time spent up to now is 95.3 secs Computing kpt #: 59 total cpu time spent up to now is 97.0 secs Computing kpt #: 60 total cpu time spent up to now is 98.6 secs Computing kpt #: 61 total cpu time spent up to now is 100.2 secs Computing kpt #: 62 total cpu time spent up to now is 101.9 secs Computing kpt #: 63 total cpu time spent up to now is 103.5 secs Computing kpt #: 64 total cpu time spent up to now is 105.2 secs Computing kpt #: 65 total cpu time spent up to now is 106.8 secs Computing kpt #: 66 total cpu time spent up to now is 108.4 secs Computing kpt #: 67 total cpu time spent up to now is 110.2 secs Computing kpt #: 68 total cpu time spent up to now is 112.1 secs Computing kpt #: 69 total cpu time spent up to now is 113.8 secs Computing kpt #: 70 total cpu time spent up to now is 115.5 secs Computing kpt #: 71 total cpu time spent up to now is 117.2 secs Computing kpt #: 72 total cpu time spent up to now is 119.0 secs Computing kpt #: 73 total cpu time spent up to now is 120.9 secs Computing kpt #: 74 total cpu time spent up to now is 122.8 secs Computing kpt #: 75 total cpu time spent up to now is 124.7 secs Computing kpt #: 76 total cpu time spent up to now is 126.6 secs Computing kpt #: 77 total cpu time spent up to now is 128.8 secs Computing kpt #: 78 total cpu time spent up to now is 130.7 secs Computing kpt #: 79 total cpu time spent up to now is 132.6 secs Computing kpt #: 80 total cpu time spent up to now is 134.8 secs Computing kpt #: 81 total cpu time spent up to now is 137.1 secs Computing kpt #: 82 total cpu time spent up to now is 139.0 secs Computing kpt #: 83 total cpu time spent up to now is 141.3 secs Computing kpt #: 84 total cpu time spent up to now is 143.1 secs Computing kpt #: 85 total cpu time spent up to now is 144.9 secs Computing kpt #: 86 total cpu time spent up to now is 146.8 secs Computing kpt #: 87 total cpu time spent up to now is 148.7 secs Computing kpt #: 88 total cpu time spent up to now is 150.5 secs Computing kpt #: 89 total cpu time spent up to now is 152.2 secs Computing kpt #: 90 total cpu time spent up to now is 153.8 secs Computing kpt #: 91 total cpu time spent up to now is 155.3 secs Computing kpt #: 92 total cpu time spent up to now is 156.9 secs Computing kpt #: 93 total cpu time spent up to now is 158.4 secs Computing kpt #: 94 total cpu time spent up to now is 159.9 secs Computing kpt #: 95 total cpu time spent up to now is 161.3 secs Computing kpt #: 96 total cpu time spent up to now is 162.7 secs Computing kpt #: 97 total cpu time spent up to now is 164.2 secs Computing kpt #: 98 total cpu time spent up to now is 165.6 secs Computing kpt #: 99 total cpu time spent up to now is 167.0 secs Computing kpt #: 100 total cpu time spent up to now is 168.4 secs Computing kpt #: 101 total cpu time spent up to now is 169.8 secs Computing kpt #: 102 total cpu time spent up to now is 171.2 secs Computing kpt #: 103 total cpu time spent up to now is 172.6 secs Computing kpt #: 104 total cpu time spent up to now is 174.0 secs Computing kpt #: 105 total cpu time spent up to now is 175.4 secs Computing kpt #: 106 total cpu time spent up to now is 176.8 secs Computing kpt #: 107 total cpu time spent up to now is 178.2 secs Computing kpt #: 108 total cpu time spent up to now is 179.6 secs Computing kpt #: 109 total cpu time spent up to now is 181.0 secs Computing kpt #: 110 total cpu time spent up to now is 182.4 secs Computing kpt #: 111 total cpu time spent up to now is 183.8 secs Computing kpt #: 112 total cpu time spent up to now is 185.2 secs Computing kpt #: 113 total cpu time spent up to now is 186.6 secs Computing kpt #: 114 total cpu time spent up to now is 188.0 secs Computing kpt #: 115 total cpu time spent up to now is 189.4 secs Computing kpt #: 116 total cpu time spent up to now is 190.8 secs Computing kpt #: 117 total cpu time spent up to now is 192.3 secs Computing kpt #: 118 total cpu time spent up to now is 193.7 secs Computing kpt #: 119 total cpu time spent up to now is 195.0 secs Computing kpt #: 120 total cpu time spent up to now is 196.3 secs Computing kpt #: 121 total cpu time spent up to now is 197.6 secs Computing kpt #: 122 total cpu time spent up to now is 198.9 secs Computing kpt #: 123 total cpu time spent up to now is 200.3 secs Computing kpt #: 124 total cpu time spent up to now is 201.8 secs Computing kpt #: 125 total cpu time spent up to now is 203.2 secs Computing kpt #: 126 total cpu time spent up to now is 204.6 secs Computing kpt #: 127 total cpu time spent up to now is 206.0 secs Computing kpt #: 128 total cpu time spent up to now is 207.4 secs Computing kpt #: 129 total cpu time spent up to now is 208.8 secs Computing kpt #: 130 total cpu time spent up to now is 210.2 secs Computing kpt #: 131 total cpu time spent up to now is 211.6 secs Computing kpt #: 132 total cpu time spent up to now is 212.9 secs Computing kpt #: 133 total cpu time spent up to now is 214.3 secs Computing kpt #: 134 total cpu time spent up to now is 215.7 secs Computing kpt #: 135 total cpu time spent up to now is 217.1 secs Computing kpt #: 136 total cpu time spent up to now is 218.5 secs Computing kpt #: 137 total cpu time spent up to now is 219.9 secs Computing kpt #: 138 total cpu time spent up to now is 221.3 secs Computing kpt #: 139 total cpu time spent up to now is 222.7 secs Computing kpt #: 140 total cpu time spent up to now is 224.1 secs Computing kpt #: 141 total cpu time spent up to now is 225.5 secs Computing kpt #: 142 total cpu time spent up to now is 227.0 secs Computing kpt #: 143 total cpu time spent up to now is 228.4 secs Computing kpt #: 144 total cpu time spent up to now is 229.9 secs Computing kpt #: 145 total cpu time spent up to now is 231.5 secs Computing kpt #: 146 total cpu time spent up to now is 233.1 secs Computing kpt #: 147 total cpu time spent up to now is 234.7 secs Computing kpt #: 148 total cpu time spent up to now is 236.3 secs Computing kpt #: 149 total cpu time spent up to now is 237.9 secs Computing kpt #: 150 total cpu time spent up to now is 239.6 secs Computing kpt #: 151 total cpu time spent up to now is 241.2 secs Computing kpt #: 152 total cpu time spent up to now is 243.1 secs Computing kpt #: 153 total cpu time spent up to now is 244.7 secs Computing kpt #: 154 total cpu time spent up to now is 246.6 secs Computing kpt #: 155 total cpu time spent up to now is 248.4 secs Computing kpt #: 156 total cpu time spent up to now is 250.4 secs Computing kpt #: 157 total cpu time spent up to now is 252.3 secs Computing kpt #: 158 total cpu time spent up to now is 254.2 secs Computing kpt #: 159 total cpu time spent up to now is 256.3 secs Computing kpt #: 160 total cpu time spent up to now is 258.5 secs Computing kpt #: 161 total cpu time spent up to now is 260.2 secs Computing kpt #: 162 total cpu time spent up to now is 261.9 secs Computing kpt #: 163 total cpu time spent up to now is 264.1 secs Computing kpt #: 164 total cpu time spent up to now is 266.0 secs Computing kpt #: 165 total cpu time spent up to now is 267.8 secs Computing kpt #: 166 total cpu time spent up to now is 269.6 secs Computing kpt #: 167 total cpu time spent up to now is 271.4 secs Computing kpt #: 168 total cpu time spent up to now is 273.2 secs Computing kpt #: 169 total cpu time spent up to now is 274.9 secs Computing kpt #: 170 total cpu time spent up to now is 276.7 secs Computing kpt #: 171 total cpu time spent up to now is 278.4 secs Computing kpt #: 172 total cpu time spent up to now is 280.2 secs Computing kpt #: 173 total cpu time spent up to now is 282.2 secs Computing kpt #: 174 total cpu time spent up to now is 284.1 secs Computing kpt #: 175 total cpu time spent up to now is 286.0 secs Computing kpt #: 176 total cpu time spent up to now is 287.9 secs Computing kpt #: 177 total cpu time spent up to now is 290.1 secs Computing kpt #: 178 total cpu time spent up to now is 292.3 secs Computing kpt #: 179 total cpu time spent up to now is 294.2 secs Computing kpt #: 180 total cpu time spent up to now is 296.2 secs Computing kpt #: 181 total cpu time spent up to now is 298.3 secs Computing kpt #: 182 total cpu time spent up to now is 300.3 secs Computing kpt #: 183 total cpu time spent up to now is 302.3 secs Computing kpt #: 184 total cpu time spent up to now is 304.1 secs Computing kpt #: 185 total cpu time spent up to now is 306.0 secs Computing kpt #: 186 total cpu time spent up to now is 307.8 secs Computing kpt #: 187 total cpu time spent up to now is 309.6 secs Computing kpt #: 188 total cpu time spent up to now is 311.4 secs Computing kpt #: 189 total cpu time spent up to now is 313.2 secs Computing kpt #: 190 total cpu time spent up to now is 314.9 secs Computing kpt #: 191 total cpu time spent up to now is 316.6 secs Computing kpt #: 192 total cpu time spent up to now is 318.2 secs Computing kpt #: 193 total cpu time spent up to now is 319.9 secs Computing kpt #: 194 total cpu time spent up to now is 321.5 secs Computing kpt #: 195 total cpu time spent up to now is 323.1 secs Computing kpt #: 196 total cpu time spent up to now is 324.8 secs Computing kpt #: 197 total cpu time spent up to now is 326.4 secs Computing kpt #: 198 total cpu time spent up to now is 328.4 secs Computing kpt #: 199 total cpu time spent up to now is 330.1 secs Computing kpt #: 200 total cpu time spent up to now is 331.7 secs Computing kpt #: 201 total cpu time spent up to now is 333.4 secs Computing kpt #: 202 total cpu time spent up to now is 335.0 secs Computing kpt #: 203 total cpu time spent up to now is 336.6 secs Computing kpt #: 204 total cpu time spent up to now is 338.3 secs Computing kpt #: 205 total cpu time spent up to now is 340.0 secs Computing kpt #: 206 total cpu time spent up to now is 341.8 secs Computing kpt #: 207 total cpu time spent up to now is 343.5 secs Computing kpt #: 208 total cpu time spent up to now is 345.3 secs Computing kpt #: 209 total cpu time spent up to now is 347.1 secs Computing kpt #: 210 total cpu time spent up to now is 348.9 secs Computing kpt #: 211 total cpu time spent up to now is 350.7 secs Computing kpt #: 212 total cpu time spent up to now is 352.4 secs Computing kpt #: 213 total cpu time spent up to now is 354.7 secs Computing kpt #: 214 total cpu time spent up to now is 356.8 secs Computing kpt #: 215 total cpu time spent up to now is 359.0 secs Computing kpt #: 216 total cpu time spent up to now is 361.3 secs Computing kpt #: 217 total cpu time spent up to now is 363.9 secs Computing kpt #: 218 total cpu time spent up to now is 366.3 secs Computing kpt #: 219 total cpu time spent up to now is 368.0 secs Computing kpt #: 220 total cpu time spent up to now is 369.9 secs Computing kpt #: 221 total cpu time spent up to now is 371.6 secs Computing kpt #: 222 total cpu time spent up to now is 373.4 secs Computing kpt #: 223 total cpu time spent up to now is 375.3 secs Computing kpt #: 224 total cpu time spent up to now is 377.2 secs Computing kpt #: 225 total cpu time spent up to now is 379.4 secs Computing kpt #: 226 total cpu time spent up to now is 381.3 secs Computing kpt #: 227 total cpu time spent up to now is 383.4 secs Computing kpt #: 228 total cpu time spent up to now is 385.3 secs Computing kpt #: 229 total cpu time spent up to now is 387.3 secs Computing kpt #: 230 total cpu time spent up to now is 389.0 secs Computing kpt #: 231 total cpu time spent up to now is 390.7 secs Computing kpt #: 232 total cpu time spent up to now is 392.6 secs Computing kpt #: 233 total cpu time spent up to now is 394.5 secs Computing kpt #: 234 total cpu time spent up to now is 396.3 secs Computing kpt #: 235 total cpu time spent up to now is 398.4 secs Computing kpt #: 236 total cpu time spent up to now is 400.3 secs Computing kpt #: 237 total cpu time spent up to now is 402.0 secs Computing kpt #: 238 total cpu time spent up to now is 403.8 secs Computing kpt #: 239 total cpu time spent up to now is 405.6 secs Computing kpt #: 240 total cpu time spent up to now is 407.4 secs Computing kpt #: 241 total cpu time spent up to now is 409.1 secs Computing kpt #: 242 total cpu time spent up to now is 411.2 secs Computing kpt #: 243 total cpu time spent up to now is 413.2 secs Computing kpt #: 244 total cpu time spent up to now is 415.0 secs Computing kpt #: 245 total cpu time spent up to now is 417.2 secs Computing kpt #: 246 total cpu time spent up to now is 419.2 secs Computing kpt #: 247 total cpu time spent up to now is 421.3 secs Computing kpt #: 248 total cpu time spent up to now is 423.3 secs Computing kpt #: 249 total cpu time spent up to now is 425.4 secs Computing kpt #: 250 total cpu time spent up to now is 427.6 secs Computing kpt #: 251 total cpu time spent up to now is 429.6 secs Computing kpt #: 252 total cpu time spent up to now is 431.5 secs Computing kpt #: 253 total cpu time spent up to now is 433.5 secs Computing kpt #: 254 total cpu time spent up to now is 435.5 secs Computing kpt #: 255 total cpu time spent up to now is 437.4 secs Computing kpt #: 256 total cpu time spent up to now is 439.4 secs Computing kpt #: 257 total cpu time spent up to now is 441.4 secs Computing kpt #: 258 total cpu time spent up to now is 443.5 secs Computing kpt #: 259 total cpu time spent up to now is 445.7 secs Computing kpt #: 260 total cpu time spent up to now is 447.7 secs Computing kpt #: 261 total cpu time spent up to now is 449.7 secs Computing kpt #: 262 total cpu time spent up to now is 451.6 secs Computing kpt #: 263 total cpu time spent up to now is 453.6 secs Computing kpt #: 264 total cpu time spent up to now is 455.5 secs Computing kpt #: 265 total cpu time spent up to now is 457.4 secs Computing kpt #: 266 total cpu time spent up to now is 459.4 secs Computing kpt #: 267 total cpu time spent up to now is 461.5 secs ethr = 1.19E-08, avg # of iterations = 28.2 total cpu time spent up to now is 461.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4645 PWs) bands (ev): -11.3695 -11.3695 -9.7795 -9.7795 -9.0768 -9.0768 -9.0744 -9.0744 -9.0743 -9.0743 -8.6969 -8.6969 -8.6942 -8.6942 -8.6942 -8.6942 1.1557 1.1557 1.7021 1.7021 1.7116 1.7116 1.7116 1.7116 1.9575 1.9575 2.1237 2.1237 2.1237 2.1237 3.5938 3.5938 3.5938 3.5938 3.6178 3.6178 3.6178 3.6178 3.7694 3.7694 3.7876 3.7876 4.1882 4.1882 4.1882 4.1882 4.9318 4.9318 4.9318 4.9318 5.6308 5.6308 5.6308 5.6308 5.6535 5.6535 6.0171 6.0171 6.0360 6.0360 6.0360 6.0360 6.6185 6.6185 6.6185 6.6185 7.0107 7.0107 7.0281 7.0281 7.0281 7.0281 7.6139 7.6139 7.6139 7.6139 7.6268 7.6268 8.1374 8.1374 8.1374 8.1374 8.1385 8.1385 12.4951 12.4951 15.7243 15.7243 16.1364 16.1364 16.1866 16.1866 16.1866 16.1866 16.9028 16.9028 16.9262 16.9262 16.9262 16.9262 k = 0.0125-0.0072 0.0102 ( 4645 PWs) bands (ev): -11.3689 -11.3689 -9.7800 -9.7800 -9.0770 -9.0770 -9.0746 -9.0746 -9.0745 -9.0745 -8.6970 -8.6970 -8.6944 -8.6944 -8.6940 -8.6940 1.1569 1.1569 1.7028 1.7028 1.7121 1.7121 1.7126 1.7126 1.9585 1.9585 2.1245 2.1245 2.1249 2.1249 3.5932 3.5932 3.5943 3.5943 3.6181 3.6181 3.6183 3.6183 3.7698 3.7698 3.7879 3.7879 4.1880 4.1880 4.1882 4.1882 4.9316 4.9316 4.9319 4.9319 5.6295 5.6295 5.6304 5.6304 5.6526 5.6526 6.0153 6.0153 6.0331 6.0331 6.0360 6.0360 6.6169 6.6169 6.6218 6.6218 7.0098 7.0098 7.0266 7.0266 7.0278 7.0278 7.6121 7.6121 7.6137 7.6137 7.6261 7.6261 8.1345 8.1345 8.1366 8.1366 8.1375 8.1375 12.4990 12.4990 15.7223 15.7223 16.1391 16.1391 16.1876 16.1876 16.1910 16.1910 16.8965 16.8965 16.9201 16.9201 16.9298 16.9298 k = 0.0250-0.0144 0.0204 ( 4645 PWs) bands (ev): -11.3670 -11.3670 -9.7815 -9.7815 -9.0775 -9.0775 -9.0752 -9.0752 -9.0749 -9.0749 -8.6978 -8.6978 -8.6947 -8.6947 -8.6936 -8.6936 1.1605 1.1605 1.7048 1.7048 1.7137 1.7137 1.7155 1.7155 1.9614 1.9614 2.1271 2.1271 2.1287 2.1287 3.5914 3.5914 3.5957 3.5957 3.6187 3.6187 3.6199 3.6199 3.7712 3.7712 3.7888 3.7888 4.1871 4.1871 4.1880 4.1880 4.9308 4.9308 4.9321 4.9321 5.6254 5.6254 5.6293 5.6293 5.6500 5.6500 6.0069 6.0069 6.0278 6.0278 6.0360 6.0360 6.6121 6.6121 6.6314 6.6314 7.0067 7.0067 7.0223 7.0223 7.0273 7.0273 7.6062 7.6062 7.6133 7.6133 7.6244 7.6244 8.1250 8.1250 8.1342 8.1342 8.1350 8.1350 12.5108 12.5108 15.7165 15.7165 16.1461 16.1461 16.1907 16.1907 16.2050 16.2050 16.8693 16.8693 16.9266 16.9266 16.9404 16.9404 k = 0.0375-0.0217 0.0306 ( 4645 PWs) bands (ev): -11.3638 -11.3638 -9.7840 -9.7840 -9.0784 -9.0784 -9.0762 -9.0762 -9.0756 -9.0756 -8.7000 -8.7000 -8.6943 -8.6943 -8.6928 -8.6928 1.1666 1.1666 1.7074 1.7074 1.7171 1.7171 1.7205 1.7205 1.9660 1.9660 2.1314 2.1314 2.1351 2.1351 3.5886 3.5886 3.5978 3.5978 3.6195 3.6195 3.6226 3.6226 3.7735 3.7735 3.7903 3.7903 4.1856 4.1856 4.1877 4.1877 4.9294 4.9294 4.9324 4.9324 5.6182 5.6182 5.6273 5.6273 5.6462 5.6462 5.9879 5.9879 6.0250 6.0250 6.0361 6.0361 6.6041 6.6041 6.6466 6.6466 7.0007 7.0007 7.0150 7.0150 7.0272 7.0272 7.5953 7.5953 7.6126 7.6126 7.6229 7.6229 8.1092 8.1092 8.1302 8.1302 8.1310 8.1310 12.5302 12.5302 15.7079 15.7079 16.1552 16.1552 16.1958 16.1958 16.2297 16.2297 16.8373 16.8373 16.9438 16.9438 16.9579 16.9579 k = 0.0500-0.0289 0.0408 ( 4649 PWs) bands (ev): -11.3594 -11.3594 -9.7875 -9.7875 -9.0797 -9.0797 -9.0776 -9.0776 -9.0765 -9.0765 -8.7035 -8.7035 -8.6933 -8.6933 -8.6917 -8.6917 1.1751 1.1751 1.7103 1.7103 1.7228 1.7228 1.7274 1.7274 1.9723 1.9723 2.1374 2.1374 2.1441 2.1441 3.5851 3.5851 3.6003 3.6003 3.6201 3.6201 3.6265 3.6265 3.7768 3.7768 3.7926 3.7926 4.1836 4.1836 4.1872 4.1872 4.9276 4.9276 4.9328 4.9328 5.6076 5.6076 5.6243 5.6243 5.6413 5.6413 5.9604 5.9604 6.0240 6.0240 6.0365 6.0365 6.5930 6.5930 6.6661 6.6661 6.9915 6.9915 7.0048 7.0048 7.0279 7.0279 7.5793 7.5793 7.6116 7.6116 7.6214 7.6214 8.0874 8.0874 8.1246 8.1246 8.1255 8.1255 12.5572 12.5572 15.6976 15.6976 16.1657 16.1657 16.2032 16.2032 16.2647 16.2647 16.8074 16.8074 16.9686 16.9686 16.9823 16.9823 k = 0.0625-0.0361 0.0510 ( 4653 PWs) bands (ev): -11.3538 -11.3538 -9.7920 -9.7920 -9.0814 -9.0814 -9.0793 -9.0793 -9.0776 -9.0776 -8.7080 -8.7080 -8.6920 -8.6920 -8.6903 -8.6903 1.1860 1.1860 1.7133 1.7133 1.7309 1.7309 1.7362 1.7362 1.9801 1.9801 2.1451 2.1451 2.1558 2.1558 3.5811 3.5811 3.6031 3.6031 3.6205 3.6205 3.6318 3.6318 3.7810 3.7810 3.7956 3.7956 4.1810 4.1810 4.1866 4.1866 4.9252 4.9252 4.9334 4.9334 5.5936 5.5936 5.6201 5.6201 5.6353 5.6353 5.9266 5.9266 6.0240 6.0240 6.0373 6.0373 6.5789 6.5789 6.6888 6.6888 6.9791 6.9791 6.9918 6.9918 7.0294 7.0294 7.5586 7.5586 7.6104 7.6104 7.6200 7.6200 8.0599 8.0599 8.1176 8.1176 8.1184 8.1184 12.5913 12.5913 15.6868 15.6868 16.1778 16.1778 16.2129 16.2129 16.3087 16.3087 16.7812 16.7812 17.0003 17.0003 17.0133 17.0133 k = 0.0750-0.0433 0.0612 ( 4645 PWs) bands (ev): -11.3469 -11.3469 -9.7975 -9.7975 -9.0834 -9.0834 -9.0815 -9.0815 -9.0789 -9.0789 -8.7135 -8.7135 -8.6904 -8.6904 -8.6886 -8.6886 1.1991 1.1991 1.7169 1.7169 1.7412 1.7412 1.7469 1.7469 1.9892 1.9892 2.1545 2.1545 2.1702 2.1702 3.5767 3.5767 3.6059 3.6059 3.6205 3.6205 3.6386 3.6386 3.7862 3.7862 3.7998 3.7998 4.1779 4.1779 4.1858 4.1858 4.9224 4.9224 4.9342 4.9342 5.5761 5.5761 5.6147 5.6147 5.6281 5.6281 5.8879 5.8879 6.0249 6.0249 6.0389 6.0389 6.5617 6.5617 6.7138 6.7138 6.9635 6.9635 6.9757 6.9757 7.0315 7.0315 7.5333 7.5333 7.6090 7.6090 7.6184 7.6184 8.0269 8.0269 8.1091 8.1091 8.1099 8.1099 12.6323 12.6323 15.6762 15.6762 16.1918 16.1918 16.2250 16.2250 16.3602 16.3602 16.7593 16.7593 17.0386 17.0386 17.0507 17.0507 k = 0.0875-0.0505 0.0714 ( 4649 PWs) bands (ev): -11.3387 -11.3387 -9.8040 -9.8040 -9.0858 -9.0858 -9.0839 -9.0839 -9.0803 -9.0803 -8.7199 -8.7199 -8.6885 -8.6885 -8.6867 -8.6867 1.2146 1.2146 1.7212 1.7212 1.7535 1.7535 1.7595 1.7595 1.9993 1.9993 2.1656 2.1656 2.1873 2.1873 3.5718 3.5718 3.6085 3.6085 3.6200 3.6200 3.6468 3.6468 3.7923 3.7923 3.8052 3.8052 4.1740 4.1740 4.1849 4.1849 4.9191 4.9191 4.9351 4.9351 5.5554 5.5554 5.6076 5.6076 5.6194 5.6194 5.8455 5.8455 6.0268 6.0268 6.0414 6.0414 6.5416 6.5416 6.7401 6.7401 6.9449 6.9449 6.9568 6.9568 7.0341 7.0341 7.5036 7.5036 7.6073 7.6073 7.6167 7.6167 7.9887 7.9887 8.0991 8.0991 8.0999 8.0999 12.6797 12.6797 15.6664 15.6664 16.2080 16.2080 16.2396 16.2396 16.4183 16.4183 16.7419 16.7419 17.0832 17.0832 17.0943 17.0943 k = 0.1000-0.0577 0.0816 ( 4661 PWs) bands (ev): -11.3294 -11.3294 -9.8115 -9.8115 -9.0885 -9.0885 -9.0867 -9.0867 -9.0819 -9.0819 -8.7273 -8.7273 -8.6863 -8.6863 -8.6846 -8.6846 1.2323 1.2323 1.7265 1.7265 1.7676 1.7676 1.7739 1.7739 2.0104 2.0104 2.1784 2.1784 2.2071 2.2071 3.5667 3.5667 3.6107 3.6107 3.6188 3.6188 3.6561 3.6561 3.7994 3.7994 3.8119 3.8119 4.1699 4.1699 4.1837 4.1837 4.9152 4.9152 4.9361 4.9361 5.5317 5.5317 5.5989 5.5989 5.6091 5.6091 5.8000 5.8000 6.0299 6.0299 6.0451 6.0451 6.5187 6.5187 6.7671 6.7671 6.9233 6.9233 6.9349 6.9349 7.0373 7.0373 7.4698 7.4698 7.6054 7.6054 7.6147 7.6147 7.9459 7.9459 8.0878 8.0878 8.0885 8.0885 12.7331 12.7331 15.6579 15.6579 16.2267 16.2267 16.2567 16.2567 16.4822 16.4822 16.7291 16.7291 17.1337 17.1337 17.1437 17.1437 k = 0.1125-0.0650 0.0919 ( 4653 PWs) bands (ev): -11.3188 -11.3188 -9.8201 -9.8201 -9.0915 -9.0915 -9.0897 -9.0897 -9.0837 -9.0837 -8.7355 -8.7355 -8.6840 -8.6840 -8.6822 -8.6822 1.2521 1.2521 1.7328 1.7328 1.7835 1.7835 1.7900 1.7900 2.0223 2.0223 2.1929 2.1929 2.2297 2.2297 3.5614 3.5614 3.6126 3.6126 3.6171 3.6171 3.6667 3.6667 3.8075 3.8075 3.8204 3.8204 4.1651 4.1651 4.1823 4.1823 4.9109 4.9109 4.9376 4.9376 5.5051 5.5051 5.5884 5.5884 5.5970 5.5970 5.7521 5.7521 6.0346 6.0346 6.0502 6.0502 6.4931 6.4931 6.7944 6.7944 6.8987 6.8987 6.9102 6.9102 7.0408 7.0408 7.4319 7.4319 7.6033 7.6033 7.6125 7.6125 7.8987 7.8987 8.0752 8.0752 8.0759 8.0759 12.7920 12.7920 15.6508 15.6508 16.2479 16.2479 16.2765 16.2765 16.5512 16.5512 16.7209 16.7209 17.1899 17.1899 17.1988 17.1988 k = 0.1250-0.0722 0.1021 ( 4657 PWs) bands (ev): -11.3071 -11.3071 -9.8296 -9.8296 -9.0948 -9.0948 -9.0931 -9.0931 -9.0855 -9.0855 -8.7444 -8.7444 -8.6814 -8.6814 -8.6797 -8.6797 1.2740 1.2740 1.7402 1.7402 1.8011 1.8011 1.8079 1.8079 2.0349 2.0349 2.2090 2.2090 2.2548 2.2548 3.5558 3.5558 3.6138 3.6138 3.6147 3.6147 3.6782 3.6782 3.8165 3.8165 3.8306 3.8306 4.1597 4.1597 4.1806 4.1806 4.9061 4.9061 4.9394 4.9394 5.4759 5.4759 5.5759 5.5759 5.5830 5.5830 5.7023 5.7023 6.0409 6.0409 6.0568 6.0568 6.4649 6.4649 6.8214 6.8214 6.8713 6.8713 6.8828 6.8828 7.0448 7.0448 7.3903 7.3903 7.6010 7.6010 7.6100 7.6100 7.8477 7.8477 8.0615 8.0615 8.0620 8.0620 12.8559 12.8559 15.6451 15.6451 16.2716 16.2716 16.2990 16.2990 16.6249 16.6249 16.7172 16.7172 17.2515 17.2515 17.2592 17.2592 k = 0.1375-0.0794 0.1123 ( 4657 PWs) bands (ev): -11.2941 -11.2941 -9.8402 -9.8402 -9.0983 -9.0983 -9.0966 -9.0966 -9.0875 -9.0875 -8.7542 -8.7542 -8.6787 -8.6787 -8.6770 -8.6770 1.2978 1.2978 1.7489 1.7489 1.8203 1.8203 1.8273 1.8273 2.0482 2.0482 2.2268 2.2268 2.2826 2.2826 3.5499 3.5499 3.6116 3.6116 3.6145 3.6145 3.6906 3.6906 3.8266 3.8266 3.8426 3.8426 4.1538 4.1538 4.1786 4.1786 4.9010 4.9010 4.9416 4.9416 5.4442 5.4442 5.5615 5.5615 5.5672 5.5672 5.6511 5.6511 6.0490 6.0490 6.0651 6.0651 6.4343 6.4343 6.8411 6.8411 6.8456 6.8456 6.8548 6.8548 7.0491 7.0491 7.3452 7.3452 7.5986 7.5986 7.6073 7.6073 7.7931 7.7931 8.0466 8.0466 8.0470 8.0470 12.9245 12.9245 15.6409 15.6409 16.2980 16.2980 16.3241 16.3241 16.7028 16.7028 16.7180 16.7180 17.3181 17.3181 17.3246 17.3246 k = 0.1500-0.0866 0.1225 ( 4653 PWs) bands (ev): -11.2800 -11.2800 -9.8517 -9.8517 -9.1021 -9.1021 -9.1004 -9.1004 -9.0896 -9.0896 -8.7646 -8.7646 -8.6758 -8.6758 -8.6741 -8.6741 1.3235 1.3235 1.7588 1.7588 1.8411 1.8411 1.8484 1.8484 2.0622 2.0622 2.2463 2.2463 2.3127 2.3127 3.5438 3.5438 3.6078 3.6078 3.6145 3.6145 3.7037 3.7037 3.8375 3.8375 3.8567 3.8567 4.1474 4.1474 4.1764 4.1764 4.8953 4.8953 4.9443 4.9443 5.4103 5.4103 5.5450 5.5450 5.5497 5.5497 5.5989 5.5989 6.0589 6.0589 6.0750 6.0750 6.4015 6.4015 6.8082 6.8082 6.8187 6.8187 6.8747 6.8747 7.0537 7.0537 7.2967 7.2967 7.5959 7.5959 7.6043 7.6043 7.7354 7.7354 8.0307 8.0307 8.0309 8.0309 12.9971 12.9971 15.6382 15.6382 16.3268 16.3268 16.3518 16.3518 16.7232 16.7232 16.7845 16.7845 17.3896 17.3896 17.3949 17.3949 k = 0.1625-0.0938 0.1327 ( 4649 PWs) bands (ev): -11.2648 -11.2648 -9.8643 -9.8643 -9.1059 -9.1059 -9.1043 -9.1043 -9.0918 -9.0918 -8.7757 -8.7757 -8.6728 -8.6728 -8.6711 -8.6711 1.3510 1.3510 1.7700 1.7700 1.8633 1.8633 1.8708 1.8708 2.0768 2.0768 2.2673 2.2673 2.3452 2.3452 3.5374 3.5374 3.6032 3.6032 3.6138 3.6138 3.7175 3.7175 3.8494 3.8494 3.8725 3.8725 4.1405 4.1405 4.1738 4.1738 4.8893 4.8893 4.9476 4.9476 5.3742 5.3742 5.5256 5.5256 5.5305 5.5305 5.5473 5.5473 6.0705 6.0705 6.0865 6.0865 6.3666 6.3666 6.7726 6.7726 6.7832 6.7832 6.8997 6.8997 7.0587 7.0587 7.2452 7.2452 7.5930 7.5930 7.6010 7.6010 7.6749 7.6749 8.0137 8.0137 8.0138 8.0138 13.0734 13.0734 15.6367 15.6367 16.3582 16.3582 16.3819 16.3819 16.7328 16.7328 16.8697 16.8697 17.4656 17.4656 17.4698 17.4698 k = 0.1750-0.1010 0.1429 ( 4649 PWs) bands (ev): -11.2484 -11.2484 -9.8779 -9.8779 -9.1100 -9.1100 -9.1083 -9.1083 -9.0940 -9.0940 -8.7873 -8.7873 -8.6697 -8.6697 -8.6680 -8.6680 1.3801 1.3801 1.7825 1.7825 1.8868 1.8868 1.8947 1.8947 2.0920 2.0920 2.2900 2.2900 2.3800 2.3800 3.5307 3.5307 3.5979 3.5979 3.6124 3.6124 3.7320 3.7320 3.8621 3.8621 3.8901 3.8901 4.1331 4.1331 4.1709 4.1709 4.8830 4.8830 4.9514 4.9514 5.3364 5.3364 5.4887 5.4887 5.5098 5.5098 5.5112 5.5112 6.0839 6.0839 6.0995 6.0995 6.3300 6.3300 6.7347 6.7347 6.7451 6.7451 6.9238 6.9238 7.0639 7.0639 7.1910 7.1910 7.5899 7.5899 7.5973 7.5973 7.6121 7.6121 7.9957 7.9957 7.9961 7.9961 13.1529 13.1529 15.6364 15.6364 16.3918 16.3918 16.4145 16.4145 16.7467 16.7467 16.9579 16.9579 17.5458 17.5458 17.5489 17.5489 k = 0.1875-0.1083 0.1531 ( 4633 PWs) bands (ev): -11.2309 -11.2309 -9.8924 -9.8924 -9.1141 -9.1141 -9.1125 -9.1125 -9.0963 -9.0963 -8.7994 -8.7994 -8.6666 -8.6666 -8.6649 -8.6649 1.4107 1.4107 1.7962 1.7962 1.9116 1.9116 1.9198 1.9198 2.1079 2.1079 2.3143 2.3143 2.4168 2.4168 3.5238 3.5238 3.5918 3.5918 3.6104 3.6104 3.7471 3.7471 3.8758 3.8758 3.9092 3.9092 4.1254 4.1254 4.1677 4.1677 4.8762 4.8762 4.9561 4.9561 5.2968 5.2968 5.4362 5.4362 5.4880 5.4880 5.4892 5.4892 6.0990 6.0990 6.1139 6.1139 6.2918 6.2918 6.6944 6.6944 6.7048 6.7048 6.9465 6.9465 7.0693 7.0693 7.1346 7.1346 7.5468 7.5468 7.5867 7.5867 7.5933 7.5933 7.9768 7.9768 7.9777 7.9777 13.2351 13.2351 15.6369 15.6369 16.4277 16.4277 16.4493 16.4493 16.7648 16.7648 17.0488 17.0488 17.6301 17.6301 17.6321 17.6321 k = 0.2000-0.1155 0.1633 ( 4641 PWs) bands (ev): -11.2124 -11.2124 -9.9081 -9.9081 -9.1183 -9.1183 -9.1168 -9.1168 -9.0985 -9.0985 -8.8120 -8.8120 -8.6633 -8.6633 -8.6617 -8.6617 1.4427 1.4427 1.8112 1.8112 1.9375 1.9375 1.9461 1.9461 2.1245 2.1245 2.3402 2.3402 2.4556 2.4556 3.5164 3.5164 3.5848 3.5848 3.6076 3.6076 3.7627 3.7627 3.8901 3.8901 3.9292 3.9292 4.1173 4.1173 4.1643 4.1643 4.8692 4.8692 4.9614 4.9614 5.2559 5.2559 5.3828 5.3828 5.4650 5.4650 5.4673 5.4673 6.1153 6.1153 6.1293 6.1293 6.2523 6.2523 6.6521 6.6521 6.6623 6.6623 6.9670 6.9670 7.0750 7.0750 7.0769 7.0769 7.4799 7.4799 7.5831 7.5831 7.5889 7.5889 7.9571 7.9571 7.9585 7.9585 13.3197 13.3197 15.6382 15.6382 16.4655 16.4655 16.4862 16.4862 16.7869 16.7869 17.1419 17.1419 17.7181 17.7181 17.7191 17.7191 k = 0.2125-0.1227 0.1735 ( 4633 PWs) bands (ev): -11.1927 -11.1927 -9.9247 -9.9247 -9.1226 -9.1226 -9.1211 -9.1211 -9.1007 -9.1007 -8.8249 -8.8249 -8.6601 -8.6601 -8.6584 -8.6584 1.4759 1.4759 1.8273 1.8273 1.9644 1.9644 1.9734 1.9734 2.1419 2.1419 2.3677 2.3677 2.4963 2.4963 3.5086 3.5086 3.5771 3.5771 3.6041 3.6041 3.7792 3.7792 3.9052 3.9052 3.9497 3.9497 4.1089 4.1089 4.1610 4.1610 4.8618 4.8618 4.9678 4.9678 5.2137 5.2137 5.3296 5.3296 5.4414 5.4414 5.4447 5.4447 6.1329 6.1329 6.1452 6.1452 6.2124 6.2124 6.6081 6.6081 6.6180 6.6180 6.9784 6.9784 7.0252 7.0252 7.0808 7.0808 7.4115 7.4115 7.5793 7.5793 7.5841 7.5841 7.9367 7.9367 7.9388 7.9388 13.4062 13.4062 15.6399 15.6399 16.5052 16.5052 16.5249 16.5249 16.8131 16.8131 17.2369 17.2369 17.8096 17.8096 17.8097 17.8097 k = 0.2250-0.1299 0.1837 ( 4640 PWs) bands (ev): -11.1721 -11.1721 -9.9423 -9.9423 -9.1269 -9.1269 -9.1254 -9.1254 -9.1029 -9.1029 -8.8381 -8.8381 -8.6568 -8.6568 -8.6552 -8.6552 1.5101 1.5101 1.8444 1.8444 1.9922 1.9922 2.0017 2.0017 2.1599 2.1599 2.3967 2.3967 2.5387 2.5387 3.5002 3.5002 3.5686 3.5686 3.6000 3.6000 3.7963 3.7963 3.9209 3.9209 3.9697 3.9697 4.1004 4.1004 4.1582 4.1582 4.8542 4.8542 4.9751 4.9751 5.1705 5.1705 5.2771 5.2771 5.4172 5.4172 5.4218 5.4218 6.1513 6.1513 6.1547 6.1547 6.1787 6.1787 6.5628 6.5628 6.5723 6.5723 6.9409 6.9409 7.0194 7.0194 7.0866 7.0866 7.3417 7.3417 7.5752 7.5752 7.5789 7.5789 7.9157 7.9157 7.9187 7.9187 13.4942 13.4942 15.6419 15.6419 16.5465 16.5465 16.5652 16.5652 16.8431 16.8431 17.3333 17.3333 17.9035 17.9035 17.9045 17.9045 k = 0.2375-0.1371 0.1939 ( 4640 PWs) bands (ev): -11.1505 -11.1505 -9.9609 -9.9609 -9.1313 -9.1313 -9.1298 -9.1298 -9.1050 -9.1050 -8.8515 -8.8515 -8.6535 -8.6535 -8.6519 -8.6519 1.5452 1.5452 1.8626 1.8626 2.0207 2.0207 2.0307 2.0307 2.1788 2.1788 2.4272 2.4272 2.5827 2.5827 3.4912 3.4912 3.5593 3.5593 3.5954 3.5954 3.8140 3.8140 3.9370 3.9370 3.9880 3.9880 4.0920 4.0920 4.1566 4.1566 4.8462 4.8462 4.9837 4.9837 5.1266 5.1266 5.2256 5.2256 5.3928 5.3928 5.3986 5.3986 6.1240 6.1240 6.1701 6.1701 6.1847 6.1847 6.5167 6.5167 6.5256 6.5256 6.8793 6.8793 7.0351 7.0351 7.0924 7.0924 7.2709 7.2709 7.5709 7.5709 7.5732 7.5732 7.8943 7.8943 7.8982 7.8982 13.5835 13.5835 15.6438 15.6438 16.5892 16.5892 16.6070 16.6070 16.8769 16.8769 17.4305 17.4305 18.0003 18.0003 18.0024 18.0024 k = 0.2500-0.1443 0.2041 ( 4632 PWs) bands (ev): -11.1279 -11.1279 -9.9805 -9.9805 -9.1355 -9.1355 -9.1341 -9.1341 -9.1070 -9.1070 -8.8651 -8.8651 -8.6503 -8.6503 -8.6487 -8.6487 1.5809 1.5809 1.8816 1.8816 2.0498 2.0498 2.0604 2.0604 2.1986 2.1986 2.4592 2.4592 2.6284 2.6284 3.4813 3.4813 3.5495 3.5495 3.5903 3.5903 3.8324 3.8324 3.9535 3.9535 4.0028 4.0028 4.0838 4.0838 4.1577 4.1577 4.8380 4.8380 4.9936 4.9936 5.0821 5.0821 5.1756 5.1756 5.3684 5.3684 5.3756 5.3756 6.0827 6.0827 6.1883 6.1883 6.2000 6.2000 6.4710 6.4710 6.4789 6.4789 6.8141 6.8141 7.0519 7.0519 7.0978 7.0978 7.1997 7.1997 7.5662 7.5662 7.5670 7.5670 7.8725 7.8725 7.8774 7.8774 13.6736 13.6736 15.6453 15.6453 16.6329 16.6329 16.6498 16.6498 16.9144 16.9144 17.5281 17.5281 18.1000 18.1000 18.1030 18.1030 k = 0.2625-0.1516 0.2143 ( 4656 PWs) bands (ev): -11.1044 -11.1044 -10.0011 -10.0011 -9.1398 -9.1398 -9.1384 -9.1384 -9.1088 -9.1088 -8.8787 -8.8787 -8.6471 -8.6471 -8.6456 -8.6456 1.6171 1.6171 1.9012 1.9012 2.0793 2.0793 2.0905 2.0905 2.2193 2.2193 2.4927 2.4927 2.6754 2.6754 3.4700 3.4700 3.5391 3.5391 3.5846 3.5846 3.8515 3.8515 3.9697 3.9697 4.0119 4.0119 4.0763 4.0763 4.1630 4.1630 4.8293 4.8293 5.0049 5.0049 5.0374 5.0374 5.1275 5.1275 5.3443 5.3443 5.3529 5.3529 6.0407 6.0407 6.2043 6.2043 6.2132 6.2132 6.4277 6.4277 6.4338 6.4338 6.7473 6.7473 7.0682 7.0682 7.0982 7.0982 7.1327 7.1327 7.5603 7.5603 7.5611 7.5611 7.8505 7.8505 7.8565 7.8565 13.7643 13.7643 15.6463 15.6463 16.6775 16.6775 16.6935 16.6935 16.9555 16.9555 17.6253 17.6253 18.2023 18.2023 18.2061 18.2061 k = 0.2750-0.1588 0.2245 ( 4656 PWs) bands (ev): -11.0799 -11.0799 -10.0226 -10.0226 -9.1439 -9.1439 -9.1426 -9.1426 -9.1105 -9.1105 -8.8924 -8.8924 -8.6439 -8.6439 -8.6425 -8.6425 1.6536 1.6536 1.9214 1.9214 2.1091 2.1091 2.1209 2.1209 2.2410 2.2410 2.5276 2.5276 2.7239 2.7239 3.4572 3.4572 3.5287 3.5287 3.5785 3.5785 3.8711 3.8711 3.9851 3.9851 4.0139 4.0139 4.0702 4.0702 4.1736 4.1736 4.8201 4.8201 4.9928 4.9928 5.0172 5.0172 5.0822 5.0822 5.3209 5.3209 5.3309 5.3309 5.9990 5.9990 6.2144 6.2144 6.2192 6.2192 6.3914 6.3914 6.3943 6.3943 6.6797 6.6797 7.0478 7.0478 7.0835 7.0835 7.1159 7.1159 7.5530 7.5530 7.5556 7.5556 7.8283 7.8283 7.8357 7.8357 13.8551 13.8551 15.6464 15.6464 16.7226 16.7226 16.7377 16.7377 17.0000 17.0000 17.7216 17.7216 18.3068 18.3068 18.3115 18.3115 k = 0.2875-0.1660 0.2347 ( 4660 PWs) bands (ev): -11.0546 -11.0546 -10.0451 -10.0451 -9.1480 -9.1480 -9.1467 -9.1467 -9.1120 -9.1120 -8.9059 -8.9059 -8.6409 -8.6409 -8.6395 -8.6395 1.6902 1.6902 1.9419 1.9419 2.1390 2.1390 2.1515 2.1515 2.2638 2.2638 2.5640 2.5640 2.7736 2.7736 3.4424 3.4424 3.5184 3.5184 3.5720 3.5720 3.8912 3.8912 3.9982 3.9982 4.0086 4.0086 4.0667 4.0667 4.1891 4.1891 4.8102 4.8102 4.9488 4.9488 5.0222 5.0222 5.0484 5.0484 5.2983 5.2983 5.3098 5.3098 5.9580 5.9580 6.2103 6.2103 6.2113 6.2113 6.3675 6.3675 6.3696 6.3696 6.6117 6.6117 6.9756 6.9756 7.0978 7.0978 7.1204 7.1204 7.5451 7.5451 7.5497 7.5497 7.8063 7.8063 7.8151 7.8151 13.9458 13.9458 15.6453 15.6453 16.7679 16.7679 16.7822 16.7822 17.0479 17.0479 17.8162 17.8162 18.4133 18.4133 18.4189 18.4189 k = 0.3000-0.1732 0.2449 ( 4652 PWs) bands (ev): -11.0285 -11.0285 -10.0685 -10.0685 -9.1519 -9.1519 -9.1507 -9.1507 -9.1132 -9.1132 -8.9194 -8.9194 -8.6379 -8.6379 -8.6366 -8.6366 1.7266 1.7266 1.9625 1.9625 2.1688 2.1688 2.1820 2.1820 2.2877 2.2877 2.6017 2.6017 2.8244 2.8244 3.4253 3.4253 3.5086 3.5086 3.5652 3.5652 3.9118 3.9118 3.9968 3.9968 4.0068 4.0068 4.0683 4.0683 4.2082 4.2082 4.7989 4.7989 4.9063 4.9063 4.9907 4.9907 5.0562 5.0562 5.2769 5.2769 5.2900 5.2900 5.9182 5.9182 6.1824 6.1824 6.1882 6.1882 6.3604 6.3604 6.3666 6.3666 6.5436 6.5436 6.9016 6.9016 7.1111 7.1111 7.1262 7.1262 7.5366 7.5366 7.5432 7.5432 7.7845 7.7845 7.7949 7.7949 14.0361 14.0361 15.6428 15.6428 16.8131 16.8131 16.8265 16.8265 17.0991 17.0991 17.9083 17.9083 18.5216 18.5216 18.5280 18.5280 k = 0.3125-0.1804 0.2552 ( 4644 PWs) bands (ev): -11.0016 -11.0016 -10.0928 -10.0928 -9.1557 -9.1557 -9.1546 -9.1546 -9.1142 -9.1142 -8.9327 -8.9327 -8.6350 -8.6350 -8.6338 -8.6338 1.7626 1.7626 1.9830 1.9830 2.1984 2.1984 2.2123 2.2123 2.3130 2.3130 2.6407 2.6407 2.8763 2.8763 3.4055 3.4055 3.4994 3.4994 3.5580 3.5580 3.9323 3.9323 3.9800 3.9800 4.0090 4.0090 4.0764 4.0764 4.2294 4.2294 4.7847 4.7847 4.8670 4.8670 4.9531 4.9531 5.0753 5.0753 5.2570 5.2570 5.2717 5.2717 5.8798 5.8798 6.1409 6.1409 6.1487 6.1487 6.3691 6.3691 6.3771 6.3771 6.4759 6.4759 6.8272 6.8272 7.1233 7.1233 7.1322 7.1322 7.5274 7.5274 7.5362 7.5362 7.7633 7.7633 7.7752 7.7752 14.1258 14.1258 15.6387 15.6387 16.8578 16.8578 16.8705 16.8705 17.1534 17.1534 17.9970 17.9970 18.6313 18.6313 18.6384 18.6384 k = 0.3250-0.1876 0.2654 ( 4648 PWs) bands (ev): -10.9740 -10.9740 -10.1179 -10.1179 -9.1594 -9.1594 -9.1583 -9.1583 -9.1150 -9.1150 -8.9457 -8.9457 -8.6323 -8.6323 -8.6311 -8.6311 1.7980 1.7980 2.0030 2.0030 2.2276 2.2276 2.2421 2.2421 2.3396 2.3396 2.6810 2.6810 2.9292 2.9292 3.3830 3.3830 3.4909 3.4909 3.5505 3.5505 3.9478 3.9478 3.9637 3.9637 4.0061 4.0061 4.0894 4.0894 4.2513 4.2513 4.7645 4.7645 4.8343 4.8343 4.9178 4.9178 5.0977 5.0977 5.2388 5.2388 5.2553 5.2553 5.8433 5.8433 6.0925 6.0925 6.1008 6.1008 6.3842 6.3842 6.3944 6.3944 6.4107 6.4107 6.7525 6.7525 7.1345 7.1345 7.1382 7.1382 7.5175 7.5175 7.5284 7.5284 7.7427 7.7427 7.7562 7.7562 14.2145 14.2145 15.6325 15.6325 16.9018 16.9018 16.9136 16.9136 17.2106 17.2106 18.0815 18.0815 18.7421 18.7421 18.7499 18.7499 k = 0.3375-0.1949 0.2756 ( 4648 PWs) bands (ev): -10.9457 -10.9457 -10.1439 -10.1439 -9.1629 -9.1629 -9.1618 -9.1618 -9.1154 -9.1154 -8.9585 -8.9585 -8.6297 -8.6297 -8.6285 -8.6285 1.8326 1.8326 2.0223 2.0223 2.2563 2.2563 2.2713 2.2713 2.3677 2.3677 2.7226 2.7226 2.9829 2.9829 3.3578 3.3578 3.4832 3.4832 3.5427 3.5427 3.9288 3.9288 3.9780 3.9780 4.0004 4.0004 4.1050 4.1050 4.2731 4.2731 4.7356 4.7356 4.8111 4.8111 4.8855 4.8855 5.1231 5.1231 5.2228 5.2228 5.2411 5.2411 5.8090 5.8090 6.0408 6.0408 6.0488 6.0488 6.3404 6.3404 6.4091 6.4091 6.4148 6.4148 6.6779 6.6779 7.1441 7.1441 7.1446 7.1446 7.5070 7.5070 7.5198 7.5198 7.7232 7.7232 7.7381 7.7381 14.3020 14.3020 15.6241 15.6241 16.9446 16.9446 16.9556 16.9556 17.2707 17.2707 18.1606 18.1606 18.8536 18.8536 18.8620 18.8620 k = 0.3500-0.2021 0.2858 ( 4648 PWs) bands (ev): -10.9167 -10.9167 -10.1707 -10.1707 -9.1662 -9.1662 -9.1652 -9.1652 -9.1155 -9.1155 -8.9709 -8.9709 -8.6272 -8.6272 -8.6261 -8.6261 1.8661 1.8661 2.0407 2.0407 2.2842 2.2842 2.2996 2.2996 2.3972 2.3972 2.7653 2.7653 3.0372 3.0372 3.3299 3.3299 3.4762 3.4762 3.5346 3.5346 3.8995 3.8995 3.9928 3.9928 3.9990 3.9990 4.1214 4.1214 4.2941 4.2941 4.7003 4.7003 4.7955 4.7955 4.8564 4.8564 5.1510 5.1510 5.2091 5.2091 5.2298 5.2298 5.7773 5.7773 5.9877 5.9877 5.9951 5.9951 6.2757 6.2757 6.4315 6.4315 6.4366 6.4366 6.6034 6.6034 7.1498 7.1498 7.1537 7.1537 7.4957 7.4957 7.5103 7.5103 7.7049 7.7049 7.7210 7.7210 14.3881 14.3881 15.6133 15.6133 16.9860 16.9860 16.9962 16.9962 17.3335 17.3335 18.2331 18.2331 18.9654 18.9654 18.9745 18.9745 k = 0.3625-0.2093 0.2960 ( 4644 PWs) bands (ev): -10.8871 -10.8871 -10.1983 -10.1983 -9.1692 -9.1692 -9.1683 -9.1683 -9.1152 -9.1152 -8.9829 -8.9829 -8.6249 -8.6249 -8.6239 -8.6239 1.8983 1.8983 2.0579 2.0579 2.3113 2.3113 2.3267 2.3267 2.4282 2.4282 2.8092 2.8092 3.0922 3.0922 3.2996 3.2996 3.4700 3.4700 3.5263 3.5263 3.8664 3.8664 3.9838 3.9838 4.0203 4.0203 4.1377 4.1377 4.3139 4.3139 4.6628 4.6628 4.7838 4.7838 4.8306 4.8306 5.1795 5.1795 5.1981 5.1981 5.2237 5.2237 5.7484 5.7484 5.9342 5.9342 5.9407 5.9407 6.2122 6.2122 6.4548 6.4548 6.4580 6.4580 6.5301 6.5301 7.1554 7.1554 7.1619 7.1619 7.4839 7.4839 7.4999 7.4999 7.6882 7.6882 7.7051 7.7051 14.4725 14.4725 15.5999 15.5999 17.0257 17.0257 17.0350 17.0350 17.3988 17.3988 18.2977 18.2977 19.0770 19.0770 19.0866 19.0866 k = 0.3750-0.2165 0.3062 ( 4652 PWs) bands (ev): -10.8570 -10.8570 -10.2266 -10.2266 -9.1721 -9.1721 -9.1713 -9.1713 -9.1145 -9.1145 -8.9945 -8.9945 -8.6228 -8.6228 -8.6218 -8.6218 1.9290 1.9290 2.0736 2.0736 2.3372 2.3372 2.3524 2.3524 2.4607 2.4607 2.8541 2.8541 3.1476 3.1476 3.2669 3.2669 3.4644 3.4644 3.5178 3.5178 3.8301 3.8301 3.9732 3.9732 4.0413 4.0413 4.1533 4.1533 4.3320 4.3320 4.6254 4.6254 4.7741 4.7741 4.8080 4.8080 5.1900 5.1900 5.1976 5.1976 5.2339 5.2339 5.7227 5.7227 5.8811 5.8811 5.8864 5.8864 6.1505 6.1505 6.4490 6.4490 6.4783 6.4783 6.4874 6.4874 7.1608 7.1608 7.1690 7.1690 7.4716 7.4716 7.4885 7.4885 7.6732 7.6732 7.6906 7.6906 14.5551 14.5551 15.5835 15.5835 17.0632 17.0632 17.0717 17.0717 17.4665 17.4665 18.3530 18.3530 19.1879 19.1879 19.1980 19.1980 k = 0.3875-0.2237 0.3164 ( 4648 PWs) bands (ev): -10.8264 -10.8264 -10.2555 -10.2555 -9.1747 -9.1747 -9.1739 -9.1739 -9.1135 -9.1135 -9.0057 -9.0057 -8.6208 -8.6208 -8.6199 -8.6199 1.9581 1.9581 2.0877 2.0877 2.3618 2.3618 2.3766 2.3766 2.4948 2.4948 2.9000 2.9000 3.2033 3.2033 3.2322 3.2322 3.4596 3.4596 3.5091 3.5091 3.7911 3.7911 3.9607 3.9607 4.0620 4.0620 4.1678 4.1678 4.3484 4.3484 4.5897 4.5897 4.7655 4.7655 4.7885 4.7885 5.1852 5.1852 5.1998 5.1998 5.2664 5.2664 5.7003 5.7003 5.8291 5.8291 5.8328 5.8328 6.0911 6.0911 6.3784 6.3784 6.5013 6.5013 6.5063 6.5063 7.1658 7.1658 7.1753 7.1753 7.4590 7.4590 7.4763 7.4763 7.6600 7.6600 7.6774 7.6774 14.6355 14.6355 15.5642 15.5642 17.0983 17.0983 17.1060 17.1060 17.5362 17.5362 18.3973 18.3973 19.2973 19.2973 19.3079 19.3079 k = 0.4000-0.2309 0.3266 ( 4648 PWs) bands (ev): -10.7953 -10.7953 -10.2851 -10.2851 -9.1770 -9.1770 -9.1764 -9.1764 -9.1120 -9.1120 -9.0163 -9.0163 -8.6190 -8.6190 -8.6182 -8.6182 1.9852 1.9852 2.1001 2.1001 2.3849 2.3849 2.3989 2.3989 2.5304 2.5304 2.9467 2.9467 3.1955 3.1955 3.2590 3.2590 3.4557 3.4557 3.5003 3.5003 3.7498 3.7498 3.9456 3.9456 4.0821 4.0821 4.1806 4.1806 4.3630 4.3630 4.5566 4.5566 4.7577 4.7577 4.7719 4.7719 5.1837 5.1837 5.2001 5.2001 5.3068 5.3068 5.6813 5.6813 5.7788 5.7788 5.7803 5.7803 6.0344 6.0344 6.3054 6.3054 6.5234 6.5234 6.5272 6.5272 7.1706 7.1706 7.1806 7.1806 7.4464 7.4464 7.4635 7.4635 7.6489 7.6489 7.6656 7.6656 14.7136 14.7136 15.5416 15.5416 17.1306 17.1306 17.1375 17.1375 17.6079 17.6079 18.4291 18.4291 19.3920 19.3920 19.4041 19.4041 k = 0.4125-0.2382 0.3368 ( 4648 PWs) bands (ev): -10.7638 -10.7638 -10.3153 -10.3153 -9.1792 -9.1792 -9.1786 -9.1786 -9.1100 -9.1100 -9.0265 -9.0265 -8.6174 -8.6174 -8.6167 -8.6167 2.0104 2.0104 2.1105 2.1105 2.4061 2.4061 2.4191 2.4191 2.5675 2.5675 2.9940 2.9940 3.1575 3.1575 3.3146 3.3146 3.4525 3.4525 3.4914 3.4914 3.7067 3.7067 3.9275 3.9275 4.1013 4.1013 4.1915 4.1915 4.3755 4.3755 4.5267 4.5267 4.7505 4.7505 4.7580 4.7580 5.1855 5.1855 5.2024 5.2024 5.3514 5.3514 5.6649 5.6649 5.7296 5.7296 5.7318 5.7318 5.9807 5.9807 6.2328 6.2328 6.5441 6.5441 6.5471 6.5471 7.1751 7.1751 7.1851 7.1851 7.4341 7.4341 7.4504 7.4504 7.6396 7.6396 7.6552 7.6552 14.7892 14.7892 15.5158 15.5158 17.1599 17.1599 17.1660 17.1660 17.6811 17.6811 18.4470 18.4470 19.4010 19.4010 19.4725 19.4725 k = 0.4250-0.2454 0.3470 ( 4664 PWs) bands (ev): -10.7320 -10.7320 -10.3459 -10.3459 -9.1810 -9.1810 -9.1805 -9.1805 -9.1076 -9.1076 -9.0361 -9.0361 -8.6160 -8.6160 -8.6154 -8.6154 2.0333 2.0333 2.1188 2.1188 2.4253 2.4253 2.4370 2.4370 2.6059 2.6059 3.0409 3.0409 3.1190 3.1190 3.3696 3.3696 3.4503 3.4503 3.4823 3.4823 3.6625 3.6625 3.9056 3.9056 4.1194 4.1194 4.2002 4.2002 4.3862 4.3862 4.5008 4.5008 4.7438 4.7438 4.7467 4.7467 5.1908 5.1908 5.2072 5.2072 5.3992 5.3992 5.6481 5.6481 5.6813 5.6813 5.6919 5.6919 5.9304 5.9304 6.1608 6.1608 6.5632 6.5632 6.5655 6.5655 7.1791 7.1791 7.1887 7.1887 7.4225 7.4225 7.4375 7.4375 7.6321 7.6321 7.6461 7.6461 14.8622 14.8622 15.4865 15.4865 17.1860 17.1860 17.1911 17.1911 17.7556 17.7556 18.4498 18.4498 19.4063 19.4063 19.4403 19.4403 k = 0.4375-0.2526 0.3572 ( 4672 PWs) bands (ev): -10.7000 -10.7000 -10.3771 -10.3771 -9.1826 -9.1826 -9.1821 -9.1821 -9.1046 -9.1046 -9.0452 -9.0452 -8.6148 -8.6148 -8.6143 -8.6143 2.0540 2.0540 2.1249 2.1249 2.4422 2.4422 2.4523 2.4523 2.6456 2.6456 3.0664 3.0664 3.1012 3.1012 3.4235 3.4235 3.4491 3.4491 3.4726 3.4726 3.6184 3.6184 3.8797 3.8797 4.1364 4.1364 4.2062 4.2062 4.3951 4.3951 4.4790 4.4790 4.7377 4.7377 4.7379 4.7379 5.1990 5.1990 5.2144 5.2144 5.4499 5.4499 5.6216 5.6216 5.6361 5.6361 5.6692 5.6692 5.8839 5.8839 6.0898 6.0898 6.5803 6.5803 6.5819 6.5819 7.1829 7.1829 7.1915 7.1915 7.4119 7.4119 7.4252 7.4252 7.6262 7.6262 7.6384 7.6384 14.9324 14.9324 15.4536 15.4536 17.2085 17.2085 17.2128 17.2128 17.8309 17.8309 18.4375 18.4375 19.4085 19.4085 19.4149 19.4149 k = 0.4500-0.2598 0.3674 ( 4668 PWs) bands (ev): -10.6676 -10.6676 -10.4086 -10.4086 -9.1838 -9.1838 -9.1835 -9.1835 -9.1012 -9.1012 -9.0537 -9.0537 -8.6137 -8.6137 -8.6134 -8.6134 2.0723 2.0723 2.1288 2.1288 2.4565 2.4565 2.4650 2.4650 2.6865 2.6865 3.0305 3.0305 3.1444 3.1444 3.4490 3.4490 3.4616 3.4616 3.4739 3.4739 3.5775 3.5775 3.8495 3.8495 4.1519 4.1519 4.2096 4.2096 4.4026 4.4026 4.4616 4.4616 4.7309 4.7309 4.7327 4.7327 5.2098 5.2098 5.2235 5.2235 5.5025 5.5025 5.5873 5.5873 5.5956 5.5956 5.6631 5.6631 5.8415 5.8415 6.0199 6.0199 6.5949 6.5949 6.5960 6.5960 7.1862 7.1862 7.1936 7.1936 7.4029 7.4029 7.4140 7.4140 7.6219 7.6219 7.6319 7.6319 14.9996 14.9996 15.4173 15.4173 17.2273 17.2273 17.2308 17.2308 17.9065 17.9065 18.4107 18.4107 19.3984 19.3984 19.4082 19.4082 k = 0.4625-0.2670 0.3776 ( 4668 PWs) bands (ev): -10.6352 -10.6352 -10.4404 -10.4404 -9.1848 -9.1848 -9.1846 -9.1846 -9.0972 -9.0972 -9.0616 -9.0616 -8.6129 -8.6129 -8.6127 -8.6127 2.0881 2.0881 2.1303 2.1303 2.4682 2.4682 2.4747 2.4747 2.7283 2.7283 2.9884 2.9884 3.1934 3.1934 3.4468 3.4468 3.4501 3.4501 3.5031 3.5031 3.5601 3.5601 3.8151 3.8151 4.1660 4.1660 4.2103 4.2103 4.4088 4.4088 4.4481 4.4481 4.7260 4.7260 4.7283 4.7283 5.2221 5.2221 5.2334 5.2334 5.5467 5.5467 5.5546 5.5546 5.5711 5.5711 5.6652 5.6652 5.8040 5.8040 5.9513 5.9513 6.6067 6.6067 6.6075 6.6075 7.1890 7.1890 7.1948 7.1948 7.3957 7.3957 7.4043 7.4043 7.6190 7.6190 7.6266 7.6266 15.0637 15.0637 15.3774 15.3774 17.2422 17.2422 17.2448 17.2448 17.9818 17.9818 18.3713 18.3713 19.3896 19.3896 19.4058 19.4058 k = 0.4750-0.2742 0.3878 ( 4668 PWs) bands (ev): -10.6026 -10.6026 -10.4726 -10.4726 -9.1855 -9.1855 -9.1854 -9.1854 -9.0927 -9.0927 -9.0690 -9.0690 -8.6124 -8.6124 -8.6122 -8.6122 2.1014 2.1014 2.1295 2.1295 2.4770 2.4770 2.4814 2.4814 2.7710 2.7710 2.9452 2.9452 3.2429 3.2429 3.4223 3.4223 3.4525 3.4525 3.4877 3.4877 3.5957 3.5957 3.7767 3.7767 4.1783 4.1783 4.2084 4.2084 4.4141 4.4141 4.4378 4.4378 4.7228 4.7228 4.7249 4.7249 5.2343 5.2343 5.2425 5.2425 5.5279 5.5279 5.5279 5.5279 5.6179 5.6179 5.6727 5.6727 5.7723 5.7723 5.8846 5.8846 6.6154 6.6154 6.6159 6.6159 7.1914 7.1914 7.1954 7.1954 7.3908 7.3908 7.3966 7.3966 7.6173 7.6173 7.6225 7.6225 15.1245 15.1245 15.3339 15.3339 17.2531 17.2531 17.2548 17.2548 18.0562 18.0562 18.3212 18.3212 19.3868 19.3868 19.4018 19.4018 k = 0.4875-0.2815 0.3980 ( 4688 PWs) bands (ev): -10.5700 -10.5700 -10.5049 -10.5049 -9.1859 -9.1859 -9.1859 -9.1859 -9.0876 -9.0876 -9.0758 -9.0758 -8.6120 -8.6120 -8.6119 -8.6119 2.1122 2.1122 2.1262 2.1262 2.4827 2.4827 2.4850 2.4850 2.8142 2.8142 2.9015 2.9015 3.2921 3.2921 3.3851 3.3851 3.4564 3.4564 3.4719 3.4719 3.6429 3.6429 3.7347 3.7347 4.1888 4.1888 4.2041 4.2041 4.4190 4.4190 4.4301 4.4301 4.7213 4.7213 4.7224 4.7224 5.2441 5.2441 5.2485 5.2485 5.5100 5.5100 5.5100 5.5100 5.6700 5.6700 5.6841 5.6841 5.7512 5.7512 5.8210 5.8210 6.6208 6.6208 6.6210 6.6210 7.1932 7.1932 7.1953 7.1953 7.3883 7.3883 7.3912 7.3912 7.6169 7.6169 7.6195 7.6195 15.1820 15.1820 15.2868 15.2868 17.2598 17.2598 17.2607 17.2607 18.1286 18.1286 18.2627 18.2627 19.3881 19.3881 19.3969 19.3969 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -10.5374 -10.5374 -10.5374 -10.5374 -9.1861 -9.1861 -9.1860 -9.1860 -9.0820 -9.0820 -9.0820 -9.0820 -8.6118 -8.6118 -8.6118 -8.6118 2.1205 2.1205 2.1205 2.1205 2.4854 2.4854 2.4854 2.4854 2.8578 2.8578 2.8578 2.8578 3.3401 3.3401 3.3401 3.3401 3.4623 3.4623 3.4623 3.4623 3.6898 3.6898 3.6898 3.6898 4.1974 4.1974 4.1974 4.1974 4.4241 4.4241 4.4241 4.4241 4.7211 4.7211 4.7211 4.7211 5.2492 5.2492 5.2492 5.2492 5.5036 5.5036 5.5036 5.5036 5.6931 5.6931 5.6931 5.6931 5.7665 5.7665 5.7665 5.7665 6.6226 6.6226 6.6226 6.6226 7.1945 7.1945 7.1945 7.1945 7.3884 7.3884 7.3884 7.3884 7.6176 7.6176 7.6176 7.6176 15.2361 15.2361 15.2361 15.2361 17.2624 17.2624 17.2624 17.2624 18.1979 18.1979 18.1979 18.1979 19.3919 19.3919 19.3919 19.3919 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -10.5374 -10.5374 -10.5374 -10.5374 -9.1861 -9.1861 -9.1860 -9.1860 -9.0820 -9.0820 -9.0820 -9.0820 -8.6118 -8.6118 -8.6118 -8.6118 2.1205 2.1205 2.1205 2.1205 2.4854 2.4854 2.4854 2.4854 2.8578 2.8578 2.8578 2.8578 3.3401 3.3401 3.3401 3.3401 3.4623 3.4623 3.4623 3.4623 3.6898 3.6898 3.6898 3.6898 4.1974 4.1974 4.1974 4.1974 4.4241 4.4241 4.4241 4.4241 4.7211 4.7211 4.7211 4.7211 5.2492 5.2492 5.2492 5.2492 5.5036 5.5036 5.5036 5.5036 5.6931 5.6931 5.6931 5.6931 5.7665 5.7665 5.7665 5.7665 6.6226 6.6226 6.6226 6.6226 7.1945 7.1945 7.1945 7.1945 7.3884 7.3884 7.3884 7.3884 7.6176 7.6176 7.6176 7.6176 15.2361 15.2361 15.2361 15.2361 17.2624 17.2624 17.2624 17.2624 18.1979 18.1979 18.1979 18.1979 19.3919 19.3919 19.3919 19.3919 k = 0.5000-0.2742 0.4185 ( 4692 PWs) bands (ev): -10.5374 -10.5374 -10.5373 -10.5373 -9.1887 -9.1887 -9.1886 -9.1886 -9.0791 -9.0791 -9.0790 -9.0790 -8.6122 -8.6122 -8.6122 -8.6122 2.1194 2.1194 2.1216 2.1216 2.4855 2.4855 2.4862 2.4862 2.8559 2.8559 2.8601 2.8601 3.3387 3.3387 3.3416 3.3416 3.4591 3.4591 3.4602 3.4602 3.6888 3.6888 3.6972 3.6972 4.1919 4.1919 4.2035 4.2035 4.4204 4.4204 4.4238 4.4238 4.7181 4.7181 4.7202 4.7202 5.2414 5.2414 5.2552 5.2552 5.5038 5.5038 5.5054 5.5054 5.6938 5.6938 5.6976 5.6976 5.7670 5.7670 5.7693 5.7693 6.6232 6.6232 6.6236 6.6236 7.1917 7.1917 7.1934 7.1934 7.3871 7.3871 7.3898 7.3898 7.6164 7.6164 7.6181 7.6181 15.2365 15.2365 15.2366 15.2366 17.2590 17.2590 17.2611 17.2611 18.2006 18.2006 18.2016 18.2016 19.3888 19.3888 19.3905 19.3905 k = 0.5000-0.2598 0.4287 ( 4672 PWs) bands (ev): -10.5372 -10.5372 -10.5371 -10.5371 -9.1959 -9.1959 -9.1957 -9.1957 -9.0711 -9.0711 -9.0709 -9.0709 -8.6134 -8.6134 -8.6132 -8.6132 2.1183 2.1183 2.1227 2.1227 2.4864 2.4864 2.4877 2.4877 2.8545 2.8545 2.8630 2.8630 3.3373 3.3373 3.3431 3.3431 3.4513 3.4513 3.4527 3.4527 3.6940 3.6940 3.7101 3.7101 4.1869 4.1869 4.2100 4.2100 4.4126 4.4126 4.4196 4.4196 4.7115 4.7115 4.7156 4.7156 5.2314 5.2314 5.2586 5.2586 5.5062 5.5062 5.5095 5.5095 5.6995 5.6995 5.7054 5.7054 5.7723 5.7723 5.7755 5.7755 6.6254 6.6254 6.6261 6.6261 7.1849 7.1849 7.1882 7.1882 7.3858 7.3858 7.3910 7.3910 7.6144 7.6144 7.6178 7.6178 15.2378 15.2378 15.2381 15.2381 17.2512 17.2512 17.2553 17.2553 18.2098 18.2098 18.2117 18.2117 19.3814 19.3814 19.3845 19.3845 k = 0.5000-0.2454 0.4389 ( 4658 PWs) bands (ev): -10.5370 -10.5370 -10.5368 -10.5368 -9.2059 -9.2059 -9.2057 -9.2057 -9.0596 -9.0596 -9.0593 -9.0593 -8.6152 -8.6152 -8.6150 -8.6150 2.1172 2.1172 2.1239 2.1239 2.4881 2.4881 2.4901 2.4901 2.8535 2.8535 2.8662 2.8662 3.3358 3.3358 3.3443 3.3443 3.4402 3.4402 3.4407 3.4407 3.7045 3.7045 3.7274 3.7274 4.1820 4.1820 4.2166 4.2166 4.4010 4.4010 4.4117 4.4117 4.7020 4.7020 4.7080 4.7080 5.2190 5.2190 5.2589 5.2589 5.5107 5.5107 5.5162 5.5162 5.7080 5.7080 5.7137 5.7137 5.7850 5.7850 5.7870 5.7870 6.6289 6.6289 6.6298 6.6298 7.1744 7.1744 7.1791 7.1791 7.3846 7.3846 7.3921 7.3921 7.6117 7.6117 7.6168 7.6168 15.2400 15.2400 15.2404 15.2404 17.2393 17.2393 17.2453 17.2453 18.2250 18.2250 18.2277 18.2277 19.3703 19.3703 19.3747 19.3747 k = 0.5000-0.2309 0.4491 ( 4658 PWs) bands (ev): -10.5366 -10.5366 -10.5363 -10.5363 -9.2175 -9.2175 -9.2174 -9.2174 -9.0458 -9.0458 -9.0455 -9.0455 -8.6178 -8.6178 -8.6175 -8.6175 2.1162 2.1162 2.1249 2.1249 2.4906 2.4906 2.4932 2.4932 2.8529 2.8529 2.8700 2.8700 3.3341 3.3341 3.3449 3.3449 3.4257 3.4257 3.4276 3.4276 3.7190 3.7190 3.7479 3.7479 4.1769 4.1769 4.2226 4.2226 4.3862 4.3862 4.4004 4.4004 4.6908 4.6908 4.6985 4.6985 5.2042 5.2042 5.2553 5.2553 5.5156 5.5156 5.5251 5.5251 5.7174 5.7174 5.7223 5.7223 5.8056 5.8056 5.8060 5.8060 6.6335 6.6335 6.6345 6.6345 7.1604 7.1604 7.1661 7.1661 7.3834 7.3834 7.3930 7.3930 7.6081 7.6081 7.6149 7.6149 15.2431 15.2431 15.2436 15.2436 17.2239 17.2239 17.2317 17.2317 18.2456 18.2456 18.2490 18.2490 19.3566 19.3566 19.3617 19.3617 k = 0.5000-0.2165 0.4593 ( 4658 PWs) bands (ev): -10.5361 -10.5361 -10.5358 -10.5358 -9.2299 -9.2299 -9.2297 -9.2297 -9.0307 -9.0307 -9.0303 -9.0303 -8.6211 -8.6211 -8.6207 -8.6207 2.1152 2.1152 2.1260 2.1260 2.4937 2.4937 2.4969 2.4969 2.8526 2.8526 2.8741 2.8741 3.3319 3.3319 3.3441 3.3441 3.4093 3.4093 3.4153 3.4153 3.7363 3.7363 3.7707 3.7707 4.1711 4.1711 4.2269 4.2269 4.3693 4.3693 4.3864 4.3864 4.6790 4.6790 4.6885 4.6885 5.1872 5.1872 5.2481 5.2481 5.5184 5.5184 5.5343 5.5343 5.7281 5.7281 5.7341 5.7341 5.8316 5.8316 5.8337 5.8337 6.6389 6.6389 6.6397 6.6397 7.1431 7.1431 7.1496 7.1496 7.3822 7.3822 7.3936 7.3936 7.6038 7.6038 7.6123 7.6123 15.2469 15.2469 15.2476 15.2476 17.2056 17.2056 17.2150 17.2150 18.2709 18.2709 18.2747 18.2747 19.3410 19.3410 19.3465 19.3465 k = 0.5000-0.2021 0.4695 ( 4660 PWs) bands (ev): -10.5356 -10.5356 -10.5351 -10.5351 -9.2424 -9.2424 -9.2423 -9.2423 -9.0148 -9.0148 -9.0144 -9.0144 -8.6251 -8.6251 -8.6246 -8.6246 2.1142 2.1142 2.1270 2.1270 2.4976 2.4976 2.5013 2.5013 2.8526 2.8526 2.8787 2.8787 3.3282 3.3282 3.3404 3.3404 3.3933 3.3933 3.4055 3.4055 3.7557 3.7557 3.7951 3.7951 4.1640 4.1640 4.2276 4.2276 4.3523 4.3523 4.3704 4.3704 4.6675 4.6675 4.6787 4.6787 5.1688 5.1688 5.2378 5.2378 5.5162 5.5162 5.5409 5.5409 5.7429 5.7429 5.7521 5.7521 5.8636 5.8636 5.8663 5.8663 6.6446 6.6446 6.6450 6.6450 7.1227 7.1227 7.1297 7.1297 7.3812 7.3812 7.3941 7.3941 7.5987 7.5987 7.6089 7.6089 15.2515 15.2515 15.2522 15.2522 17.1852 17.1852 17.1961 17.1961 18.3001 18.3001 18.3041 18.3041 19.3246 19.3246 19.3300 19.3300 k = 0.5000-0.1876 0.4797 ( 4654 PWs) bands (ev): -10.5349 -10.5349 -10.5344 -10.5344 -9.2548 -9.2548 -9.2546 -9.2546 -8.9984 -8.9984 -8.9980 -8.9980 -8.6297 -8.6297 -8.6291 -8.6291 2.1133 2.1133 2.1280 2.1280 2.5020 2.5020 2.5063 2.5063 2.8530 2.8530 2.8836 2.8836 3.3216 3.3216 3.3326 3.3326 3.3801 3.3801 3.4002 3.4002 3.7765 3.7765 3.8207 3.8207 4.1548 4.1548 4.2219 4.2219 4.3384 4.3384 4.3535 4.3535 4.6571 4.6571 4.6700 4.6700 5.1497 5.1497 5.2256 5.2256 5.5080 5.5080 5.5422 5.5422 5.7642 5.7642 5.7774 5.7774 5.9002 5.9002 5.9025 5.9025 6.6500 6.6500 6.6503 6.6503 7.0994 7.0994 7.1068 7.1068 7.3803 7.3803 7.3945 7.3945 7.5929 7.5929 7.6048 7.6048 15.2566 15.2566 15.2575 15.2575 17.1633 17.1633 17.1755 17.1755 18.3323 18.3323 18.3363 18.3363 19.3080 19.3080 19.3130 19.3130 k = 0.5000-0.1732 0.4899 ( 4650 PWs) bands (ev): -10.5342 -10.5342 -10.5337 -10.5337 -9.2667 -9.2667 -9.2666 -9.2666 -8.9818 -8.9818 -8.9815 -8.9815 -8.6350 -8.6350 -8.6343 -8.6343 2.1125 2.1125 2.1289 2.1289 2.5069 2.5069 2.5117 2.5117 2.8535 2.8535 2.8889 2.8889 3.3103 3.3103 3.3207 3.3207 3.3718 3.3718 3.3998 3.3998 3.7981 3.7981 3.8471 3.8471 4.1430 4.1430 4.2077 4.2077 4.3297 4.3297 4.3366 4.3366 4.6482 4.6482 4.6627 4.6627 5.1304 5.1304 5.2122 5.2122 5.4943 5.4943 5.5374 5.5374 5.7924 5.7924 5.8091 5.8091 5.9402 5.9402 5.9413 5.9413 6.6542 6.6542 6.6553 6.6553 7.0735 7.0735 7.0809 7.0809 7.3798 7.3798 7.3951 7.3951 7.5862 7.5862 7.5999 7.5999 15.2623 15.2623 15.2632 15.2632 17.1406 17.1406 17.1540 17.1540 18.3666 18.3666 18.3704 18.3704 19.2920 19.2920 19.2961 19.2961 k = 0.5000-0.1588 0.5001 ( 4644 PWs) bands (ev): -10.5335 -10.5335 -10.5329 -10.5329 -9.2782 -9.2782 -9.2781 -9.2781 -8.9652 -8.9652 -8.9649 -8.9649 -8.6409 -8.6409 -8.6402 -8.6402 2.1117 2.1117 2.1298 2.1298 2.5122 2.5122 2.5175 2.5175 2.8543 2.8543 2.8945 2.8945 3.2945 3.2945 3.3060 3.3060 3.3685 3.3685 3.4031 3.4031 3.8202 3.8202 3.8739 3.8739 4.1281 4.1281 4.1857 4.1857 4.3206 4.3206 4.3260 4.3260 4.6412 4.6412 4.6572 4.6572 5.1116 5.1116 5.1985 5.1985 5.4762 5.4762 5.5273 5.5273 5.8260 5.8260 5.8454 5.8454 5.9823 5.9823 5.9828 5.9828 6.6573 6.6573 6.6593 6.6593 7.0450 7.0450 7.0523 7.0523 7.3798 7.3798 7.3960 7.3960 7.5788 7.5788 7.5942 7.5942 15.2683 15.2683 15.2692 15.2692 17.1177 17.1177 17.1322 17.1322 18.4023 18.4023 18.4056 18.4056 19.2769 19.2769 19.2797 19.2797 k = 0.5000-0.1443 0.5103 ( 4646 PWs) bands (ev): -10.5327 -10.5327 -10.5321 -10.5321 -9.2889 -9.2889 -9.2889 -9.2889 -8.9487 -8.9487 -8.9484 -8.9484 -8.6474 -8.6474 -8.6466 -8.6466 2.1109 2.1109 2.1307 2.1307 2.5177 2.5177 2.5235 2.5235 2.8552 2.8552 2.9004 2.9004 3.2761 3.2761 3.2902 3.2902 3.3690 3.3690 3.4091 3.4091 3.8425 3.8425 3.9008 3.9008 4.1103 4.1103 4.1586 4.1586 4.3057 4.3057 4.3246 4.3246 4.6365 4.6365 4.6534 4.6534 5.0936 5.0936 5.1851 5.1851 5.4552 5.4552 5.5135 5.5135 5.8631 5.8631 5.8844 5.8844 6.0251 6.0251 6.0274 6.0274 6.6588 6.6588 6.6620 6.6620 7.0142 7.0142 7.0213 7.0213 7.3806 7.3806 7.3974 7.3974 7.5707 7.5707 7.5879 7.5879 15.2745 15.2745 15.2755 15.2755 17.0950 17.0950 17.1105 17.1105 18.4385 18.4385 18.4411 18.4411 19.2632 19.2632 19.2644 19.2644 k = 0.5000-0.1299 0.5205 ( 4638 PWs) bands (ev): -10.5320 -10.5320 -10.5312 -10.5312 -9.2989 -9.2989 -9.2989 -9.2989 -8.9325 -8.9325 -8.9322 -8.9322 -8.6544 -8.6544 -8.6535 -8.6535 2.1103 2.1103 2.1314 2.1314 2.5234 2.5234 2.5296 2.5296 2.8562 2.8562 2.9066 2.9066 3.2566 3.2566 3.2741 3.2741 3.3718 3.3718 3.4169 3.4169 3.8645 3.8645 3.9274 3.9274 4.0903 4.0903 4.1292 4.1292 4.2921 4.2921 4.3232 4.3232 4.6343 4.6343 4.6515 4.6515 5.0767 5.0767 5.1723 5.1723 5.4324 5.4324 5.4972 5.4972 5.9019 5.9019 5.9244 5.9244 6.0695 6.0695 6.0736 6.0736 6.6587 6.6587 6.6631 6.6631 6.9814 6.9814 6.9880 6.9880 7.3822 7.3822 7.3995 7.3995 7.5620 7.5620 7.5809 7.5809 15.2808 15.2808 15.2818 15.2818 17.0731 17.0731 17.0895 17.0895 18.4744 18.4744 18.4760 18.4760 19.2505 19.2505 19.2513 19.2513 k = 0.5000-0.1155 0.5307 ( 4640 PWs) bands (ev): -10.5312 -10.5312 -10.5304 -10.5304 -9.3081 -9.3081 -9.3081 -9.3081 -8.9166 -8.9166 -8.9164 -8.9164 -8.6619 -8.6619 -8.6608 -8.6608 2.1097 2.1097 2.1321 2.1321 2.5290 2.5290 2.5356 2.5356 2.8573 2.8573 2.9130 2.9130 3.2369 3.2369 3.2583 3.2583 3.3761 3.3761 3.4262 3.4262 3.8860 3.8860 3.9527 3.9527 4.0690 4.0690 4.1000 4.1000 4.2794 4.2794 4.3201 4.3201 4.6348 4.6348 4.6512 4.6512 5.0612 5.0612 5.1604 5.1604 5.4089 5.4089 5.4798 5.4798 5.9409 5.9409 5.9642 5.9642 6.1151 6.1151 6.1211 6.1211 6.6567 6.6567 6.6624 6.6624 6.9466 6.9466 6.9528 6.9528 7.3850 7.3850 7.4023 7.4023 7.5525 7.5525 7.5733 7.5733 15.2871 15.2871 15.2881 15.2881 17.0524 17.0524 17.0696 17.0696 18.5092 18.5092 18.5095 18.5095 19.2381 19.2381 19.2413 19.2413 k = 0.5000-0.1010 0.5409 ( 4636 PWs) bands (ev): -10.5305 -10.5305 -10.5297 -10.5297 -9.3163 -9.3163 -9.3163 -9.3163 -8.9013 -8.9013 -8.9011 -8.9011 -8.6697 -8.6697 -8.6685 -8.6685 2.1092 2.1092 2.1328 2.1328 2.5345 2.5345 2.5415 2.5415 2.8584 2.8584 2.9195 2.9195 3.2176 3.2176 3.2434 3.2434 3.3815 3.3815 3.4364 3.4364 3.9063 3.9063 3.9747 3.9747 4.0479 4.0479 4.0745 4.0745 4.2671 4.2671 4.3145 4.3145 4.6378 4.6378 4.6524 4.6524 5.0472 5.0472 5.1497 5.1497 5.3856 5.3856 5.4621 5.4621 5.9787 5.9787 6.0026 6.0026 6.1618 6.1618 6.1693 6.1693 6.6530 6.6530 6.6599 6.6599 6.9104 6.9104 6.9158 6.9158 7.3889 7.3889 7.4060 7.4060 7.5426 7.5426 7.5653 7.5653 15.2931 15.2931 15.2941 15.2941 17.0333 17.0333 17.0512 17.0512 18.5410 18.5410 18.5421 18.5421 19.2275 19.2275 19.2334 19.2334 k = 0.5000-0.0866 0.5511 ( 4642 PWs) bands (ev): -10.5298 -10.5298 -10.5290 -10.5290 -9.3236 -9.3236 -9.3235 -9.3235 -8.8867 -8.8867 -8.8866 -8.8866 -8.6777 -8.6777 -8.6764 -8.6764 2.1087 2.1087 2.1333 2.1333 2.5396 2.5396 2.5470 2.5470 2.8595 2.8595 2.9260 2.9260 3.1993 3.1993 3.2296 3.2296 3.3874 3.3874 3.4471 3.4471 3.9243 3.9243 3.9865 3.9865 4.0288 4.0288 4.0602 4.0602 4.2551 4.2551 4.3059 4.3059 4.6429 4.6429 4.6546 4.6546 5.0348 5.0348 5.1403 5.1403 5.3631 5.3631 5.4450 5.4450 6.0144 6.0144 6.0385 6.0385 6.2088 6.2088 6.2178 6.2178 6.6476 6.6476 6.6560 6.6560 6.8729 6.8729 6.8774 6.8774 7.3939 7.3939 7.4106 7.4106 7.5321 7.5321 7.5569 7.5569 15.2986 15.2986 15.2996 15.2996 17.0160 17.0160 17.0345 17.0345 18.5697 18.5697 18.5724 18.5724 19.2186 19.2186 19.2275 19.2275 k = 0.5000-0.0722 0.5613 ( 4642 PWs) bands (ev): -10.5292 -10.5292 -10.5284 -10.5284 -9.3298 -9.3298 -9.3297 -9.3297 -8.8731 -8.8731 -8.8731 -8.8731 -8.6857 -8.6857 -8.6842 -8.6842 2.1083 2.1083 2.1338 2.1338 2.5443 2.5443 2.5520 2.5520 2.8606 2.8606 2.9325 2.9325 3.1825 3.1825 3.2174 3.2174 3.3936 3.3936 3.4580 3.4580 3.9376 3.9376 3.9798 3.9798 4.0145 4.0145 4.0663 4.0663 4.2433 4.2433 4.2944 4.2944 4.6496 4.6496 4.6576 4.6576 5.0241 5.0241 5.1322 5.1322 5.3424 5.3424 5.4292 5.4292 6.0469 6.0469 6.0711 6.0711 6.2557 6.2557 6.2659 6.2659 6.6409 6.6409 6.6509 6.6509 6.8350 6.8350 6.8383 6.8383 7.4001 7.4001 7.4158 7.4158 7.5214 7.5214 7.5484 7.5484 15.3037 15.3037 15.3046 15.3046 17.0009 17.0009 17.0199 17.0199 18.5949 18.5949 18.5993 18.5993 19.2116 19.2116 19.2234 19.2234 k = 0.5000-0.0577 0.5715 ( 4650 PWs) bands (ev): -10.5287 -10.5287 -10.5278 -10.5278 -9.3350 -9.3350 -9.3349 -9.3349 -8.8608 -8.8608 -8.8607 -8.8607 -8.6934 -8.6934 -8.6918 -8.6918 2.1080 2.1080 2.1342 2.1342 2.5483 2.5483 2.5563 2.5563 2.8616 2.8616 2.9386 2.9386 3.1674 3.1674 3.2069 3.2069 3.3995 3.3995 3.4683 3.4683 3.9429 3.9429 3.9629 3.9629 4.0091 4.0091 4.0850 4.0850 4.2318 4.2318 4.2804 4.2804 4.6568 4.6568 4.6609 4.6609 5.0150 5.0150 5.1255 5.1255 5.3242 5.3242 5.4153 5.4153 6.0754 6.0754 6.0995 6.0995 6.3011 6.3011 6.3125 6.3125 6.6335 6.6335 6.6453 6.6453 6.7976 6.7976 6.7992 6.7992 7.4072 7.4072 7.4214 7.4214 7.5106 7.5106 7.5401 7.5401 15.3080 15.3080 15.3089 15.3089 16.9882 16.9882 17.0076 17.0076 18.6162 18.6162 18.6223 18.6223 19.2062 19.2062 19.2210 19.2210 k = 0.5000-0.0433 0.5818 ( 4644 PWs) bands (ev): -10.5283 -10.5283 -10.5274 -10.5274 -9.3390 -9.3390 -9.3389 -9.3389 -8.8503 -8.8503 -8.8500 -8.8500 -8.7004 -8.7004 -8.6987 -8.6987 2.1078 2.1078 2.1345 2.1345 2.5516 2.5516 2.5598 2.5598 2.8624 2.8624 2.9441 2.9441 3.1548 3.1548 3.1984 3.1984 3.4048 3.4048 3.4775 3.4775 3.9399 3.9399 3.9455 3.9455 4.0127 4.0127 4.1070 4.1070 4.2213 4.2213 4.2646 4.2646 4.6638 4.6638 4.6641 4.6641 5.0079 5.0079 5.1202 5.1202 5.3091 5.3091 5.4039 5.4039 6.0989 6.0989 6.1229 6.1229 6.3436 6.3436 6.3559 6.3559 6.6257 6.6257 6.6399 6.6399 6.7615 6.7615 6.7624 6.7624 7.4149 7.4149 7.4271 7.4271 7.5002 7.5002 7.5324 7.5324 15.3115 15.3115 15.3124 15.3124 16.9781 16.9781 16.9979 16.9979 18.6331 18.6331 18.6407 18.6407 19.2024 19.2024 19.2197 19.2197 k = 0.5000-0.0289 0.5920 ( 4640 PWs) bands (ev): -10.5280 -10.5280 -10.5271 -10.5271 -9.3419 -9.3419 -9.3418 -9.3418 -8.8420 -8.8420 -8.8417 -8.8417 -8.7062 -8.7062 -8.7043 -8.7043 2.1076 2.1076 2.1348 2.1348 2.5540 2.5540 2.5625 2.5625 2.8631 2.8631 2.9485 2.9485 3.1452 3.1452 3.1922 3.1922 3.4090 3.4090 3.4848 3.4848 3.9314 3.9314 3.9338 3.9338 4.0200 4.0200 4.1285 4.1285 4.2125 4.2125 4.2483 4.2483 4.6667 4.6667 4.6696 4.6696 5.0026 5.0026 5.1165 5.1165 5.2979 5.2979 5.3954 5.3954 6.1165 6.1165 6.1405 6.1405 6.3804 6.3804 6.3936 6.3936 6.6182 6.6182 6.6356 6.6356 6.7277 6.7277 6.7320 6.7320 7.4224 7.4224 7.4321 7.4321 7.4907 7.4907 7.5260 7.5260 15.3141 15.3141 15.3150 15.3150 16.9707 16.9707 16.9908 16.9908 18.6453 18.6453 18.6542 18.6542 19.2000 19.2000 19.2193 19.2193 k = 0.5000-0.0144 0.6022 ( 4648 PWs) bands (ev): -10.5278 -10.5278 -10.5269 -10.5269 -9.3437 -9.3437 -9.3436 -9.3436 -8.8367 -8.8367 -8.8362 -8.8362 -8.7100 -8.7100 -8.7081 -8.7081 2.1075 2.1075 2.1349 2.1349 2.5555 2.5555 2.5641 2.5641 2.8635 2.8635 2.9514 2.9514 3.1392 3.1392 3.1884 3.1884 3.4116 3.4116 3.4895 3.4895 3.9224 3.9224 3.9289 3.9289 4.0261 4.0261 4.1460 4.1460 4.2065 4.2065 4.2339 4.2339 4.6684 4.6684 4.6734 4.6734 4.9994 4.9994 5.1142 5.1142 5.2908 5.2908 5.3901 5.3901 6.1274 6.1274 6.1514 6.1514 6.4068 6.4068 6.4207 6.4207 6.6122 6.6122 6.6332 6.6332 6.7025 6.7025 6.7107 6.7107 7.4284 7.4284 7.4356 7.4356 7.4834 7.4834 7.5216 7.5216 15.3157 15.3157 15.3166 15.3166 16.9663 16.9663 16.9865 16.9865 18.6527 18.6527 18.6623 18.6623 19.1986 19.1986 19.2192 19.2192 k = 0.5000-0.0000 0.6124 ( 4648 PWs) bands (ev): -10.5278 -10.5278 -10.5268 -10.5268 -9.3443 -9.3443 -9.3442 -9.3442 -8.8348 -8.8348 -8.8343 -8.8343 -8.7114 -8.7114 -8.7094 -8.7094 2.1075 2.1075 2.1349 2.1349 2.5560 2.5560 2.5646 2.5646 2.8636 2.8636 2.9524 2.9524 3.1371 3.1371 3.1872 3.1872 3.4126 3.4126 3.4912 3.4912 3.9193 3.9193 3.9271 3.9271 4.0283 4.0283 4.1535 4.1535 4.2044 4.2044 4.2275 4.2275 4.6690 4.6690 4.6747 4.6747 4.9983 4.9983 5.1134 5.1134 5.2885 5.2885 5.3883 5.3883 6.1311 6.1311 6.1551 6.1551 6.4167 6.4167 6.4308 6.4308 6.6097 6.6097 6.6326 6.6326 6.6928 6.6928 6.7030 6.7030 7.4309 7.4309 7.4369 7.4369 7.4806 7.4806 7.5200 7.5200 15.3162 15.3162 15.3171 15.3171 16.9648 16.9648 16.9850 16.9850 18.6551 18.6551 18.6651 18.6651 19.1981 19.1981 19.2192 19.2192 k = 0.5000-0.0000 0.6124 ( 4648 PWs) bands (ev): -10.5278 -10.5278 -10.5268 -10.5268 -9.3443 -9.3443 -9.3442 -9.3442 -8.8348 -8.8348 -8.8343 -8.8343 -8.7114 -8.7114 -8.7094 -8.7094 2.1075 2.1075 2.1349 2.1349 2.5560 2.5560 2.5646 2.5646 2.8636 2.8636 2.9524 2.9524 3.1371 3.1371 3.1872 3.1872 3.4126 3.4126 3.4912 3.4912 3.9193 3.9193 3.9271 3.9271 4.0283 4.0283 4.1535 4.1535 4.2044 4.2044 4.2275 4.2275 4.6690 4.6690 4.6747 4.6747 4.9983 4.9983 5.1134 5.1134 5.2885 5.2885 5.3883 5.3883 6.1311 6.1311 6.1551 6.1551 6.4167 6.4167 6.4308 6.4308 6.6097 6.6097 6.6326 6.6326 6.6928 6.6928 6.7030 6.7030 7.4309 7.4309 7.4369 7.4369 7.4806 7.4806 7.5200 7.5200 15.3162 15.3162 15.3171 15.3171 16.9648 16.9648 16.9850 16.9850 18.6551 18.6551 18.6651 18.6651 19.1981 19.1981 19.2192 19.2192 k = 0.4911 0.0155 0.6124 ( 4648 PWs) bands (ev): -10.5415 -10.5415 -10.5132 -10.5132 -9.3534 -9.3534 -9.3339 -9.3339 -8.8411 -8.8411 -8.8302 -8.8302 -8.7108 -8.7108 -8.7087 -8.7087 2.1069 2.1069 2.1349 2.1349 2.5460 2.5460 2.5726 2.5726 2.8629 2.8629 2.9528 2.9528 3.1346 3.1346 3.1920 3.1920 3.4050 3.4050 3.4973 3.4973 3.9180 3.9180 3.9300 3.9300 4.0258 4.0258 4.1463 4.1463 4.2031 4.2031 4.2374 4.2374 4.6566 4.6566 4.6874 4.6874 4.9982 4.9982 5.1155 5.1155 5.2870 5.2870 5.3920 5.3920 6.1129 6.1129 6.1690 6.1690 6.4055 6.4055 6.4334 6.4334 6.6080 6.6080 6.6364 6.6364 6.6973 6.6973 6.7078 6.7078 7.4151 7.4151 7.4413 7.4413 7.4847 7.4847 7.5272 7.5272 15.3011 15.3011 15.3303 15.3303 16.9451 16.9451 17.0059 17.0059 18.6271 18.6271 18.6884 18.6884 19.1973 19.1973 19.2215 19.2215 k = 0.4821 0.0309 0.6124 ( 4646 PWs) bands (ev): -10.5548 -10.5548 -10.5004 -10.5004 -9.3621 -9.3621 -9.3219 -9.3219 -8.8506 -8.8506 -8.8267 -8.8267 -8.7094 -8.7094 -8.7065 -8.7065 2.1053 2.1053 2.1350 2.1350 2.5304 2.5304 2.5827 2.5827 2.8618 2.8618 2.9532 2.9532 3.1282 3.1282 3.2056 3.2056 3.3880 3.3880 3.5099 3.5099 3.9162 3.9162 3.9369 3.9369 4.0182 4.0182 4.1336 4.1336 4.1969 4.1969 4.2607 4.2607 4.6402 4.6402 4.7044 4.7044 4.9988 4.9988 5.1208 5.1208 5.2845 5.2845 5.4010 5.4010 6.0797 6.0797 6.1901 6.1901 6.3816 6.3816 6.4329 6.4329 6.6058 6.6058 6.6453 6.6453 6.7093 6.7093 6.7217 6.7217 7.3957 7.3957 7.4347 7.4347 7.4858 7.4858 7.5513 7.5513 15.2860 15.2860 15.3396 15.3396 16.9177 16.9177 17.0370 17.0370 18.5967 18.5967 18.7041 18.7041 19.1901 19.1901 19.2338 19.2338 k = 0.4732 0.0464 0.6124 ( 4646 PWs) bands (ev): -10.5672 -10.5672 -10.4888 -10.4888 -9.3703 -9.3703 -9.3083 -9.3083 -8.8627 -8.8627 -8.8241 -8.8241 -8.7075 -8.7075 -8.7031 -8.7031 2.1031 2.1031 2.1350 2.1350 2.5131 2.5131 2.5919 2.5919 2.8608 2.8608 2.9528 2.9528 3.1200 3.1200 3.2248 3.2248 3.3676 3.3676 3.5234 3.5234 3.9147 3.9147 3.9459 3.9459 4.0057 4.0057 4.1226 4.1226 4.1895 4.1895 4.2865 4.2865 4.6223 4.6223 4.7230 4.7230 5.0011 5.0011 5.1282 5.1282 5.2837 5.2837 5.4122 5.4122 6.0396 6.0396 6.2107 6.2107 6.3511 6.3511 6.4273 6.4273 6.6052 6.6052 6.6571 6.6571 6.7262 6.7262 6.7425 6.7425 7.3756 7.3756 7.4241 7.4241 7.4821 7.4821 7.5838 7.5838 15.2715 15.2715 15.3452 15.3452 16.8898 16.8898 17.0711 17.0711 18.5683 18.5683 18.7082 18.7082 19.1765 19.1765 19.2569 19.2569 k = 0.4643 0.0619 0.6124 ( 4651 PWs) bands (ev): -10.5785 -10.5785 -10.4784 -10.4784 -9.3778 -9.3778 -9.2933 -9.2933 -8.8768 -8.8768 -8.8223 -8.8223 -8.7051 -8.7051 -8.6989 -8.6989 2.1004 2.1004 2.1348 2.1348 2.4953 2.4953 2.6000 2.6000 2.8602 2.8602 2.9517 2.9517 3.1115 3.1115 3.2477 3.2477 3.3463 3.3463 3.5355 3.5355 3.9132 3.9132 3.9548 3.9548 3.9905 3.9905 4.1158 4.1158 4.1825 4.1825 4.3109 4.3109 4.6034 4.6034 4.7424 4.7424 5.0065 5.0065 5.1363 5.1363 5.2863 5.2863 5.4241 5.4241 5.9946 5.9946 6.2293 6.2293 6.3174 6.3174 6.4181 6.4181 6.6068 6.6068 6.6708 6.6708 6.7459 6.7459 6.7674 6.7674 7.3552 7.3552 7.4122 7.4122 7.4769 7.4769 7.6179 7.6179 15.2579 15.2579 15.3476 15.3476 16.8625 16.8625 17.1071 17.1071 18.5419 18.5419 18.7023 18.7023 19.1587 19.1587 19.2879 19.2879 k = 0.4554 0.0773 0.6124 ( 4645 PWs) bands (ev): -10.5889 -10.5889 -10.4692 -10.4692 -9.3847 -9.3847 -9.2770 -9.2770 -8.8927 -8.8927 -8.8212 -8.8212 -8.7024 -8.7024 -8.6944 -8.6944 2.0974 2.0974 2.1346 2.1346 2.4777 2.4777 2.6070 2.6070 2.8599 2.8599 2.9502 2.9502 3.1033 3.1033 3.2727 3.2727 3.3255 3.3255 3.5456 3.5456 3.9099 3.9099 3.9549 3.9549 3.9838 3.9838 4.1128 4.1128 4.1762 4.1762 4.3329 4.3329 4.5837 4.5837 4.7612 4.7612 5.0163 5.0163 5.1442 5.1442 5.2931 5.2931 5.4355 5.4355 5.9457 5.9457 6.2422 6.2422 6.2856 6.2856 6.4069 6.4069 6.6106 6.6106 6.6857 6.6857 6.7671 6.7671 6.7938 6.7938 7.3347 7.3347 7.3998 7.3998 7.4711 7.4711 7.6514 7.6514 15.2451 15.2451 15.3474 15.3474 16.8362 16.8362 17.1444 17.1444 18.5178 18.5178 18.6886 18.6886 19.1383 19.1383 19.3240 19.3240 k = 0.4464 0.0928 0.6124 ( 4641 PWs) bands (ev): -10.5982 -10.5982 -10.4612 -10.4612 -9.3909 -9.3909 -9.2594 -9.2594 -8.9099 -8.9099 -8.8206 -8.8206 -8.6996 -8.6996 -8.6898 -8.6898 2.0943 2.0943 2.1342 2.1342 2.4608 2.4608 2.6130 2.6130 2.8596 2.8596 2.9485 2.9485 3.0959 3.0959 3.2970 3.2970 3.3076 3.3076 3.5539 3.5539 3.9002 3.9002 3.9443 3.9443 3.9924 3.9924 4.1128 4.1128 4.1712 4.1712 4.3519 4.3519 4.5637 4.5637 4.7784 4.7784 5.0312 5.0312 5.1514 5.1514 5.3041 5.3041 5.4458 5.4458 5.8941 5.8941 6.2299 6.2299 6.2763 6.2763 6.3950 6.3950 6.6162 6.6162 6.7015 6.7015 6.7886 6.7886 6.8202 6.8202 7.3144 7.3144 7.3873 7.3873 7.4652 7.4652 7.6832 7.6832 15.2333 15.2333 15.3452 15.3452 16.8114 16.8114 17.1819 17.1819 18.4960 18.4960 18.6694 18.6694 19.1167 19.1167 19.3626 19.3626 k = 0.4375 0.1083 0.6124 ( 4641 PWs) bands (ev): -10.6065 -10.6065 -10.4542 -10.4542 -9.3964 -9.3964 -9.2408 -9.2408 -8.9282 -8.9282 -8.8204 -8.8204 -8.6967 -8.6967 -8.6855 -8.6855 2.0913 2.0913 2.1337 2.1337 2.4452 2.4452 2.6179 2.6179 2.8594 2.8594 2.9469 2.9469 3.0892 3.0892 3.2859 3.2859 3.3273 3.3273 3.5604 3.5604 3.8808 3.8808 3.9381 3.9381 4.0050 4.0050 4.1145 4.1145 4.1676 4.1676 4.3681 4.3681 4.5439 4.5439 4.7927 4.7927 5.0513 5.0513 5.1585 5.1585 5.3188 5.3188 5.4548 5.4548 5.8406 5.8406 6.1968 6.1968 6.2861 6.2861 6.3831 6.3831 6.6232 6.6232 6.7177 6.7177 6.8098 6.8098 6.8453 6.8453 7.2946 7.2946 7.3750 7.3750 7.4593 7.4593 7.7126 7.7126 15.2226 15.2226 15.3416 15.3416 16.7885 16.7885 17.2189 17.2189 18.4765 18.4765 18.6470 18.6470 19.0951 19.0951 19.4017 19.4017 k = 0.4286 0.1237 0.6124 ( 4647 PWs) bands (ev): -10.6137 -10.6137 -10.4483 -10.4483 -9.4013 -9.4013 -9.2214 -9.2214 -8.9474 -8.9474 -8.8204 -8.8204 -8.6939 -8.6939 -8.6816 -8.6816 2.0884 2.0884 2.1333 2.1333 2.4311 2.4311 2.6220 2.6220 2.8592 2.8592 2.9454 2.9454 3.0835 3.0835 3.2693 3.2693 3.3542 3.3542 3.5656 3.5656 3.8553 3.8553 3.9366 3.9366 4.0177 4.0177 4.1173 4.1173 4.1656 4.1656 4.3816 4.3816 4.5247 4.5247 4.8038 4.8038 5.0750 5.0750 5.1673 5.1673 5.3359 5.3359 5.4623 5.4623 5.7860 5.7860 6.1618 6.1618 6.2971 6.2971 6.3720 6.3720 6.6309 6.6309 6.7338 6.7338 6.8298 6.8298 6.8682 6.8682 7.2758 7.2758 7.3633 7.3633 7.4536 7.4536 7.7389 7.7389 15.2131 15.2131 15.3372 15.3372 16.7679 16.7679 17.2544 17.2544 18.4594 18.4594 18.6231 18.6231 19.0743 19.0743 19.4394 19.4394 k = 0.4196 0.1392 0.6124 ( 4637 PWs) bands (ev): -10.6198 -10.6198 -10.4435 -10.4435 -9.4054 -9.4054 -9.2013 -9.2013 -8.9672 -8.9672 -8.8206 -8.8206 -8.6913 -8.6913 -8.6781 -8.6781 2.0858 2.0858 2.1328 2.1328 2.4189 2.4189 2.6252 2.6252 2.8591 2.8591 2.9442 2.9442 3.0786 3.0786 3.2545 3.2545 3.3807 3.3807 3.5698 3.5698 3.8280 3.8280 3.9368 3.9368 4.0293 4.0293 4.1205 4.1205 4.1653 4.1653 4.3927 4.3927 4.5069 4.5069 4.8119 4.8119 5.0981 5.0981 5.1813 5.1813 5.3543 5.3543 5.4683 5.4683 5.7311 5.7311 6.1285 6.1285 6.3067 6.3067 6.3621 6.3621 6.6388 6.6388 6.7493 6.7493 6.8479 6.8479 6.8886 6.8886 7.2583 7.2583 7.3525 7.3525 7.4483 7.4483 7.7619 7.7619 15.2050 15.2050 15.3326 15.3326 16.7499 16.7499 17.2872 17.2872 18.4447 18.4447 18.5995 18.5995 19.0553 19.0553 19.4743 19.4743 k = 0.4107 0.1546 0.6124 ( 4641 PWs) bands (ev): -10.6248 -10.6248 -10.4395 -10.4395 -9.4088 -9.4088 -9.1810 -9.1810 -8.9874 -8.9874 -8.8209 -8.8209 -8.6891 -8.6891 -8.6751 -8.6751 2.0836 2.0836 2.1323 2.1323 2.4087 2.4087 2.6276 2.6276 2.8589 2.8589 2.9432 2.9432 3.0747 3.0747 3.2421 3.2421 3.4056 3.4056 3.5733 3.5733 3.8013 3.8013 3.9376 3.9376 4.0390 4.0390 4.1239 4.1239 4.1662 4.1662 4.4015 4.4015 4.4908 4.4908 4.8173 4.8173 5.1153 5.1153 5.2046 5.2046 5.3723 5.3723 5.4727 5.4727 5.6770 5.6770 6.0986 6.0986 6.3145 6.3145 6.3537 6.3537 6.6462 6.6462 6.7635 6.7635 6.8638 6.8638 6.9058 6.9058 7.2426 7.2426 7.3430 7.3430 7.4436 7.4436 7.7812 7.7812 15.1981 15.1981 15.3282 15.3282 16.7347 16.7347 17.3162 17.3162 18.4326 18.4326 18.5777 18.5777 19.0388 19.0388 19.5050 19.5050 k = 0.4018 0.1701 0.6124 ( 4643 PWs) bands (ev): -10.6288 -10.6288 -10.4365 -10.4365 -9.4114 -9.4114 -9.1608 -9.1608 -9.0073 -9.0073 -8.8212 -8.8212 -8.6873 -8.6873 -8.6727 -8.6727 2.0818 2.0818 2.1320 2.1320 2.4006 2.4006 2.6294 2.6294 2.8587 2.8587 2.9424 2.9424 3.0717 3.0717 3.2321 3.2321 3.4278 3.4278 3.5764 3.5764 3.7768 3.7768 3.9385 3.9385 4.0464 4.0464 4.1272 4.1272 4.1678 4.1678 4.4083 4.4083 4.4773 4.4773 4.8209 4.8209 5.1250 5.1250 5.2369 5.2369 5.3885 5.3885 5.4753 5.4753 5.6254 5.6254 6.0733 6.0733 6.3203 6.3203 6.3471 6.3471 6.6526 6.6526 6.7756 6.7756 6.8767 6.8767 6.9195 6.9195 7.2294 7.2294 7.3351 7.3351 7.4397 7.4397 7.7965 7.7965 15.1927 15.1927 15.3243 15.3243 16.7227 16.7227 17.3403 17.3403 18.4231 18.4231 18.5590 18.5590 19.0254 19.0254 19.5303 19.5303 k = 0.3929 0.1856 0.6124 ( 4641 PWs) bands (ev): -10.6316 -10.6316 -10.4344 -10.4344 -9.4133 -9.4133 -9.1417 -9.1417 -9.0262 -9.0262 -8.8215 -8.8215 -8.6859 -8.6859 -8.6710 -8.6710 2.0804 2.0804 2.1317 2.1317 2.3948 2.3948 2.6306 2.6306 2.8586 2.8586 2.9419 2.9419 3.0696 3.0696 3.2249 3.2249 3.4458 3.4458 3.5790 3.5790 3.7565 3.7565 3.9392 3.9392 4.0515 4.0515 4.1301 4.1301 4.1696 4.1696 4.4132 4.4132 4.4668 4.4668 4.8231 4.8231 5.1299 5.1299 5.2726 5.2726 5.4017 5.4017 5.4757 5.4757 5.5796 5.5796 6.0539 6.0539 6.3242 6.3242 6.3426 6.3426 6.6575 6.6575 6.7849 6.7849 6.8864 6.8864 6.9296 6.9296 7.2193 7.2193 7.3292 7.3292 7.4367 7.4367 7.8075 7.8075 15.1889 15.1889 15.3213 15.3213 16.7140 16.7140 17.3585 17.3585 18.4163 18.4163 18.5447 18.5447 19.0155 19.0155 19.5493 19.5493 k = 0.3839 0.2010 0.6124 ( 4641 PWs) bands (ev): -10.6333 -10.6333 -10.4331 -10.4331 -9.4145 -9.4145 -9.1261 -9.1261 -9.0417 -9.0417 -8.8216 -8.8216 -8.6851 -8.6851 -8.6700 -8.6700 2.0796 2.0796 2.1315 2.1315 2.3913 2.3913 2.6313 2.6313 2.8585 2.8585 2.9416 2.9416 3.0684 3.0684 3.2205 3.2205 3.4576 3.4576 3.5811 3.5811 3.7428 3.7428 3.9396 3.9396 4.0544 4.0544 4.1322 4.1322 4.1709 4.1709 4.4162 4.4162 4.4602 4.4602 4.8243 4.8243 5.1321 5.1321 5.3032 5.3032 5.4105 5.4105 5.4733 5.4733 5.5460 5.5460 6.0418 6.0418 6.3263 6.3263 6.3401 6.3401 6.6606 6.6606 6.7908 6.7908 6.8923 6.8923 6.9357 6.9357 7.2129 7.2129 7.3255 7.3255 7.4348 7.4348 7.8142 7.8142 15.1865 15.1865 15.3194 15.3194 16.7087 16.7087 17.3698 17.3698 18.4122 18.4122 18.5356 18.5356 19.0094 19.0094 19.5610 19.5610 k = 0.3750 0.2165 0.6124 ( 4622 PWs) bands (ev): -10.6338 -10.6338 -10.4327 -10.4327 -9.4148 -9.4148 -9.1194 -9.1194 -9.0484 -9.0484 -8.8217 -8.8217 -8.6848 -8.6848 -8.6696 -8.6696 2.0794 2.0794 2.1314 2.1314 2.3901 2.3901 2.6315 2.6315 2.8585 2.8585 2.9415 2.9415 3.0680 3.0680 3.2191 3.2191 3.4618 3.4618 3.5819 3.5819 3.7378 3.7378 3.9398 3.9398 4.0554 4.0554 4.1329 4.1329 4.1714 4.1714 4.4172 4.4172 4.4580 4.4580 4.8247 4.8247 5.1328 5.1328 5.3163 5.3163 5.4137 5.4137 5.4707 5.4707 5.5337 5.5337 6.0376 6.0376 6.3268 6.3268 6.3394 6.3394 6.6617 6.6617 6.7928 6.7928 6.8944 6.8944 6.9378 6.9378 7.2108 7.2108 7.3243 7.3243 7.4342 7.4342 7.8165 7.8165 15.1857 15.1857 15.3188 15.3188 16.7069 16.7069 17.3736 17.3736 18.4108 18.4108 18.5326 18.5326 19.0074 19.0074 19.5650 19.5650 k = 0.3750 0.2165 0.6124 ( 4622 PWs) bands (ev): -10.6338 -10.6338 -10.4327 -10.4327 -9.4148 -9.4148 -9.1194 -9.1194 -9.0484 -9.0484 -8.8217 -8.8217 -8.6848 -8.6848 -8.6696 -8.6696 2.0794 2.0794 2.1314 2.1314 2.3901 2.3901 2.6315 2.6315 2.8585 2.8585 2.9415 2.9415 3.0680 3.0680 3.2191 3.2191 3.4618 3.4618 3.5819 3.5819 3.7378 3.7378 3.9398 3.9398 4.0554 4.0554 4.1329 4.1329 4.1714 4.1714 4.4172 4.4172 4.4580 4.4580 4.8247 4.8247 5.1328 5.1328 5.3163 5.3163 5.4137 5.4137 5.4707 5.4707 5.5337 5.5337 6.0376 6.0376 6.3268 6.3268 6.3394 6.3394 6.6617 6.6617 6.7928 6.7928 6.8944 6.8944 6.9378 6.9378 7.2108 7.2108 7.3243 7.3243 7.4342 7.4342 7.8165 7.8165 15.1857 15.1857 15.3188 15.3188 16.7069 16.7069 17.3736 17.3736 18.4108 18.4108 18.5326 18.5326 19.0074 19.0074 19.5650 19.5650 k = 0.3661 0.2114 0.5978 ( 4636 PWs) bands (ev): -10.6494 -10.6494 -10.4178 -10.4178 -9.4240 -9.4240 -9.1100 -9.1100 -9.0448 -9.0448 -8.8055 -8.8055 -8.6948 -8.6948 -8.6764 -8.6764 2.0713 2.0713 2.1304 2.1304 2.3756 2.3756 2.6275 2.6275 2.8554 2.8554 2.9590 2.9590 3.0480 3.0480 3.2019 3.2019 3.4692 3.4692 3.6032 3.6032 3.7478 3.7478 3.9161 3.9161 4.0276 4.0276 4.1063 4.1063 4.1920 4.1920 4.4202 4.4202 4.4699 4.4699 4.8419 4.8419 5.1163 5.1163 5.3201 5.3201 5.4030 5.4030 5.4519 5.4519 5.5539 5.5539 6.0855 6.0855 6.3776 6.3776 6.3898 6.3898 6.6658 6.6658 6.8068 6.8068 6.8606 6.8606 6.9126 6.9126 7.1705 7.1705 7.3193 7.3193 7.4380 7.4380 7.8349 7.8349 15.1591 15.1591 15.3282 15.3282 16.6678 16.6678 17.3811 17.3811 18.3714 18.3714 18.5657 18.5657 19.0286 19.0286 19.5683 19.5683 k = 0.3571 0.2062 0.5832 ( 4640 PWs) bands (ev): -10.6663 -10.6663 -10.4021 -10.4021 -9.4314 -9.4314 -9.1001 -9.1001 -9.0414 -9.0414 -8.7904 -8.7904 -8.7053 -8.7053 -8.6831 -8.6831 2.0620 2.0620 2.1288 2.1288 2.3600 2.3600 2.6182 2.6182 2.8437 2.8437 2.9845 2.9845 3.0321 3.0321 3.1836 3.1836 3.4765 3.4765 3.6249 3.6249 3.7593 3.7593 3.8903 3.8903 3.9996 3.9996 4.0809 4.0809 4.2152 4.2152 4.4205 4.4205 4.4855 4.4855 4.8608 4.8608 5.0943 5.0943 5.3239 5.3239 5.3982 5.3982 5.4353 5.4353 5.5803 5.5803 6.1322 6.1322 6.4234 6.4234 6.4390 6.4390 6.6695 6.6695 6.8089 6.8089 6.8368 6.8368 6.8881 6.8881 7.1352 7.1352 7.3151 7.3151 7.4419 7.4419 7.8530 7.8530 15.1267 15.1267 15.3378 15.3378 16.6324 16.6324 17.3867 17.3867 18.3229 18.3229 18.5961 18.5961 19.0585 19.0585 19.5674 19.5674 k = 0.3482 0.2010 0.5686 ( 4644 PWs) bands (ev): -10.6843 -10.6843 -10.3856 -10.3856 -9.4369 -9.4369 -9.0897 -9.0897 -9.0382 -9.0382 -8.7761 -8.7761 -8.7162 -8.7162 -8.6897 -8.6897 2.0514 2.0514 2.1267 2.1267 2.3435 2.3435 2.6044 2.6044 2.8244 2.8244 3.0164 3.0164 3.0196 3.0196 3.1641 3.1641 3.4836 3.4836 3.6463 3.6463 3.7724 3.7724 3.8646 3.8646 3.9712 3.9712 4.0590 4.0590 4.2380 4.2380 4.4185 4.4185 4.5032 4.5032 4.8816 4.8816 5.0678 5.0678 5.3285 5.3285 5.3949 5.3949 5.4260 5.4260 5.6115 5.6115 6.1776 6.1776 6.4617 6.4617 6.4870 6.4870 6.6726 6.6726 6.7811 6.7811 6.8400 6.8400 6.8656 6.8656 7.1081 7.1081 7.3118 7.3118 7.4459 7.4459 7.8708 7.8708 15.0884 15.0884 15.3473 15.3473 16.6007 16.6007 17.3900 17.3900 18.2679 18.2679 18.6223 18.6223 19.0950 19.0950 19.5625 19.5625 k = 0.3393 0.1959 0.5541 ( 4636 PWs) bands (ev): -10.7035 -10.7035 -10.3683 -10.3683 -9.4406 -9.4406 -9.0788 -9.0788 -9.0353 -9.0353 -8.7628 -8.7628 -8.7275 -8.7275 -8.6960 -8.6960 2.0392 2.0392 2.1239 2.1239 2.3260 2.3260 2.5868 2.5868 2.7994 2.7994 3.0077 3.0077 3.0538 3.0538 3.1434 3.1434 3.4906 3.4906 3.6670 3.6670 3.7869 3.7869 3.8406 3.8406 3.9431 3.9431 4.0409 4.0409 4.2593 4.2593 4.4140 4.4140 4.5224 4.5224 4.9044 4.9044 5.0383 5.0383 5.3340 5.3340 5.3884 5.3884 5.4282 5.4282 5.6472 5.6472 6.2211 6.2211 6.4902 6.4902 6.5334 6.5334 6.6745 6.6745 6.7468 6.7468 6.8373 6.8373 6.8548 6.8548 7.0923 7.0923 7.3096 7.3096 7.4500 7.4500 7.8883 7.8883 15.0442 15.0442 15.3567 15.3567 16.5726 16.5726 17.3906 17.3906 18.2083 18.2083 18.6429 18.6429 19.1359 19.1359 19.5541 19.5541 k = 0.3304 0.1907 0.5395 ( 4624 PWs) bands (ev): -10.7237 -10.7237 -10.3503 -10.3503 -9.4424 -9.4424 -9.0675 -9.0675 -9.0328 -9.0328 -8.7506 -8.7506 -8.7391 -8.7391 -8.7020 -8.7020 2.0256 2.0256 2.1205 2.1205 2.3077 2.3077 2.5663 2.5663 2.7707 2.7707 2.9959 2.9959 3.0926 3.0926 3.1228 3.1228 3.4976 3.4976 3.6865 3.6865 3.7998 3.7998 3.8223 3.8223 3.9166 3.9166 4.0262 4.0262 4.2782 4.2782 4.4069 4.4069 4.5424 4.5424 4.9290 4.9290 5.0077 5.0077 5.3389 5.3389 5.3827 5.3827 5.4387 5.4387 5.6874 5.6874 6.2624 6.2624 6.5070 6.5070 6.5774 6.5774 6.6745 6.6745 6.7131 6.7131 6.8197 6.8197 6.8601 6.8601 7.0901 7.0901 7.3085 7.3085 7.4542 7.4542 7.9052 7.9052 14.9942 14.9942 15.3660 15.3660 16.5479 16.5479 17.3880 17.3880 18.1456 18.1456 18.6563 18.6563 19.1801 19.1801 19.5423 19.5423 k = 0.3214 0.1856 0.5249 ( 4642 PWs) bands (ev): -10.7449 -10.7449 -10.3316 -10.3316 -9.4426 -9.4426 -9.0558 -9.0558 -9.0308 -9.0308 -8.7513 -8.7513 -8.7390 -8.7390 -8.7074 -8.7074 2.0102 2.0102 2.1164 2.1164 2.2885 2.2885 2.5433 2.5433 2.7395 2.7395 2.9827 2.9827 3.0943 3.0943 3.1398 3.1398 3.5046 3.5046 3.7042 3.7042 3.7919 3.7919 3.8291 3.8291 3.8931 3.8931 4.0140 4.0140 4.2939 4.2939 4.3972 4.3972 4.5630 4.5630 4.9542 4.9542 4.9790 4.9790 5.3411 5.3411 5.3829 5.3829 5.4534 5.4534 5.7319 5.7319 6.3005 6.3005 6.5108 6.5108 6.6168 6.6168 6.6705 6.6705 6.6844 6.6844 6.8032 6.8032 6.8673 6.8673 7.1014 7.1014 7.3088 7.3088 7.4585 7.4585 7.9218 7.9218 14.9389 14.9389 15.3752 15.3752 16.5263 16.5263 17.3820 17.3820 18.0808 18.0808 18.6610 18.6610 19.2264 19.2264 19.5270 19.5270 k = 0.3125 0.1804 0.5103 ( 4646 PWs) bands (ev): -10.7671 -10.7671 -10.3123 -10.3123 -9.4410 -9.4410 -9.0437 -9.0437 -9.0293 -9.0293 -8.7635 -8.7635 -8.7286 -8.7286 -8.7123 -8.7123 1.9932 1.9932 2.1116 2.1116 2.2686 2.2686 2.5184 2.5184 2.7069 2.7069 2.9673 2.9673 3.0696 3.0696 3.1825 3.1825 3.5116 3.5116 3.7196 3.7196 3.7752 3.7752 3.8490 3.8490 3.8748 3.8748 4.0040 4.0040 4.3058 4.3058 4.3850 4.3850 4.5840 4.5840 4.9456 4.9456 4.9879 4.9879 5.3405 5.3405 5.3897 5.3897 5.4711 5.4711 5.7805 5.7805 6.3343 6.3343 6.5025 6.5025 6.6365 6.6365 6.6576 6.6576 6.6812 6.6812 6.7904 6.7904 6.8767 6.8767 7.1241 7.1241 7.3107 7.3107 7.4630 7.4630 7.9378 7.9378 14.8785 14.8785 15.3841 15.3841 16.5073 16.5073 17.3723 17.3723 18.0145 18.0145 18.6555 18.6555 19.2740 19.2740 19.5067 19.5067 k = 0.3036 0.1753 0.4957 ( 4642 PWs) bands (ev): -10.7899 -10.7899 -10.2924 -10.2924 -9.4377 -9.4377 -9.0314 -9.0314 -9.0284 -9.0284 -8.7759 -8.7759 -8.7193 -8.7193 -8.7164 -8.7164 1.9743 1.9743 2.1060 2.1060 2.2479 2.2479 2.4919 2.4919 2.6733 2.6733 2.9492 2.9492 3.0424 3.0424 3.2259 3.2259 3.5186 3.5186 3.7312 3.7312 3.7596 3.7596 3.8634 3.8634 3.8723 3.8723 3.9959 3.9959 4.3132 4.3132 4.3711 4.3711 4.6053 4.6053 4.9199 4.9199 5.0188 5.0188 5.3398 5.3398 5.4004 5.4004 5.4908 5.4908 5.8333 5.8333 6.3615 6.3615 6.4849 6.4849 6.6196 6.6196 6.6514 6.6514 6.7066 6.7066 6.7821 6.7821 6.8889 6.8889 7.1554 7.1554 7.3143 7.3143 7.4676 7.4676 7.9533 7.9533 14.8136 14.8136 15.3928 15.3928 16.4906 16.4906 17.3587 17.3587 17.9474 17.9474 18.6391 18.6391 19.3221 19.3221 19.4783 19.4783 k = 0.2946 0.1701 0.4811 ( 4632 PWs) bands (ev): -10.8135 -10.8135 -10.2720 -10.2720 -9.4330 -9.4330 -9.0285 -9.0285 -9.0185 -9.0185 -8.7886 -8.7886 -8.7203 -8.7203 -8.7104 -8.7104 1.9538 1.9538 2.0995 2.0995 2.2267 2.2267 2.4641 2.4641 2.6392 2.6392 2.9283 2.9283 3.0134 3.0134 3.2682 3.2682 3.5255 3.5255 3.7345 3.7345 3.7493 3.7493 3.8617 3.8617 3.8969 3.8969 3.9894 3.9894 4.3151 4.3151 4.3564 4.3564 4.6266 4.6266 4.8970 4.8970 5.0527 5.0527 5.3408 5.3408 5.4130 5.4130 5.5117 5.5117 5.8901 5.8901 6.3789 6.3789 6.4617 6.4617 6.6048 6.6048 6.6391 6.6391 6.7378 6.7378 6.7779 6.7779 6.9032 6.9032 7.1929 7.1929 7.3198 7.3198 7.4724 7.4724 7.9683 7.9683 14.7445 14.7445 15.4012 15.4012 16.4756 16.4756 17.3410 17.3410 17.8800 17.8800 18.6113 18.6113 19.3696 19.3696 19.4375 19.4375 k = 0.2857 0.1650 0.4666 ( 4650 PWs) bands (ev): -10.8376 -10.8376 -10.2512 -10.2512 -9.4267 -9.4267 -9.0291 -9.0291 -9.0055 -9.0055 -8.8014 -8.8014 -8.7231 -8.7231 -8.7027 -8.7027 1.9314 1.9314 2.0922 2.0922 2.2050 2.2050 2.4354 2.4354 2.6048 2.6048 2.9046 2.9046 2.9827 2.9827 3.3082 3.3082 3.5323 3.5323 3.7239 3.7239 3.7497 3.7497 3.8689 3.8689 3.9230 3.9230 3.9848 3.9848 4.3102 4.3102 4.3427 4.3427 4.6478 4.6478 4.8777 4.8777 5.0889 5.0889 5.3439 5.3439 5.4266 5.4266 5.5329 5.5329 5.9507 5.9507 6.3835 6.3835 6.4364 6.4364 6.6006 6.6006 6.6243 6.6243 6.7666 6.7666 6.7774 6.7774 6.9189 6.9189 7.2345 7.2345 7.3273 7.3273 7.4773 7.4773 7.9827 7.9827 14.6719 14.6719 15.4094 15.4094 16.4621 16.4621 17.3191 17.3191 17.8124 17.8124 18.5725 18.5725 19.3774 19.3774 19.4025 19.4025 k = 0.2768 0.1598 0.4520 ( 4646 PWs) bands (ev): -10.8621 -10.8621 -10.2300 -10.2300 -9.4192 -9.4192 -9.0304 -9.0304 -8.9923 -8.9923 -8.8143 -8.8143 -8.7251 -8.7251 -8.6958 -8.6958 1.9073 1.9073 2.0839 2.0839 2.1828 2.1828 2.4058 2.4058 2.5705 2.5705 2.8784 2.8784 2.9505 2.9505 3.3451 3.3451 3.5392 3.5392 3.7102 3.7102 3.7516 3.7516 3.8830 3.8830 3.9480 3.9480 3.9852 3.9852 4.2986 4.2986 4.3306 4.3306 4.6688 4.6688 4.8627 4.8627 5.1274 5.1274 5.3495 5.3495 5.4407 5.4407 5.5534 5.5534 6.0149 6.0149 6.3748 6.3748 6.4125 6.4125 6.5998 6.5998 6.6164 6.6164 6.7773 6.7773 6.7941 6.7941 6.9355 6.9355 7.2789 7.2789 7.3369 7.3369 7.4824 7.4824 7.9966 7.9966 14.5961 14.5961 15.4174 15.4174 16.4496 16.4496 17.2931 17.2931 17.7451 17.7451 18.5233 18.5233 19.2943 19.2943 19.3011 19.3011 k = 0.2679 0.1546 0.4374 ( 4640 PWs) bands (ev): -10.8870 -10.8870 -10.2084 -10.2084 -9.4104 -9.4104 -9.0324 -9.0324 -8.9788 -8.9788 -8.8273 -8.8273 -8.7263 -8.7263 -8.6897 -8.6897 1.8816 1.8816 2.0748 2.0748 2.1603 2.1603 2.3757 2.3757 2.5366 2.5366 2.8499 2.8499 2.9168 2.9168 3.3782 3.3782 3.5458 3.5458 3.6970 3.6970 3.7532 3.7532 3.9005 3.9005 3.9605 3.9605 4.0030 4.0030 4.2834 4.2834 4.3186 4.3186 4.6894 4.6894 4.8518 4.8518 5.1679 5.1679 5.3575 5.3575 5.4552 5.4552 5.5723 5.5723 6.0825 6.0825 6.3566 6.3566 6.3921 6.3921 6.5850 6.5850 6.6309 6.6309 6.7802 6.7802 6.8165 6.8165 6.9525 6.9525 7.3247 7.3247 7.3487 7.3487 7.4877 7.4877 8.0098 8.0098 14.5175 14.5175 15.4252 15.4252 16.4380 16.4380 17.2632 17.2632 17.6782 17.6782 18.4648 18.4648 19.1816 19.1816 19.2082 19.2082 k = 0.2589 0.1495 0.4228 ( 4648 PWs) bands (ev): -10.9120 -10.9120 -10.1866 -10.1866 -9.4004 -9.4004 -9.0351 -9.0351 -8.9653 -8.9653 -8.8403 -8.8403 -8.7268 -8.7268 -8.6844 -8.6844 1.8544 1.8544 2.0647 2.0647 2.1375 2.1375 2.3451 2.3451 2.5030 2.5030 2.8194 2.8194 2.8819 2.8819 3.4070 3.4070 3.5522 3.5522 3.6849 3.6849 3.7547 3.7547 3.9169 3.9169 3.9626 3.9626 4.0381 4.0381 4.2675 4.2675 4.3049 4.3049 4.7094 4.7094 4.8447 4.8447 5.2101 5.2101 5.3677 5.3677 5.4698 5.4698 5.5886 5.5886 6.1533 6.1533 6.3333 6.3333 6.3770 6.3770 6.5675 6.5675 6.6530 6.6530 6.7838 6.7838 6.8356 6.8356 6.9696 6.9696 7.3608 7.3608 7.3730 7.3730 7.4931 7.4931 8.0225 8.0225 14.4366 14.4366 15.4327 15.4327 16.4269 16.4269 17.2295 17.2295 17.6120 17.6120 18.3980 18.3980 19.0687 19.0687 19.1037 19.1037 k = 0.2500 0.1443 0.4082 ( 4650 PWs) bands (ev): -10.9372 -10.9372 -10.1646 -10.1646 -9.3894 -9.3894 -9.0384 -9.0384 -8.9516 -8.9516 -8.8533 -8.8533 -8.7265 -8.7265 -8.6799 -8.6799 1.8257 1.8257 2.0536 2.0536 2.1146 2.1146 2.3141 2.3141 2.4701 2.4701 2.7872 2.7872 2.8459 2.8459 3.4317 3.4317 3.5583 3.5583 3.6743 3.6743 3.7564 3.7564 3.9262 3.9262 3.9680 3.9680 4.0806 4.0806 4.2533 4.2533 4.2895 4.2895 4.7289 4.7289 4.8410 4.8410 5.2537 5.2537 5.3799 5.3799 5.4847 5.4847 5.6013 5.6013 6.2266 6.2266 6.3080 6.3080 6.3688 6.3688 6.5503 6.5503 6.6779 6.6779 6.7880 6.7880 6.8513 6.8513 6.9868 6.9868 7.3768 7.3768 7.4194 7.4194 7.4987 7.4987 8.0345 8.0345 14.3537 14.3537 15.4401 15.4401 16.4163 16.4163 17.1922 17.1922 17.5467 17.5467 18.3239 18.3239 18.9559 18.9559 18.9920 18.9920 k = 0.2411 0.1392 0.3937 ( 4652 PWs) bands (ev): -10.9623 -10.9623 -10.1425 -10.1425 -9.3775 -9.3775 -9.0421 -9.0421 -8.9378 -8.9378 -8.8662 -8.8662 -8.7257 -8.7257 -8.6761 -8.6761 1.7958 1.7958 2.0415 2.0415 2.0916 2.0916 2.2829 2.2829 2.4379 2.4379 2.7538 2.7538 2.8090 2.8090 3.4525 3.4525 3.5640 3.5640 3.6650 3.6650 3.7579 3.7579 3.9254 3.9254 3.9807 3.9807 4.1249 4.1249 4.2428 4.2428 4.2749 4.2749 4.7477 4.7477 4.8402 4.8402 5.2982 5.2982 5.3942 5.3942 5.4996 5.4996 5.6099 5.6099 6.2780 6.2780 6.3063 6.3063 6.3688 6.3688 6.5339 6.5339 6.7035 6.7035 6.7925 6.7925 6.8636 6.8636 7.0042 7.0042 7.3936 7.3936 7.4662 7.4662 7.5044 7.5044 8.0459 8.0459 14.2692 14.2692 15.4473 15.4473 16.4059 16.4059 17.1518 17.1518 17.4824 17.4824 18.2435 18.2435 18.8435 18.8435 18.8764 18.8764 k = 0.2321 0.1340 0.3791 ( 4666 PWs) bands (ev): -10.9874 -10.9874 -10.1204 -10.1204 -9.3648 -9.3648 -9.0462 -9.0462 -8.9241 -8.9241 -8.8790 -8.8790 -8.7243 -8.7243 -8.6730 -8.6730 1.7649 1.7649 2.0284 2.0284 2.0686 2.0686 2.2515 2.2515 2.4065 2.4065 2.7193 2.7193 2.7714 2.7714 3.4699 3.4699 3.5692 3.5692 3.6571 3.6571 3.7589 3.7589 3.9186 3.9186 3.9967 3.9967 4.1606 4.1606 4.2334 4.2334 4.2736 4.2736 4.7656 4.7656 4.8417 4.8417 5.3429 5.3429 5.4106 5.4106 5.5148 5.5148 5.6144 5.6144 6.2537 6.2537 6.3738 6.3738 6.3861 6.3861 6.5189 6.5189 6.7290 6.7290 6.7972 6.7972 6.8729 6.8729 7.0217 7.0217 7.4116 7.4116 7.5092 7.5092 7.5136 7.5136 8.0567 8.0567 14.1834 14.1834 15.4544 15.4544 16.3957 16.3957 17.1084 17.1084 17.4192 17.4192 18.1577 18.1577 18.7316 18.7316 18.7592 18.7592 k = 0.2232 0.1289 0.3645 ( 4662 PWs) bands (ev): -11.0122 -11.0122 -10.0983 -10.0983 -9.3514 -9.3514 -9.0507 -9.0507 -8.9103 -8.9103 -8.8917 -8.8917 -8.7225 -8.7225 -8.6705 -8.6705 1.7330 1.7330 2.0144 2.0144 2.0458 2.0458 2.2200 2.2200 2.3762 2.3762 2.6842 2.6842 2.7335 2.7335 3.4846 3.4846 3.5741 3.5741 3.6505 3.6505 3.7592 3.7592 3.9091 3.9091 4.0130 4.0130 4.1753 4.1753 4.2164 4.2164 4.3068 4.3068 4.7827 4.7827 4.8450 4.8450 5.3863 5.3863 5.4298 5.4298 5.5302 5.5302 5.6152 5.6152 6.2283 6.2283 6.3923 6.3923 6.4642 6.4642 6.5056 6.5056 6.7539 6.7539 6.8021 6.8021 6.8794 6.8794 7.0394 7.0394 7.4303 7.4303 7.5160 7.5160 7.5582 7.5582 8.0668 8.0668 14.0965 14.0965 15.4615 15.4615 16.3858 16.3858 17.0627 17.0627 17.3574 17.3574 18.0671 18.0671 18.6205 18.6205 18.6422 18.6422 k = 0.2143 0.1237 0.3499 ( 4662 PWs) bands (ev): -11.0367 -11.0367 -10.0764 -10.0764 -9.3374 -9.3374 -9.0552 -9.0552 -8.9042 -8.9042 -8.8966 -8.8966 -8.7203 -8.7203 -8.6686 -8.6686 1.7005 1.7005 1.9994 1.9994 2.0231 2.0231 2.1885 2.1885 2.3469 2.3469 2.6486 2.6486 2.6953 2.6953 3.4969 3.4969 3.5786 3.5786 3.6451 3.6451 3.7585 3.7585 3.8982 3.8982 4.0286 4.0286 4.1762 4.1762 4.1946 4.1946 4.3638 4.3638 4.7988 4.7988 4.8497 4.8497 5.4246 5.4246 5.4545 5.4545 5.5464 5.5464 5.6130 5.6130 6.2039 6.2039 6.4159 6.4159 6.4938 6.4938 6.5468 6.5468 6.7779 6.7779 6.8070 6.8070 6.8834 6.8834 7.0576 7.0576 7.4494 7.4494 7.5222 7.5222 7.6026 7.6026 8.0762 8.0762 14.0089 14.0089 15.4687 15.4687 16.3759 16.3759 17.0149 17.0149 17.2972 17.2972 17.9725 17.9725 18.5103 18.5103 18.5268 18.5268 k = 0.2054 0.1186 0.3353 ( 4670 PWs) bands (ev): -11.0608 -11.0608 -10.0547 -10.0547 -9.3229 -9.3229 -9.0598 -9.0598 -8.9165 -8.9165 -8.8830 -8.8830 -8.7178 -8.7178 -8.6673 -8.6673 1.6674 1.6674 1.9836 1.9836 2.0008 2.0008 2.1571 2.1571 2.3187 2.3187 2.6129 2.6129 2.6571 2.6571 3.5072 3.5072 3.5828 3.5828 3.6406 3.6406 3.7566 3.7566 3.8867 3.8867 4.0432 4.0432 4.1684 4.1684 4.1759 4.1759 4.4308 4.4308 4.8139 4.8139 4.8555 4.8555 5.4531 5.4531 5.4878 5.4878 5.5643 5.5643 5.6089 5.6089 6.1808 6.1808 6.4449 6.4449 6.4854 6.4854 6.6301 6.6301 6.8006 6.8006 6.8120 6.8120 6.8855 6.8855 7.0763 7.0763 7.4686 7.4686 7.5283 7.5283 7.6458 7.6458 8.0850 8.0850 13.9208 13.9208 15.4759 15.4759 16.3663 16.3663 16.9654 16.9654 17.2386 17.2386 17.8745 17.8745 18.4011 18.4011 18.4140 18.4140 k = 0.1964 0.1134 0.3208 ( 4670 PWs) bands (ev): -11.0844 -11.0844 -10.0333 -10.0333 -9.3081 -9.3081 -9.0644 -9.0644 -8.9285 -8.9285 -8.8696 -8.8696 -8.7152 -8.7152 -8.6665 -8.6665 1.6340 1.6340 1.9670 1.9670 1.9789 1.9789 2.1258 2.1258 2.2916 2.2916 2.5772 2.5772 2.6191 2.6191 3.5161 3.5161 3.5867 3.5867 3.6370 3.6370 3.7532 3.7532 3.8753 3.8753 4.0568 4.0568 4.1446 4.1446 4.1719 4.1719 4.5026 4.5026 4.8280 4.8280 4.8619 4.8619 5.4765 5.4765 5.5222 5.5222 5.5859 5.5859 5.6039 5.6039 6.1593 6.1593 6.4697 6.4697 6.4884 6.4884 6.7134 6.7134 6.8171 6.8171 6.8222 6.8222 6.8866 6.8866 7.0957 7.0957 7.4876 7.4876 7.5346 7.5346 7.6875 7.6875 8.0932 8.0932 13.8325 13.8325 15.4833 15.4833 16.3568 16.3568 16.9149 16.9149 17.1819 17.1819 17.7737 17.7737 18.2931 18.2931 18.3044 18.3044 k = 0.1875 0.1083 0.3062 ( 4669 PWs) bands (ev): -11.1074 -11.1074 -10.0123 -10.0123 -9.2930 -9.2930 -9.0687 -9.0687 -8.9403 -8.9403 -8.8563 -8.8563 -8.7125 -8.7125 -8.6661 -8.6661 1.6005 1.6005 1.9498 1.9498 1.9575 1.9575 2.0948 2.0948 2.2658 2.2658 2.5418 2.5418 2.5815 2.5815 3.5238 3.5238 3.5905 3.5905 3.6340 3.6340 3.7483 3.7483 3.8646 3.8646 4.0688 4.0688 4.1194 4.1194 4.1696 4.1696 4.5771 4.5771 4.8414 4.8414 4.8689 4.8689 5.4988 5.4988 5.5497 5.5497 5.5969 5.5969 5.6162 5.6162 6.1396 6.1396 6.4700 6.4700 6.5222 6.5222 6.7928 6.7928 6.8230 6.8230 6.8422 6.8422 6.8902 6.8902 7.1159 7.1159 7.5061 7.5061 7.5411 7.5411 7.7278 7.7278 8.1006 8.1006 13.7441 13.7441 15.4909 15.4909 16.3476 16.3476 16.8635 16.8635 17.1272 17.1272 17.6709 17.6709 18.1870 18.1870 18.1980 18.1980 k = 0.1786 0.1031 0.2916 ( 4663 PWs) bands (ev): -11.1298 -11.1298 -9.9919 -9.9919 -9.2777 -9.2777 -9.0728 -9.0728 -8.9517 -8.9517 -8.8433 -8.8433 -8.7098 -8.7098 -8.6662 -8.6662 1.5671 1.5671 1.9318 1.9318 1.9368 1.9368 2.0642 2.0642 2.2410 2.2410 2.5069 2.5069 2.5445 2.5445 3.5304 3.5304 3.5942 3.5942 3.6315 3.6315 3.7420 3.7420 3.8548 3.8548 4.0763 4.0763 4.0975 4.0975 4.1682 4.1682 4.6526 4.6526 4.8543 4.8543 4.8761 4.8761 5.5214 5.5214 5.5694 5.5694 5.5923 5.5923 5.6509 5.6509 6.1216 6.1216 6.4689 6.4689 6.5627 6.5627 6.8263 6.8263 6.8491 6.8491 6.8616 6.8616 6.9176 6.9176 7.1370 7.1370 7.5237 7.5237 7.5478 7.5478 7.7664 7.7664 8.1074 8.1074 13.6561 13.6561 15.4988 15.4988 16.3385 16.3385 16.8118 16.8118 17.0749 17.0749 17.5668 17.5668 18.0835 18.0835 18.0948 18.0948 k = 0.1696 0.0979 0.2770 ( 4673 PWs) bands (ev): -11.1516 -11.1516 -9.9720 -9.9720 -9.2623 -9.2623 -9.0766 -9.0766 -8.9628 -8.9628 -8.8306 -8.8306 -8.7072 -8.7072 -8.6667 -8.6667 1.5339 1.5339 1.9132 1.9132 1.9171 1.9171 2.0341 2.0341 2.2174 2.2174 2.4727 2.4727 2.5082 2.5082 3.5362 3.5362 3.5978 3.5978 3.6294 3.6294 3.7343 3.7343 3.8460 3.8460 4.0611 4.0611 4.0970 4.0970 4.1676 4.1676 4.7273 4.7273 4.8679 4.8679 4.8832 4.8832 5.5444 5.5444 5.5836 5.5836 5.5887 5.5887 5.6884 5.6884 6.1055 6.1055 6.4701 6.4701 6.6050 6.6050 6.8321 6.8321 6.8564 6.8564 6.8805 6.8805 6.9890 6.9890 7.1593 7.1593 7.5397 7.5397 7.5555 7.5555 7.8033 7.8033 8.1135 8.1135 13.5686 13.5686 15.5071 15.5071 16.3297 16.3297 16.7602 16.7602 17.0251 17.0251 17.4622 17.4622 17.9829 17.9829 17.9947 17.9947 k = 0.1607 0.0928 0.2624 ( 4673 PWs) bands (ev): -11.1725 -11.1725 -9.9528 -9.9528 -9.2470 -9.2470 -9.0799 -9.0799 -8.9735 -8.9735 -8.8182 -8.8182 -8.7047 -8.7047 -8.6676 -8.6676 1.5012 1.5012 1.8942 1.8942 1.8984 1.8984 2.0046 2.0046 2.1948 2.1948 2.4393 2.4393 2.4728 2.4728 3.5413 3.5413 3.6013 3.6013 3.6276 3.6276 3.7258 3.7258 3.8384 3.8384 4.0358 4.0358 4.1058 4.1058 4.1676 4.1676 4.7965 4.7965 4.8861 4.8861 4.8903 4.8903 5.5676 5.5676 5.5850 5.5850 5.5967 5.5967 5.7256 5.7256 6.0912 6.0912 6.4741 6.4741 6.6477 6.6477 6.8373 6.8373 6.8529 6.8529 6.8970 6.8970 7.0714 7.0714 7.1830 7.1830 7.5523 7.5523 7.5660 7.5660 7.8385 7.8385 8.1190 8.1190 13.4820 13.4820 15.5158 15.5158 16.3210 16.3210 16.7090 16.7090 16.9781 16.9781 17.3577 17.3577 17.8855 17.8855 17.8978 17.8978 k = 0.1518 0.0876 0.2479 ( 4661 PWs) bands (ev): -11.1926 -11.1926 -9.9344 -9.9344 -9.2318 -9.2318 -9.0827 -9.0827 -8.9838 -8.9838 -8.8062 -8.8062 -8.7024 -8.7024 -8.6687 -8.6687 1.4690 1.4690 1.8754 1.8754 1.8804 1.8804 1.9759 1.9759 2.1731 2.1731 2.4071 2.4071 2.4384 2.4384 3.5459 3.5459 3.6046 3.6046 3.6261 3.6261 3.7166 3.7166 3.8317 3.8317 4.0096 4.0096 4.1149 4.1149 4.1682 4.1682 4.8458 4.8458 4.8967 4.8967 4.9233 4.9233 5.5821 5.5821 5.5928 5.5928 5.6072 5.6072 5.7613 5.7613 6.0787 6.0787 6.4808 6.4808 6.6899 6.6899 6.8391 6.8391 6.8498 6.8498 6.9122 6.9122 7.1547 7.1547 7.2083 7.2083 7.5609 7.5609 7.5799 7.5799 7.8718 7.8718 8.1238 8.1238 13.3964 13.3964 15.5251 15.5251 16.3125 16.3125 16.6586 16.6586 16.9342 16.9342 17.2542 17.2542 17.7914 17.7914 17.8043 17.8043 k = 0.1429 0.0825 0.2333 ( 4665 PWs) bands (ev): -11.2118 -11.2118 -9.9168 -9.9168 -9.2168 -9.2168 -9.0850 -9.0850 -8.9937 -8.9937 -8.7946 -8.7946 -8.7003 -8.7003 -8.6701 -8.6701 1.4376 1.4376 1.8571 1.8571 1.8627 1.8627 1.9481 1.9481 2.1524 2.1524 2.3760 2.3760 2.4053 2.4053 3.5501 3.5501 3.6076 3.6076 3.6247 3.6247 3.7071 3.7071 3.8259 3.8259 3.9836 3.9836 4.1236 4.1236 4.1691 4.1691 4.8683 4.8683 4.9028 4.9028 4.9853 4.9853 5.5824 5.5824 5.6119 5.6119 5.6209 5.6209 5.7948 5.7948 6.0679 6.0679 6.4899 6.4899 6.7306 6.7306 6.8320 6.8320 6.8542 6.8542 6.9263 6.9263 7.2307 7.2307 7.2410 7.2410 7.5676 7.5676 7.5954 7.5954 7.9032 7.9032 8.1279 8.1279 13.3123 13.3123 15.5349 15.5349 16.3041 16.3041 16.6093 16.6093 16.8938 16.8938 17.1524 17.1524 17.7007 17.7007 17.7144 17.7144 k = 0.1339 0.0773 0.2187 ( 4667 PWs) bands (ev): -11.2302 -11.2302 -9.9002 -9.9002 -9.2021 -9.2021 -9.0867 -9.0867 -9.0031 -9.0031 -8.7834 -8.7834 -8.6984 -8.6984 -8.6717 -8.6717 1.4072 1.4072 1.8396 1.8396 1.8457 1.8457 1.9213 1.9213 2.1324 2.1324 2.3463 2.3463 2.3736 2.3736 3.5540 3.5540 3.6103 3.6103 3.6235 3.6235 3.6976 3.6976 3.8206 3.8206 3.9581 3.9581 4.1316 4.1316 4.1703 4.1703 4.8802 4.8802 4.9082 4.9082 5.0558 5.0558 5.5835 5.5835 5.6207 5.6207 5.6446 5.6446 5.8257 5.8257 6.0588 6.0588 6.5011 6.5011 6.7692 6.7692 6.8213 6.8213 6.8617 6.8617 6.9392 6.9392 7.2621 7.2621 7.3171 7.3171 7.5735 7.5735 7.6121 7.6121 7.9327 7.9327 8.1314 8.1314 13.2299 13.2299 15.5453 15.5453 16.2956 16.2956 16.5615 16.5615 16.8573 16.8573 17.0529 17.0529 17.6136 17.6136 17.6283 17.6283 k = 0.1250 0.0722 0.2041 ( 4645 PWs) bands (ev): -11.2475 -11.2475 -9.8845 -9.8845 -9.1878 -9.1878 -9.0879 -9.0879 -9.0120 -9.0120 -8.7728 -8.7728 -8.6969 -8.6969 -8.6736 -8.6736 1.3778 1.3778 1.8229 1.8229 1.8293 1.8293 1.8957 1.8957 2.1133 2.1133 2.3181 2.3181 2.3433 2.3433 3.5577 3.5577 3.6123 3.6123 3.6228 3.6228 3.6885 3.6885 3.8160 3.8160 3.9336 3.9336 4.1392 4.1392 4.1719 4.1719 4.8887 4.8887 4.9130 4.9130 5.1268 5.1268 5.5858 5.5858 5.6269 5.6269 5.6706 5.6706 5.8540 5.8540 6.0512 6.0512 6.5139 6.5139 6.8031 6.8031 6.8110 6.8110 6.8706 6.8706 6.9510 6.9510 7.2920 7.2920 7.3914 7.3914 7.5791 7.5791 7.6309 7.6309 7.9601 7.9601 8.1343 8.1343 13.1496 13.1496 15.5564 15.5564 16.2868 16.2868 16.5155 16.5155 16.8251 16.8251 16.9564 16.9564 17.5302 17.5302 17.5461 17.5461 k = 0.1161 0.0670 0.1895 ( 4661 PWs) bands (ev): -11.2638 -11.2638 -9.8698 -9.8698 -9.1740 -9.1740 -9.0885 -9.0885 -9.0204 -9.0204 -8.7627 -8.7627 -8.6956 -8.6956 -8.6755 -8.6755 1.3497 1.3497 1.8071 1.8071 1.8137 1.8137 1.8714 1.8714 2.0950 2.0950 2.2916 2.2916 2.3146 2.3146 3.5611 3.5611 3.6132 3.6132 3.6224 3.6224 3.6798 3.6798 3.8116 3.8116 3.9103 3.9103 4.1460 4.1460 4.1735 4.1735 4.8956 4.8956 4.9171 4.9171 5.1959 5.1959 5.5889 5.5889 5.6316 5.6316 5.6977 5.6977 5.8797 5.8797 6.0451 6.0451 6.5275 6.5275 6.7946 6.7946 6.8387 6.8387 6.8809 6.8809 6.9618 6.9618 7.3231 7.3231 7.4576 7.4576 7.5844 7.5844 7.6544 7.6544 7.9856 7.9856 8.1366 8.1366 13.0718 13.0718 15.5681 15.5681 16.2776 16.2776 16.4715 16.4715 16.7973 16.7973 16.8637 16.8637 17.4510 17.4510 17.4679 17.4679 k = 0.1071 0.0619 0.1750 ( 4659 PWs) bands (ev): -11.2790 -11.2790 -9.8562 -9.8562 -9.1608 -9.1608 -9.0886 -9.0886 -9.0282 -9.0282 -8.7532 -8.7532 -8.6946 -8.6946 -8.6776 -8.6776 1.3230 1.3230 1.7923 1.7923 1.7990 1.7990 1.8485 1.8485 2.0774 2.0774 2.2668 2.2668 2.2875 2.2875 3.5645 3.5645 3.6130 3.6130 3.6227 3.6227 3.6716 3.6716 3.8075 3.8075 3.8884 3.8884 4.1524 4.1524 4.1752 4.1752 4.9016 4.9016 4.9205 4.9205 5.2620 5.2620 5.5929 5.5929 5.6353 5.6353 5.7258 5.7258 5.9028 5.9028 6.0403 6.0403 6.5413 6.5413 6.7800 6.7800 6.8678 6.8678 6.8930 6.8930 6.9716 6.9716 7.3552 7.3552 7.5113 7.5113 7.5894 7.5894 7.6866 7.6866 8.0091 8.0091 8.1384 8.1384 12.9969 12.9969 15.5806 15.5806 16.2679 16.2679 16.4299 16.4299 16.7665 16.7665 16.7831 16.7831 17.3761 17.3761 17.3939 17.3939 k = 0.0982 0.0567 0.1604 ( 4663 PWs) bands (ev): -11.2932 -11.2932 -9.8437 -9.8437 -9.1483 -9.1483 -9.0882 -9.0882 -9.0355 -9.0355 -8.7443 -8.7443 -8.6939 -8.6939 -8.6797 -8.6797 1.2979 1.2979 1.7785 1.7785 1.7853 1.7853 1.8270 1.8270 2.0606 2.0606 2.2439 2.2439 2.2623 2.2623 3.5678 3.5678 3.6119 3.6119 3.6233 3.6233 3.6640 3.6640 3.8037 3.8037 3.8683 3.8683 4.1581 4.1581 4.1769 4.1769 4.9067 4.9067 4.9233 4.9233 5.3240 5.3240 5.5974 5.5974 5.6381 5.6381 5.7549 5.7549 5.9237 5.9237 6.0366 6.0366 6.5547 6.5547 6.7645 6.7645 6.8923 6.8923 6.9077 6.9077 6.9804 6.9804 7.3877 7.3877 7.5490 7.5490 7.5942 7.5942 7.7303 7.7303 8.0305 8.0305 8.1396 8.1396 12.9253 12.9253 15.5938 15.5938 16.2575 16.2575 16.3909 16.3909 16.6877 16.6877 16.7606 16.7606 17.3059 17.3059 17.3243 17.3243 k = 0.0893 0.0515 0.1458 ( 4667 PWs) bands (ev): -11.3062 -11.3062 -9.8323 -9.8323 -9.1365 -9.1365 -9.0874 -9.0874 -9.0423 -9.0423 -8.7361 -8.7361 -8.6935 -8.6935 -8.6818 -8.6818 1.2744 1.2744 1.7658 1.7658 1.7726 1.7726 1.8072 1.8072 2.0446 2.0446 2.2230 2.2230 2.2389 2.2389 3.5709 3.5709 3.6102 3.6102 3.6239 3.6239 3.6570 3.6570 3.8000 3.8000 3.8502 3.8502 4.1633 4.1633 4.1786 4.1786 4.9113 4.9113 4.9256 4.9256 5.3812 5.3812 5.6023 5.6023 5.6401 5.6401 5.7852 5.7852 5.9423 5.9423 6.0339 6.0339 6.5672 6.5672 6.7482 6.7482 6.9114 6.9114 6.9258 6.9258 6.9883 6.9883 7.4203 7.4203 7.5728 7.5728 7.5988 7.5988 7.7829 7.7829 8.0498 8.0498 8.1404 8.1404 12.8575 12.8575 15.6076 15.6076 16.2463 16.2463 16.3546 16.3546 16.6082 16.6082 16.7495 16.7495 17.2406 17.2406 17.2593 17.2593 k = 0.0804 0.0464 0.1312 ( 4659 PWs) bands (ev): -11.3181 -11.3181 -9.8221 -9.8221 -9.1255 -9.1255 -9.0862 -9.0862 -9.0484 -9.0484 -8.7285 -8.7285 -8.6933 -8.6933 -8.6839 -8.6839 1.2527 1.2527 1.7541 1.7541 1.7611 1.7611 1.7891 1.7891 2.0296 2.0296 2.2040 2.2040 2.2176 2.2176 3.5740 3.5740 3.6081 3.6081 3.6242 3.6242 3.6506 3.6506 3.7965 3.7965 3.8343 3.8343 4.1680 4.1680 4.1802 4.1802 4.9154 4.9154 4.9275 4.9275 5.4330 5.4330 5.6073 5.6073 5.6415 5.6415 5.8166 5.8166 5.9589 5.9589 6.0321 6.0321 6.5784 6.5784 6.7314 6.7314 6.9275 6.9275 6.9447 6.9447 6.9954 6.9954 7.4522 7.4522 7.5873 7.5873 7.6033 7.6033 7.8391 7.8391 8.0672 8.0672 8.1408 8.1408 12.7940 12.7940 15.6219 15.6219 16.2344 16.2344 16.3215 16.3215 16.5338 16.5338 16.7447 16.7447 17.1805 17.1805 17.1991 17.1991 k = 0.0714 0.0412 0.1166 ( 4653 PWs) bands (ev): -11.3287 -11.3287 -9.8130 -9.8130 -9.1154 -9.1154 -9.0847 -9.0847 -9.0539 -9.0539 -8.7217 -8.7217 -8.6933 -8.6933 -8.6859 -8.6859 1.2330 1.2330 1.7436 1.7436 1.7508 1.7508 1.7727 1.7727 2.0157 2.0157 2.1870 2.1870 2.1983 2.1983 3.5771 3.5771 3.6059 3.6059 3.6241 3.6241 3.6447 3.6447 3.7930 3.7930 3.8209 3.8209 4.1723 4.1723 4.1817 4.1817 4.9190 4.9190 4.9289 4.9289 5.4786 5.4786 5.6123 5.6123 5.6425 5.6425 5.8488 5.8488 5.9737 5.9737 6.0310 6.0310 6.5881 6.5881 6.7142 6.7142 6.9429 6.9429 6.9620 6.9620 7.0017 7.0017 7.4828 7.4828 7.5963 7.5963 7.6078 7.6078 7.8946 7.8946 8.0825 8.0825 8.1408 8.1408 12.7353 12.7353 15.6367 15.6367 16.2219 16.2219 16.2918 16.2918 16.4650 16.4650 16.7461 16.7461 17.1259 17.1259 17.1441 17.1441 k = 0.0625 0.0361 0.1021 ( 4653 PWs) bands (ev): -11.3382 -11.3382 -9.8050 -9.8050 -9.1064 -9.1064 -9.0831 -9.0831 -9.0589 -9.0589 -8.7156 -8.7156 -8.6935 -8.6935 -8.6878 -8.6878 1.2153 1.2153 1.7343 1.7343 1.7416 1.7416 1.7582 1.7582 2.0029 2.0029 2.1721 2.1721 2.1810 2.1810 3.5800 3.5800 3.6037 3.6037 3.6236 3.6236 3.6392 3.6392 3.7892 3.7892 3.8101 3.8101 4.1760 4.1760 4.1831 4.1831 4.9220 4.9220 4.9299 4.9299 5.5181 5.5181 5.6169 5.6169 5.6432 5.6432 5.8814 5.8814 5.9865 5.9865 6.0305 6.0305 6.5963 6.5963 6.6970 6.6970 6.9576 6.9576 6.9771 6.9771 7.0072 7.0072 7.5116 7.5116 7.6020 7.6020 7.6120 7.6120 7.9471 7.9471 8.0959 8.0959 8.1406 8.1406 12.6818 12.6818 15.6518 15.6518 16.2090 16.2090 16.2657 16.2657 16.4024 16.4024 16.7535 16.7535 17.0770 17.0770 17.0946 17.0946 k = 0.0536 0.0309 0.0875 ( 4643 PWs) bands (ev): -11.3465 -11.3465 -9.7982 -9.7982 -9.0983 -9.0983 -9.0814 -9.0814 -9.0631 -9.0631 -8.7102 -8.7102 -8.6937 -8.6937 -8.6895 -8.6895 1.1998 1.1998 1.7261 1.7261 1.7336 1.7336 1.7456 1.7456 1.9914 1.9914 2.1592 2.1592 2.1660 2.1660 3.5830 3.5830 3.6015 3.6015 3.6229 3.6229 3.6342 3.6342 3.7852 3.7852 3.8020 3.8020 4.1792 4.1792 4.1844 4.1844 4.9247 4.9247 4.9307 4.9307 5.5511 5.5511 5.6211 5.6211 5.6438 5.6438 5.9135 5.9135 5.9976 5.9976 6.0305 6.0305 6.6029 6.6029 6.6801 6.6801 6.9715 6.9715 6.9901 6.9901 7.0121 7.0121 7.5378 7.5378 7.6059 7.6059 7.6155 7.6155 7.9950 7.9950 8.1073 8.1073 8.1402 8.1402 12.6342 12.6342 15.6667 15.6667 16.1958 16.1958 16.2434 16.2434 16.3464 16.3464 16.7668 16.7668 17.0340 17.0340 17.0509 17.0509 k = 0.0446 0.0258 0.0729 ( 4647 PWs) bands (ev): -11.3535 -11.3535 -9.7924 -9.7924 -9.0914 -9.0914 -9.0797 -9.0797 -9.0668 -9.0668 -8.7057 -8.7057 -8.6941 -8.6941 -8.6910 -8.6910 1.1865 1.1865 1.7191 1.7191 1.7269 1.7269 1.7349 1.7349 1.9814 1.9814 2.1483 2.1483 2.1532 2.1532 3.5857 3.5857 3.5994 3.5994 3.6219 3.6219 3.6297 3.6297 3.7810 3.7810 3.7965 3.7965 4.1819 4.1819 4.1855 4.1855 4.9269 4.9269 4.9312 4.9312 5.5780 5.5780 5.6245 5.6245 5.6447 5.6447 5.9439 5.9439 6.0070 6.0070 6.0310 6.0310 6.6081 6.6081 6.6640 6.6640 6.9838 6.9838 7.0011 7.0011 7.0164 7.0164 7.5609 7.5609 7.6087 7.6087 7.6183 7.6183 8.0370 8.0370 8.1168 8.1168 8.1396 8.1396 12.5928 12.5928 15.6813 15.6813 16.1825 16.1825 16.2251 16.2251 16.2977 16.2977 16.7857 16.7857 16.9971 16.9971 17.0133 17.0133 k = 0.0357 0.0206 0.0583 ( 4651 PWs) bands (ev): -11.3592 -11.3592 -9.7877 -9.7877 -9.0858 -9.0858 -9.0782 -9.0782 -9.0697 -9.0697 -8.7020 -8.7020 -8.6945 -8.6945 -8.6922 -8.6922 1.1755 1.1755 1.7132 1.7132 1.7214 1.7214 1.7263 1.7263 1.9730 1.9730 2.1394 2.1394 2.1426 2.1426 3.5882 3.5882 3.5975 3.5975 3.6208 3.6208 3.6257 3.6257 3.7769 3.7769 3.7928 3.7928 4.1842 4.1842 4.1865 4.1865 4.9287 4.9287 4.9315 4.9315 5.5990 5.5990 5.6272 5.6272 5.6461 5.6461 5.9711 5.9711 6.0146 6.0146 6.0319 6.0319 6.6121 6.6121 6.6493 6.6493 6.9941 6.9941 7.0102 7.0102 7.0201 7.0201 7.5804 7.5804 7.6107 7.6107 7.6206 7.6206 8.0724 8.0724 8.1245 8.1245 8.1391 8.1391 12.5583 12.5583 15.6948 15.6948 16.1696 16.1696 16.2107 16.2107 16.2571 16.2571 16.8098 16.8098 16.9665 16.9665 16.9822 16.9822 k = 0.0268 0.0155 0.0437 ( 4647 PWs) bands (ev): -11.3637 -11.3637 -9.7841 -9.7841 -9.0813 -9.0813 -9.0769 -9.0769 -9.0720 -9.0720 -8.6993 -8.6993 -8.6948 -8.6948 -8.6931 -8.6931 1.1668 1.1668 1.7085 1.7085 1.7171 1.7171 1.7197 1.7197 1.9663 1.9663 2.1325 2.1325 2.1343 2.1343 3.5904 3.5904 3.5959 3.5959 3.6197 3.6197 3.6224 3.6224 3.7736 3.7736 3.7904 3.7904 4.1860 4.1860 4.1873 4.1873 4.9301 4.9301 4.9317 4.9317 5.6142 5.6142 5.6290 5.6290 5.6480 5.6480 5.9935 5.9935 6.0210 6.0210 6.0331 6.0331 6.6150 6.6150 6.6366 6.6366 7.0018 7.0018 7.0176 7.0176 7.0233 7.0233 7.5957 7.5957 7.6122 7.6122 7.6225 7.6225 8.1006 8.1006 8.1303 8.1303 8.1386 8.1386 12.5309 12.5309 15.7067 15.7067 16.1574 16.1574 16.1999 16.1999 16.2254 16.2254 16.8383 16.8383 16.9426 16.9426 16.9578 16.9578 k = 0.0179 0.0103 0.0292 ( 4645 PWs) bands (ev): -11.3669 -11.3669 -9.7816 -9.7816 -9.0784 -9.0784 -9.0758 -9.0758 -9.0735 -9.0735 -8.6976 -8.6976 -8.6948 -8.6948 -8.6937 -8.6937 1.1606 1.1606 1.7050 1.7050 1.7140 1.7140 1.7151 1.7151 1.9615 1.9615 2.1276 2.1276 2.1284 2.1284 3.5922 3.5922 3.5948 3.5948 3.6187 3.6187 3.6199 3.6199 3.7713 3.7713 3.7888 3.7888 4.1873 4.1873 4.1878 4.1878 4.9311 4.9311 4.9318 4.9318 5.6240 5.6240 5.6301 5.6301 5.6504 5.6504 6.0085 6.0085 6.0272 6.0272 6.0345 6.0345 6.6170 6.6170 6.6268 6.6268 7.0069 7.0069 7.0233 7.0233 7.0259 7.0259 7.6063 7.6063 7.6131 7.6131 7.6243 7.6243 8.1211 8.1211 8.1345 8.1345 8.1382 8.1382 12.5111 12.5111 15.7161 15.7161 16.1468 16.1468 16.1924 16.1924 16.2033 16.2033 16.8696 16.8696 16.9260 16.9260 16.9403 16.9403 k = 0.0089 0.0052 0.0146 ( 4645 PWs) bands (ev): -11.3689 -11.3689 -9.7800 -9.7800 -9.0771 -9.0771 -9.0748 -9.0748 -9.0742 -9.0742 -8.6970 -8.6970 -8.6944 -8.6944 -8.6941 -8.6941 1.1569 1.1569 1.7029 1.7029 1.7122 1.7122 1.7125 1.7125 1.9585 1.9585 2.1246 2.1246 2.1249 2.1249 3.5934 3.5934 3.5941 3.5941 3.6181 3.6181 3.6184 3.6184 3.7698 3.7698 3.7879 3.7879 4.1880 4.1880 4.1881 4.1881 4.9316 4.9316 4.9318 4.9318 5.6292 5.6292 5.6306 5.6306 5.6526 5.6526 6.0154 6.0154 6.0334 6.0334 6.0356 6.0356 6.6181 6.6181 6.6206 6.6206 7.0098 7.0098 7.0268 7.0268 7.0275 7.0275 7.6122 7.6122 7.6137 7.6137 7.6260 7.6260 8.1335 8.1335 8.1368 8.1368 8.1381 8.1381 12.4991 12.4991 15.7222 15.7222 16.1392 16.1392 16.1880 16.1880 16.1906 16.1906 16.8965 16.8965 16.9200 16.9200 16.9298 16.9298 k = 0.0000 0.0000 0.0000 ( 4645 PWs) bands (ev): -11.3695 -11.3695 -9.7795 -9.7795 -9.0768 -9.0768 -9.0744 -9.0744 -9.0743 -9.0743 -8.6969 -8.6969 -8.6942 -8.6942 -8.6942 -8.6942 1.1557 1.1557 1.7021 1.7021 1.7116 1.7116 1.7116 1.7116 1.9575 1.9575 2.1237 2.1237 2.1237 2.1237 3.5938 3.5938 3.5938 3.5938 3.6178 3.6178 3.6178 3.6178 3.7694 3.7694 3.7876 3.7876 4.1882 4.1882 4.1882 4.1882 4.9318 4.9318 4.9318 4.9318 5.6308 5.6308 5.6308 5.6308 5.6535 5.6535 6.0171 6.0171 6.0360 6.0360 6.0360 6.0360 6.6185 6.6185 6.6185 6.6185 7.0107 7.0107 7.0281 7.0281 7.0281 7.0281 7.6139 7.6139 7.6139 7.6139 7.6268 7.6268 8.1374 8.1374 8.1374 8.1374 8.1385 8.1385 12.4951 12.4951 15.7243 15.7243 16.1364 16.1364 16.1866 16.1866 16.1866 16.1866 16.9028 16.9028 16.9262 16.9262 16.9262 16.9262 k = 0.0000 0.0000 0.0000 ( 4645 PWs) bands (ev): -11.3695 -11.3695 -9.7795 -9.7795 -9.0768 -9.0768 -9.0744 -9.0744 -9.0743 -9.0743 -8.6969 -8.6969 -8.6942 -8.6942 -8.6942 -8.6942 1.1557 1.1557 1.7021 1.7021 1.7116 1.7116 1.7116 1.7116 1.9575 1.9575 2.1237 2.1237 2.1237 2.1237 3.5938 3.5938 3.5938 3.5938 3.6178 3.6178 3.6178 3.6178 3.7694 3.7694 3.7876 3.7876 4.1882 4.1882 4.1882 4.1882 4.9318 4.9318 4.9318 4.9318 5.6308 5.6308 5.6308 5.6308 5.6535 5.6535 6.0171 6.0171 6.0360 6.0360 6.0360 6.0360 6.6185 6.6185 6.6185 6.6185 7.0107 7.0107 7.0281 7.0281 7.0281 7.0281 7.6139 7.6139 7.6139 7.6139 7.6268 7.6268 8.1374 8.1374 8.1374 8.1374 8.1385 8.1385 12.4951 12.4951 15.7243 15.7243 16.1364 16.1364 16.1866 16.1866 16.1866 16.1866 16.9028 16.9028 16.9262 16.9262 16.9262 16.9262 k = 0.0143 0.0082 0.0058 ( 4645 PWs) bands (ev): -11.3689 -11.3689 -9.7800 -9.7800 -9.0771 -9.0771 -9.0748 -9.0748 -9.0742 -9.0742 -8.6969 -8.6969 -8.6944 -8.6944 -8.6941 -8.6941 1.1569 1.1569 1.7028 1.7028 1.7123 1.7123 1.7123 1.7123 1.9585 1.9585 2.1247 2.1247 2.1247 2.1247 3.5935 3.5935 3.5939 3.5939 3.6181 3.6181 3.6184 3.6184 3.7698 3.7698 3.7879 3.7879 4.1880 4.1880 4.1881 4.1881 4.9317 4.9317 4.9318 4.9318 5.6292 5.6292 5.6307 5.6307 5.6526 5.6526 6.0155 6.0155 6.0335 6.0335 6.0355 6.0355 6.6193 6.6193 6.6193 6.6193 7.0098 7.0098 7.0270 7.0270 7.0274 7.0274 7.6122 7.6122 7.6137 7.6137 7.6261 7.6261 8.1334 8.1334 8.1372 8.1372 8.1380 8.1380 12.4989 12.4989 15.7223 15.7223 16.1391 16.1391 16.1881 16.1881 16.1903 16.1903 16.8969 16.8969 16.9200 16.9200 16.9296 16.9296 k = 0.0286 0.0165 0.0117 ( 4645 PWs) bands (ev): -11.3670 -11.3670 -9.7815 -9.7815 -9.0788 -9.0788 -9.0750 -9.0750 -9.0738 -9.0738 -8.6973 -8.6973 -8.6951 -8.6951 -8.6936 -8.6936 1.1604 1.1604 1.7050 1.7050 1.7144 1.7144 1.7145 1.7145 1.9613 1.9613 2.1278 2.1278 2.1279 2.1279 3.5927 3.5927 3.5943 3.5943 3.6187 3.6187 3.6198 3.6198 3.7712 3.7712 3.7888 3.7888 4.1874 4.1874 4.1877 4.1877 4.9313 4.9313 4.9316 4.9316 5.6240 5.6240 5.6303 5.6303 5.6506 5.6506 6.0099 6.0099 6.0260 6.0260 6.0349 6.0349 6.6217 6.6217 6.6218 6.6218 7.0072 7.0072 7.0239 7.0239 7.0254 7.0254 7.6067 7.6067 7.6132 7.6132 7.6244 7.6244 8.1206 8.1206 8.1366 8.1366 8.1374 8.1374 12.5104 12.5104 15.7164 15.7164 16.1466 16.1466 16.1928 16.1928 16.2018 16.2018 16.8711 16.8711 16.9253 16.9253 16.9396 16.9396 k = 0.0429 0.0247 0.0175 ( 4645 PWs) bands (ev): -11.3640 -11.3640 -9.7839 -9.7839 -9.0825 -9.0825 -9.0745 -9.0745 -9.0730 -9.0730 -8.6982 -8.6982 -8.6962 -8.6962 -8.6927 -8.6927 1.1664 1.1664 1.7085 1.7085 1.7179 1.7179 1.7181 1.7181 1.9660 1.9660 2.1329 2.1329 2.1331 2.1331 3.5915 3.5915 3.5950 3.5950 3.6196 3.6196 3.6222 3.6222 3.7735 3.7735 3.7903 3.7903 4.1863 4.1863 4.1871 4.1871 4.9305 4.9305 4.9313 4.9313 5.6142 5.6142 5.6296 5.6296 5.6483 5.6483 5.9995 5.9995 6.0140 6.0140 6.0355 6.0355 6.6255 6.6255 6.6258 6.6258 7.0028 7.0028 7.0189 7.0189 7.0222 7.0222 7.5964 7.5964 7.6123 7.6123 7.6226 7.6226 8.0994 8.0994 8.1356 8.1356 8.1363 8.1363 12.5295 12.5295 15.7071 15.7071 16.1577 16.1577 16.2006 16.2006 16.2217 16.2217 16.8408 16.8408 16.9410 16.9410 16.9563 16.9563 k = 0.0571 0.0330 0.0233 ( 4645 PWs) bands (ev): -11.3597 -11.3597 -9.7874 -9.7874 -9.0878 -9.0878 -9.0736 -9.0736 -9.0720 -9.0720 -8.6996 -8.6996 -8.6977 -8.6977 -8.6913 -8.6913 1.1747 1.1747 1.7134 1.7134 1.7228 1.7228 1.7231 1.7231 1.9725 1.9725 2.1401 2.1401 2.1404 2.1404 3.5898 3.5898 3.5961 3.5961 3.6208 3.6208 3.6251 3.6251 3.7767 3.7767 3.7926 3.7926 4.1848 4.1848 4.1861 4.1861 4.9295 4.9295 4.9308 4.9308 5.5997 5.5997 5.6283 5.6283 5.6460 5.6460 5.9845 5.9845 5.9980 5.9980 6.0374 6.0374 6.6303 6.6303 6.6307 6.6307 6.9965 6.9965 7.0120 7.0120 7.0180 7.0180 7.5813 7.5813 7.6111 7.6111 7.6210 7.6210 8.0701 8.0701 8.1341 8.1341 8.1347 8.1347 12.5557 12.5557 15.6950 15.6950 16.1713 16.1713 16.2115 16.2115 16.2500 16.2500 16.8130 16.8130 16.9637 16.9637 16.9794 16.9794 k = 0.0714 0.0412 0.0292 ( 4645 PWs) bands (ev): -11.3541 -11.3541 -9.7919 -9.7919 -9.0944 -9.0944 -9.0723 -9.0723 -9.0706 -9.0706 -8.7015 -8.7015 -8.6996 -8.6996 -8.6895 -8.6895 1.1852 1.1852 1.7197 1.7197 1.7292 1.7292 1.7295 1.7295 1.9808 1.9808 2.1493 2.1493 2.1498 2.1498 3.5879 3.5879 3.5975 3.5975 3.6222 3.6222 3.6285 3.6285 3.7804 3.7804 3.7962 3.7962 4.1829 4.1829 4.1850 4.1850 4.9280 4.9280 4.9301 4.9301 5.5805 5.5805 5.6261 5.6261 5.6432 5.6432 5.9658 5.9658 5.9787 5.9787 6.0404 6.0404 6.6356 6.6356 6.6362 6.6362 6.9884 6.9884 7.0034 7.0034 7.0129 7.0129 7.5616 7.5616 7.6098 7.6098 7.6193 7.6193 8.0331 8.0331 8.1321 8.1321 8.1327 8.1327 12.5889 12.5889 15.6808 15.6808 16.1873 16.1873 16.2255 16.2255 16.2859 16.2859 16.7897 16.7897 16.9930 16.9930 17.0089 17.0089 k = 0.0857 0.0495 0.0350 ( 4651 PWs) bands (ev): -11.3474 -11.3474 -9.7975 -9.7975 -9.1022 -9.1022 -9.0707 -9.0707 -9.0690 -9.0690 -8.7039 -8.7039 -8.7020 -8.7020 -8.6874 -8.6874 1.1979 1.1979 1.7274 1.7274 1.7369 1.7369 1.7373 1.7373 1.9908 1.9908 2.1604 2.1604 2.1612 2.1612 3.5857 3.5857 3.5992 3.5992 3.6237 3.6237 3.6321 3.6321 3.7844 3.7844 3.8016 3.8016 4.1806 4.1806 4.1835 4.1835 4.9262 4.9262 4.9292 4.9292 5.5571 5.5571 5.6225 5.6225 5.6395 5.6395 5.9447 5.9447 5.9570 5.9570 6.0444 6.0444 6.6411 6.6411 6.6418 6.6418 6.9788 6.9788 6.9936 6.9936 7.0070 7.0070 7.5374 7.5374 7.6082 7.6082 7.6177 7.6177 7.9888 7.9888 8.1296 8.1296 8.1301 8.1301 12.6285 12.6285 15.6649 15.6649 16.2057 16.2057 16.2424 16.2424 16.3281 16.3281 16.7719 16.7719 17.0284 17.0284 17.0446 17.0446 k = 0.1000 0.0577 0.0408 ( 4657 PWs) bands (ev): -11.3395 -11.3395 -9.8042 -9.8042 -9.1111 -9.1111 -9.0688 -9.0688 -9.0671 -9.0671 -8.7066 -8.7066 -8.7048 -8.7048 -8.6852 -8.6852 1.2128 1.2128 1.7364 1.7364 1.7460 1.7460 1.7464 1.7464 2.0024 2.0024 2.1735 2.1735 2.1746 2.1746 3.5834 3.5834 3.6011 3.6011 3.6253 3.6253 3.6359 3.6359 3.7879 3.7879 3.8096 3.8096 4.1780 4.1780 4.1818 4.1818 4.9238 4.9238 4.9279 4.9279 5.5301 5.5301 5.6169 5.6169 5.6341 5.6341 5.9221 5.9221 5.9340 5.9340 6.0493 6.0493 6.6461 6.6461 6.6468 6.6468 6.9680 6.9680 6.9827 6.9827 7.0003 7.0003 7.5087 7.5087 7.6065 7.6065 7.6160 7.6160 7.9378 7.9378 8.1265 8.1265 8.1269 8.1269 12.6742 12.6742 15.6477 15.6477 16.2267 16.2267 16.2623 16.2623 16.3750 16.3750 16.7606 16.7606 17.0698 17.0698 17.0863 17.0863 k = 0.1143 0.0660 0.0467 ( 4660 PWs) bands (ev): -11.3304 -11.3304 -9.8120 -9.8120 -9.1207 -9.1207 -9.0666 -9.0666 -9.0649 -9.0649 -8.7098 -8.7098 -8.7080 -8.7080 -8.6828 -8.6828 1.2298 1.2298 1.7467 1.7467 1.7564 1.7564 1.7568 1.7568 2.0155 2.0155 2.1885 2.1885 2.1900 2.1900 3.5809 3.5809 3.6031 3.6031 3.6269 3.6269 3.6400 3.6400 3.7909 3.7909 3.8201 3.8201 4.1751 4.1751 4.1798 4.1798 4.9209 4.9209 4.9263 4.9263 5.5000 5.5000 5.6086 5.6086 5.6261 5.6261 5.8993 5.8993 5.9107 5.9107 6.0549 6.0549 6.6502 6.6502 6.6510 6.6510 6.9565 6.9565 6.9713 6.9713 6.9929 6.9929 7.4758 7.4758 7.6048 7.6048 7.6143 7.6143 7.8806 7.8806 8.1227 8.1227 8.1230 8.1230 12.7254 12.7254 15.6294 15.6294 16.2503 16.2503 16.2851 16.2851 16.4243 16.4243 16.7575 16.7575 17.1170 17.1170 17.1336 17.1336 k = 0.1286 0.0742 0.0525 ( 4660 PWs) bands (ev): -11.3202 -11.3202 -9.8209 -9.8209 -9.1310 -9.1310 -9.0641 -9.0641 -9.0624 -9.0624 -8.7133 -8.7133 -8.7115 -8.7115 -8.6805 -8.6805 1.2486 1.2486 1.7583 1.7583 1.7681 1.7681 1.7683 1.7683 2.0301 2.0301 2.2054 2.2054 2.2073 2.2073 3.5785 3.5785 3.6050 3.6050 3.6285 3.6285 3.6444 3.6444 3.7936 3.7936 3.8332 3.8332 4.1719 4.1719 4.1777 4.1777 4.9172 4.9172 4.9242 4.9242 5.4671 5.4671 5.5969 5.5969 5.6149 5.6149 5.8775 5.8775 5.8884 5.8884 6.0613 6.0613 6.6529 6.6529 6.6537 6.6537 6.9447 6.9447 6.9598 6.9598 6.9846 6.9846 7.4386 7.4386 7.6032 7.6032 7.6126 7.6126 7.8178 7.8178 8.1182 8.1182 8.1185 8.1185 12.7815 12.7815 15.6103 15.6103 16.2765 16.2765 16.3107 16.3107 16.4730 16.4730 16.7650 16.7650 17.1696 17.1696 17.1864 17.1864 k = 0.1429 0.0825 0.0583 ( 4666 PWs) bands (ev): -11.3088 -11.3088 -9.8311 -9.8311 -9.1418 -9.1418 -9.0613 -9.0613 -9.0596 -9.0596 -8.7173 -8.7173 -8.7155 -8.7155 -8.6782 -8.6782 1.2693 1.2693 1.7709 1.7709 1.7810 1.7810 1.7810 1.7810 2.0461 2.0461 2.2241 2.2241 2.2264 2.2264 3.5759 3.5759 3.6063 3.6063 3.6301 3.6301 3.6496 3.6496 3.7962 3.7962 3.8483 3.8483 4.1684 4.1684 4.1752 4.1752 4.9126 4.9126 4.9215 4.9215 5.4323 5.4323 5.5810 5.5810 5.5997 5.5997 5.8577 5.8577 5.8680 5.8680 6.0684 6.0684 6.6537 6.6537 6.6545 6.6545 6.9331 6.9331 6.9486 6.9486 6.9755 6.9755 7.3972 7.3972 7.6016 7.6016 7.6110 7.6110 7.7502 7.7502 8.1130 8.1130 8.1132 8.1132 12.8422 12.8422 15.5902 15.5902 16.3052 16.3052 16.3389 16.3389 16.5169 16.5169 16.7869 16.7869 17.2273 17.2273 17.2444 17.2444 k = 0.1571 0.0907 0.0642 ( 4663 PWs) bands (ev): -11.2964 -11.2964 -9.8425 -9.8425 -9.1528 -9.1528 -9.0583 -9.0583 -9.0566 -9.0566 -8.7216 -8.7216 -8.7198 -8.7198 -8.6760 -8.6760 1.2917 1.2917 1.7847 1.7847 1.7948 1.7948 1.7951 1.7951 2.0634 2.0634 2.2445 2.2445 2.2474 2.2474 3.5732 3.5732 3.6070 3.6070 3.6317 3.6317 3.6556 3.6556 3.7985 3.7985 3.8654 3.8654 4.1648 4.1648 4.1724 4.1724 4.9071 4.9071 4.9182 4.9182 5.3960 5.3960 5.5606 5.5606 5.5801 5.5801 5.8408 5.8408 5.8503 5.8503 6.0763 6.0763 6.6525 6.6525 6.6531 6.6531 6.9223 6.9223 6.9384 6.9384 6.9657 6.9657 7.3518 7.3518 7.6001 7.6001 7.6095 7.6095 7.6783 7.6783 8.1071 8.1071 8.1072 8.1072 12.9068 12.9068 15.5694 15.5694 16.3363 16.3363 16.3696 16.3696 16.5523 16.5523 16.8263 16.8263 17.2899 17.2899 17.3072 17.3072 k = 0.1714 0.0990 0.0700 ( 4681 PWs) bands (ev): -11.2829 -11.2829 -9.8551 -9.8551 -9.1640 -9.1640 -9.0550 -9.0550 -9.0533 -9.0533 -8.7262 -8.7262 -8.7245 -8.7245 -8.6739 -8.6739 1.3157 1.3157 1.7994 1.7994 1.8096 1.8096 1.8101 1.8101 2.0820 2.0820 2.2666 2.2666 2.2701 2.2701 3.5705 3.5705 3.6069 3.6069 3.6333 3.6333 3.6625 3.6625 3.8007 3.8007 3.8840 3.8840 4.1608 4.1608 4.1693 4.1693 4.9003 4.9003 4.9138 4.9138 5.3590 5.3590 5.5358 5.5358 5.5563 5.5563 5.8267 5.8267 5.8354 5.8354 6.0848 6.0848 6.6488 6.6488 6.6494 6.6494 6.9126 6.9126 6.9295 6.9295 6.9551 6.9551 7.3021 7.3021 7.5988 7.5988 7.6012 7.6012 7.6099 7.6099 8.1003 8.1003 8.1004 8.1004 12.9749 12.9749 15.5478 15.5478 16.3697 16.3697 16.4026 16.4026 16.5783 16.5783 16.8835 16.8835 17.3570 17.3570 17.3744 17.3744 k = 0.1857 0.1072 0.0758 ( 4687 PWs) bands (ev): -11.2683 -11.2683 -9.8690 -9.8690 -9.1752 -9.1752 -9.0514 -9.0514 -9.0497 -9.0497 -8.7312 -8.7312 -8.7295 -8.7295 -8.6720 -8.6720 1.3412 1.3412 1.8150 1.8150 1.8253 1.8253 1.8261 1.8261 2.1019 2.1019 2.2904 2.2904 2.2945 2.2945 3.5679 3.5679 3.6059 3.6059 3.6348 3.6348 3.6705 3.6705 3.8027 3.8027 3.9039 3.9039 4.1567 4.1567 4.1658 4.1658 4.8920 4.8920 4.9084 4.9084 5.3220 5.3220 5.5073 5.5073 5.5291 5.5291 5.8153 5.8153 5.8230 5.8230 6.0940 6.0940 6.6429 6.6429 6.6435 6.6435 6.9044 6.9044 6.9220 6.9220 6.9438 6.9438 7.2482 7.2482 7.5242 7.5242 7.5977 7.5977 7.6076 7.6076 8.0928 8.0928 8.0928 8.0928 13.0459 13.0459 15.5254 15.5254 16.4052 16.4052 16.4378 16.4378 16.5974 16.5974 16.9556 16.9556 17.4282 17.4282 17.4459 17.4459 k = 0.2000 0.1155 0.0816 ( 4675 PWs) bands (ev): -11.2528 -11.2528 -9.8842 -9.8842 -9.1862 -9.1862 -9.0476 -9.0476 -9.0458 -9.0458 -8.7365 -8.7365 -8.7348 -8.7348 -8.6703 -8.6703 1.3679 1.3679 1.8313 1.8313 1.8417 1.8417 1.8427 1.8427 2.1230 2.1230 2.3156 2.3156 2.3205 2.3205 3.5653 3.5653 3.6044 3.6044 3.6364 3.6364 3.6793 3.6793 3.8044 3.8044 3.9249 3.9249 4.1526 4.1526 4.1620 4.1620 4.8820 4.8820 4.9014 4.9014 5.2860 5.2860 5.4761 5.4761 5.4997 5.4997 5.8057 5.8057 5.8126 5.8126 6.1038 6.1038 6.6349 6.6349 6.6355 6.6355 6.8976 6.8976 6.9161 6.9161 6.9319 6.9319 7.1902 7.1902 7.4439 7.4439 7.5970 7.5970 7.6069 7.6069 8.0844 8.0844 8.0844 8.0844 13.1194 13.1194 15.5022 15.5022 16.4427 16.4427 16.4750 16.4750 16.6128 16.6128 17.0389 17.0389 17.5032 17.5032 17.5211 17.5211 k = 0.2143 0.1237 0.0875 ( 4675 PWs) bands (ev): -11.2363 -11.2363 -9.9005 -9.9005 -9.1970 -9.1970 -9.0435 -9.0435 -9.0417 -9.0417 -8.7421 -8.7421 -8.7404 -8.7404 -8.6688 -8.6688 1.3958 1.3958 1.8483 1.8483 1.8589 1.8589 1.8599 1.8599 2.1454 2.1454 2.3422 2.3422 2.3480 2.3480 3.5627 3.5627 3.6022 3.6022 3.6379 3.6379 3.6887 3.6887 3.8058 3.8058 3.9466 3.9466 4.1482 4.1482 4.1577 4.1577 4.8698 4.8698 4.8926 4.8926 5.2520 5.2520 5.4434 5.4434 5.4691 5.4691 5.7971 5.7971 5.8032 5.8032 6.1142 6.1142 6.6254 6.6254 6.6262 6.6262 6.8920 6.8920 6.9115 6.9115 6.9193 6.9193 7.1279 7.1279 7.3622 7.3622 7.5966 7.5966 7.6066 7.6066 8.0753 8.0753 8.0753 8.0753 13.1950 13.1950 15.4781 15.4781 16.4818 16.4818 16.5140 16.5140 16.6265 16.6265 17.1308 17.1308 17.5816 17.5816 17.5996 17.5996 k = 0.2286 0.1320 0.0933 ( 4672 PWs) bands (ev): -11.2190 -11.2190 -9.9181 -9.9181 -9.2074 -9.2074 -9.0392 -9.0392 -9.0374 -9.0374 -8.7480 -8.7480 -8.7463 -8.7463 -8.6675 -8.6675 1.4248 1.4248 1.8658 1.8658 1.8766 1.8766 1.8772 1.8772 2.1692 2.1692 2.3701 2.3701 2.3769 2.3769 3.5603 3.5603 3.5995 3.5995 3.6393 3.6393 3.6983 3.6983 3.8066 3.8066 3.9689 3.9689 4.1439 4.1439 4.1530 4.1530 4.8551 4.8551 4.8814 4.8814 5.2209 5.2209 5.4105 5.4105 5.4388 5.4388 5.7888 5.7888 5.7940 5.7940 6.1252 6.1252 6.6149 6.6149 6.6160 6.6160 6.8871 6.8871 6.9063 6.9063 6.9080 6.9080 7.0613 7.0613 7.2800 7.2800 7.5966 7.5966 7.6067 7.6067 8.0654 8.0654 8.0654 8.0654 13.2722 13.2722 15.4531 15.4531 16.5225 16.5225 16.5545 16.5545 16.6400 16.6400 17.2295 17.2295 17.6629 17.6629 17.6811 17.6811 k = 0.2429 0.1402 0.0991 ( 4666 PWs) bands (ev): -11.2009 -11.2009 -9.9369 -9.9369 -9.2173 -9.2173 -9.0346 -9.0346 -9.0328 -9.0328 -8.7541 -8.7541 -8.7525 -8.7525 -8.6664 -8.6664 1.4546 1.4546 1.8837 1.8837 1.8945 1.8945 1.8948 1.8948 2.1943 2.1943 2.3993 2.3993 2.4071 2.4071 3.5580 3.5580 3.5964 3.5964 3.6406 3.6406 3.7078 3.7078 3.8068 3.8068 3.9914 3.9914 4.1395 4.1395 4.1479 4.1479 4.8375 4.8375 4.8674 4.8674 5.1938 5.1938 5.3786 5.3786 5.4097 5.4097 5.7800 5.7800 5.7844 5.7844 6.1367 6.1367 6.6042 6.6042 6.6057 6.6057 6.8820 6.8820 6.8930 6.8930 6.9052 6.9052 6.9909 6.9909 7.1980 7.1980 7.5972 7.5972 7.6074 7.6074 8.0547 8.0547 8.0547 8.0547 13.3507 13.3507 15.4271 15.4271 16.5643 16.5643 16.5962 16.5962 16.6537 16.6537 17.3337 17.3337 17.7468 17.7468 17.7652 17.7652 k = 0.2571 0.1485 0.1050 ( 4660 PWs) bands (ev): -11.1820 -11.1820 -9.9567 -9.9567 -9.2267 -9.2267 -9.0298 -9.0298 -9.0280 -9.0280 -8.7605 -8.7605 -8.7589 -8.7589 -8.6655 -8.6655 1.4850 1.4850 1.9019 1.9019 1.9115 1.9115 1.9133 1.9133 2.2208 2.2208 2.4294 2.4294 2.4384 2.4384 3.5558 3.5558 3.5929 3.5929 3.6417 3.6417 3.7163 3.7163 3.8062 3.8062 4.0142 4.0142 4.1353 4.1353 4.1427 4.1427 4.8167 4.8167 4.8501 4.8501 5.1719 5.1719 5.3489 5.3489 5.3829 5.3829 5.7702 5.7702 5.7738 5.7738 6.1486 6.1486 6.5941 6.5941 6.5961 6.5961 6.8725 6.8725 6.8796 6.8796 6.9027 6.9027 6.9205 6.9205 7.1167 7.1167 7.5984 7.5984 7.6086 7.6086 8.0433 8.0433 8.0434 8.0434 13.4300 13.4300 15.4001 15.4001 16.6071 16.6071 16.6389 16.6389 16.6680 16.6680 17.4426 17.4426 17.8327 17.8327 17.8512 17.8512 k = 0.2714 0.1567 0.1108 ( 4669 PWs) bands (ev): -11.1624 -11.1624 -9.9775 -9.9775 -9.2355 -9.2355 -9.0248 -9.0248 -9.0229 -9.0229 -8.7671 -8.7671 -8.7655 -8.7655 -8.6649 -8.6649 1.5160 1.5160 1.9202 1.9202 1.9279 1.9279 1.9319 1.9319 2.2488 2.2488 2.4604 2.4604 2.4706 2.4706 3.5538 3.5538 3.5889 3.5889 3.6427 3.6427 3.7228 3.7228 3.8050 3.8050 4.0371 4.0371 4.1310 4.1310 4.1375 4.1375 4.7923 4.7923 4.8292 4.8292 5.1562 5.1562 5.3224 5.3224 5.3590 5.3590 5.7588 5.7588 5.7617 5.7617 6.1610 6.1610 6.5850 6.5850 6.5877 6.5877 6.8258 6.8258 6.8632 6.8632 6.8857 6.8857 6.9002 6.9002 7.0366 7.0366 7.6002 7.6002 7.6105 7.6105 8.0312 8.0312 8.0314 8.0314 13.5099 13.5099 15.3719 15.3719 16.6505 16.6505 16.6823 16.6823 16.6831 16.6831 17.5557 17.5557 17.9202 17.9202 17.9388 17.9388 k = 0.2857 0.1650 0.1166 ( 4645 PWs) bands (ev): -11.1423 -11.1423 -9.9992 -9.9992 -9.2437 -9.2437 -9.0195 -9.0195 -9.0177 -9.0177 -8.7738 -8.7738 -8.7722 -8.7722 -8.6644 -8.6644 1.5473 1.5473 1.9386 1.9386 1.9435 1.9435 1.9506 1.9506 2.2782 2.2782 2.4921 2.4921 2.5037 2.5037 3.5521 3.5521 3.5847 3.5847 3.6435 3.6435 3.7261 3.7261 3.8037 3.8037 4.0598 4.0598 4.1271 4.1271 4.1335 4.1335 4.7645 4.7645 4.8046 4.8046 5.1477 5.1477 5.2997 5.2997 5.3387 5.3387 5.7457 5.7457 5.7477 5.7477 6.1738 6.1738 6.5775 6.5775 6.5811 6.5811 6.7462 6.7462 6.8481 6.8481 6.8779 6.8779 6.8974 6.8974 6.9580 6.9580 7.6027 7.6027 7.6130 7.6130 8.0184 8.0184 8.0187 8.0187 13.5900 13.5900 15.3425 15.3425 16.6935 16.6935 16.6996 16.6996 16.7261 16.7261 17.6725 17.6725 18.0086 18.0086 18.0275 18.0275 k = 0.3000 0.1732 0.1225 ( 4657 PWs) bands (ev): -11.1217 -11.1217 -10.0216 -10.0216 -9.2513 -9.2513 -9.0141 -9.0141 -9.0122 -9.0122 -8.7808 -8.7808 -8.7792 -8.7792 -8.6641 -8.6641 1.5788 1.5788 1.9565 1.9565 1.9582 1.9582 1.9692 1.9692 2.3092 2.3092 2.5243 2.5243 2.5373 2.5373 3.5506 3.5506 3.5798 3.5798 3.6439 3.6439 3.7244 3.7244 3.8027 3.8027 4.0808 4.0808 4.1233 4.1233 4.1327 4.1327 4.7332 4.7332 4.7761 4.7761 5.1468 5.1468 5.2813 5.2813 5.3220 5.3220 5.7306 5.7306 5.7318 5.7318 6.1869 6.1869 6.5717 6.5717 6.5766 6.5766 6.6616 6.6616 6.8328 6.8328 6.8642 6.8642 6.8884 6.8884 6.8940 6.8940 7.6060 7.6060 7.6163 7.6163 8.0051 8.0051 8.0055 8.0055 13.6700 13.6700 15.3118 15.3118 16.7147 16.7147 16.7384 16.7384 16.7699 16.7699 17.7923 17.7923 18.0975 18.0975 18.1165 18.1165 k = 0.3143 0.1815 0.1283 ( 4669 PWs) bands (ev): -11.1008 -11.1008 -10.0445 -10.0445 -9.2582 -9.2582 -9.0086 -9.0086 -9.0067 -9.0067 -8.7878 -8.7878 -8.7862 -8.7862 -8.6640 -8.6640 1.6102 1.6102 1.9708 1.9708 1.9748 1.9748 1.9874 1.9874 2.3417 2.3417 2.5567 2.5567 2.5712 2.5712 3.5495 3.5495 3.5740 3.5740 3.6440 3.6440 3.7168 3.7168 3.8028 3.8028 4.0950 4.0950 4.1198 4.1198 4.1411 4.1411 4.6989 4.6989 4.7441 4.7441 5.1538 5.1538 5.2673 5.2673 5.3090 5.3090 5.7136 5.7136 5.7139 5.7139 6.2002 6.2002 6.5630 6.5630 6.5745 6.5745 6.5798 6.5798 6.7976 6.7976 6.8180 6.8180 6.8716 6.8716 6.8897 6.8897 7.6101 7.6101 7.6204 7.6204 7.9912 7.9912 7.9918 7.9918 13.7496 13.7496 15.2798 15.2798 16.7314 16.7314 16.7818 16.7818 16.8134 16.8134 17.9150 17.9150 18.1861 18.1861 18.2052 18.2052 k = 0.3286 0.1897 0.1341 ( 4669 PWs) bands (ev): -11.0797 -11.0797 -10.0678 -10.0678 -9.2645 -9.2645 -9.0029 -9.0029 -9.0009 -9.0009 -8.7949 -8.7949 -8.7934 -8.7934 -8.6639 -8.6639 1.6413 1.6413 1.9824 1.9824 1.9921 1.9921 2.0052 2.0052 2.3758 2.3758 2.5891 2.5891 2.6053 2.6053 3.5487 3.5487 3.5669 3.5669 3.6437 3.6437 3.7033 3.7033 3.8038 3.8038 4.0996 4.0996 4.1168 4.1168 4.1622 4.1622 4.6623 4.6623 4.7096 4.7096 5.1689 5.1689 5.2575 5.2575 5.2997 5.2997 5.6941 5.6941 5.6946 5.6946 6.2136 6.2136 6.4847 6.4847 6.5685 6.5685 6.5748 6.5748 6.7223 6.7223 6.8023 6.8023 6.8647 6.8647 6.8846 6.8846 7.6152 7.6152 7.6254 7.6254 7.9769 7.9769 7.9777 7.9777 13.8286 13.8286 15.2463 15.2463 16.7483 16.7483 16.8245 16.8245 16.8561 16.8561 18.0400 18.0400 18.2738 18.2738 18.2931 18.2931 k = 0.3429 0.1979 0.1400 ( 4669 PWs) bands (ev): -11.0585 -11.0585 -10.0912 -10.0912 -9.2702 -9.2702 -8.9970 -8.9970 -8.9950 -8.9950 -8.8021 -8.8021 -8.8006 -8.8006 -8.6640 -8.6640 1.6719 1.6719 1.9923 1.9923 2.0089 2.0089 2.0224 2.0224 2.4112 2.4112 2.6213 2.6213 2.6392 2.6392 3.5484 3.5484 3.5574 3.5574 3.6429 3.6429 3.6855 3.6855 3.8051 3.8051 4.1000 4.1000 4.1142 4.1142 4.1910 4.1910 4.6241 4.6241 4.6730 4.6730 5.1915 5.1915 5.2517 5.2517 5.2938 5.2938 5.6726 5.6726 5.6738 5.6738 6.2271 6.2271 6.3971 6.3971 6.5668 6.5668 6.5776 6.5776 6.6486 6.6486 6.7869 6.7869 6.8575 6.8575 6.8784 6.8784 7.6211 7.6211 7.6312 7.6312 7.9622 7.9622 7.9632 7.9632 13.9067 13.9067 15.2113 15.2113 16.7651 16.7651 16.8661 16.8661 16.8978 16.8978 18.1671 18.1671 18.3599 18.3599 18.3792 18.3792 k = 0.3571 0.2062 0.1458 ( 4651 PWs) bands (ev): -11.0375 -11.0375 -10.1145 -10.1145 -9.2753 -9.2753 -8.9911 -8.9911 -8.9891 -8.9891 -8.8093 -8.8093 -8.8078 -8.8078 -8.6642 -8.6642 1.7018 1.7018 2.0004 2.0004 2.0249 2.0249 2.0388 2.0388 2.4480 2.4480 2.6528 2.6528 2.6726 2.6726 3.5440 3.5440 3.5487 3.5487 3.6415 3.6415 3.6661 3.6661 3.8059 3.8059 4.1001 4.1001 4.1123 4.1123 4.2238 4.2238 4.5852 4.5852 4.6353 4.6353 5.2211 5.2211 5.2494 5.2494 5.2910 5.2910 5.6496 5.6496 5.6516 5.6516 6.2406 6.2406 6.3104 6.3104 6.5476 6.5476 6.5826 6.5826 6.5949 6.5949 6.7717 6.7717 6.8495 6.8495 6.8711 6.8711 7.6280 7.6280 7.6379 7.6379 7.9473 7.9473 7.9485 7.9485 13.9836 13.9836 15.1748 15.1748 16.7816 16.7816 16.9062 16.9062 16.9381 16.9381 18.2957 18.2957 18.4435 18.4435 18.4628 18.4628 k = 0.3714 0.2144 0.1516 ( 4654 PWs) bands (ev): -11.0169 -11.0169 -10.1374 -10.1374 -9.2797 -9.2797 -8.9852 -8.9852 -8.9831 -8.9831 -8.8164 -8.8164 -8.8149 -8.8149 -8.6645 -8.6645 1.7308 1.7308 2.0067 2.0067 2.0400 2.0400 2.0542 2.0542 2.4859 2.4859 2.6833 2.6833 2.7051 2.7051 3.5247 3.5247 3.5495 3.5495 3.6395 3.6395 3.6481 3.6481 3.8059 3.8059 4.1012 4.1012 4.1110 4.1110 4.2588 4.2588 4.5464 4.5464 4.5972 4.5972 5.2503 5.2503 5.2570 5.2570 5.2911 5.2911 5.6256 5.6256 5.6282 5.6282 6.2256 6.2256 6.2538 6.2538 6.4824 6.4824 6.5896 6.5896 6.5897 6.5897 6.7568 6.7568 6.8405 6.8405 6.8628 6.8628 7.6356 7.6356 7.6453 7.6453 7.9322 7.9322 7.9336 7.9336 14.0591 14.0591 15.1367 15.1367 16.7977 16.7977 16.9443 16.9443 16.9763 16.9763 18.4252 18.4252 18.5239 18.5239 18.5429 18.5429 k = 0.3857 0.2227 0.1575 ( 4663 PWs) bands (ev): -10.9969 -10.9969 -10.1595 -10.1595 -9.2837 -9.2837 -8.9792 -8.9792 -8.9771 -8.9771 -8.8234 -8.8234 -8.8220 -8.8220 -8.6647 -8.6647 1.7585 1.7585 2.0111 2.0111 2.0539 2.0539 2.0685 2.0685 2.5247 2.5247 2.7125 2.7125 2.7362 2.7362 3.4983 3.4983 3.5509 3.5509 3.6340 3.6340 3.6367 3.6367 3.8047 3.8047 4.1037 4.1037 4.1104 4.1104 4.2947 4.2947 4.5091 4.5091 4.5598 4.5598 5.2538 5.2538 5.2929 5.2929 5.2993 5.2993 5.6010 5.6010 5.6039 5.6039 6.1440 6.1440 6.2667 6.2667 6.4079 6.4079 6.5959 6.5959 6.5986 6.5986 6.7424 6.7424 6.8305 6.8305 6.8534 6.8534 7.6440 7.6440 7.6535 7.6535 7.9170 7.9170 7.9186 7.9186 14.1331 14.1331 15.0969 15.0969 16.8129 16.8129 16.9800 16.9800 17.0122 17.0122 18.5541 18.5541 18.6013 18.6013 18.6186 18.6186 k = 0.4000 0.2309 0.1633 ( 4663 PWs) bands (ev): -10.9779 -10.9779 -10.1806 -10.1806 -9.2871 -9.2871 -8.9734 -8.9734 -8.9712 -8.9712 -8.8302 -8.8302 -8.8289 -8.8289 -8.6651 -8.6651 1.7849 1.7849 2.0137 2.0137 2.0667 2.0667 2.0816 2.0816 2.5639 2.5639 2.7399 2.7399 2.7655 2.7655 3.4655 3.4655 3.5531 3.5531 3.6244 3.6244 3.6332 3.6332 3.8023 3.8023 4.1078 4.1078 4.1106 4.1106 4.3292 4.3292 4.4753 4.4753 4.5237 4.5237 5.2597 5.2597 5.2982 5.2982 5.3452 5.3452 5.5761 5.5761 5.5792 5.5792 6.0667 6.0667 6.2790 6.2790 6.3323 6.3323 6.6052 6.6052 6.6090 6.6090 6.7288 6.7288 6.8195 6.8195 6.8430 6.8430 7.6531 7.6531 7.6623 7.6623 7.9019 7.9019 7.9038 7.9038 14.2051 14.2051 15.0556 15.0556 16.8271 16.8271 17.0129 17.0129 17.0452 17.0452 18.6615 18.6615 18.6887 18.6887 18.6949 18.6949 k = 0.4143 0.2392 0.1691 ( 4648 PWs) bands (ev): -10.9602 -10.9602 -10.2003 -10.2003 -9.2900 -9.2900 -8.9677 -8.9677 -8.9655 -8.9655 -8.8368 -8.8368 -8.8355 -8.8355 -8.6654 -8.6654 1.8095 1.8095 2.0145 2.0145 2.0780 2.0780 2.0932 2.0932 2.6030 2.6030 2.7650 2.7650 2.7925 2.7925 3.4286 3.4286 3.5560 3.5560 3.6185 3.6185 3.6289 3.6289 3.7989 3.7989 4.1116 4.1116 4.1137 4.1137 4.3557 4.3557 4.4510 4.4510 4.4899 4.4899 5.2676 5.2676 5.3051 5.3051 5.3954 5.3954 5.5514 5.5514 5.5546 5.5546 5.9951 5.9951 6.2568 6.2568 6.2905 6.2905 6.6163 6.6163 6.6206 6.6206 6.7161 6.7161 6.8077 6.8077 6.8320 6.8320 7.6626 7.6626 7.6716 7.6716 7.8872 7.8872 7.8894 7.8894 14.2750 14.2750 15.0128 15.0128 16.8401 16.8401 17.0426 17.0426 17.0750 17.0750 18.7288 18.7288 18.7522 18.7522 18.8214 18.8214 k = 0.4286 0.2474 0.1750 ( 4645 PWs) bands (ev): -10.9442 -10.9442 -10.2180 -10.2180 -9.2924 -9.2924 -8.9623 -8.9623 -8.9600 -8.9600 -8.8429 -8.8429 -8.8416 -8.8416 -8.6656 -8.6656 1.8321 1.8321 2.0137 2.0137 2.0878 2.0878 2.1033 2.1033 2.6411 2.6411 2.7873 2.7873 2.8166 2.8166 3.3900 3.3900 3.5597 3.5597 3.6151 3.6151 3.6238 3.6238 3.7947 3.7947 4.1134 4.1134 4.1212 4.1212 4.3597 4.3597 4.4502 4.4502 4.4591 4.4591 5.2770 5.2770 5.3136 5.3136 5.4482 5.4482 5.5274 5.5274 5.5308 5.5308 5.9308 5.9308 6.1820 6.1820 6.3010 6.3010 6.6285 6.6285 6.6329 6.6329 6.7046 6.7046 6.7953 6.7953 6.8204 6.8204 7.6723 7.6723 7.6810 7.6810 7.8731 7.8731 7.8755 7.8755 14.3423 14.3423 14.9688 14.9688 16.8515 16.8515 17.0685 17.0685 17.1010 17.1010 18.7851 18.7851 18.8080 18.8080 18.9495 18.9495 k = 0.4429 0.2557 0.1808 ( 4642 PWs) bands (ev): -10.9303 -10.9303 -10.2333 -10.2333 -9.2943 -9.2943 -8.9574 -8.9574 -8.9550 -8.9550 -8.8484 -8.8484 -8.8472 -8.8472 -8.6659 -8.6659 1.8522 1.8522 2.0116 2.0116 2.0960 2.0960 2.1117 2.1117 2.6770 2.6770 2.8064 2.8064 2.8374 2.8374 3.3523 3.3523 3.5641 3.5641 3.6135 3.6135 3.6181 3.6181 3.7901 3.7901 4.1156 4.1156 4.1301 4.1301 4.3420 4.3420 4.4321 4.4321 4.4709 4.4709 5.2875 5.2875 5.3235 5.3235 5.4930 5.4930 5.5049 5.5049 5.5177 5.5177 5.8759 5.8759 6.1085 6.1085 6.3102 6.3102 6.6414 6.6414 6.6453 6.6453 6.6946 6.6946 6.7824 6.7824 6.8087 6.8087 7.6819 7.6819 7.6903 7.6903 7.8599 7.8599 7.8625 7.8625 14.4063 14.4063 14.9240 14.9240 16.8612 16.8612 17.0903 17.0903 17.1230 17.1230 18.8323 18.8323 18.8551 18.8551 19.0746 19.0746 k = 0.4571 0.2639 0.1866 ( 4630 PWs) bands (ev): -10.9189 -10.9189 -10.2459 -10.2459 -9.2958 -9.2958 -8.9531 -8.9531 -8.9507 -8.9507 -8.8532 -8.8532 -8.8520 -8.8520 -8.6661 -8.6661 1.8693 1.8693 2.0086 2.0086 2.1025 2.1025 2.1184 2.1184 2.7091 2.7091 2.8218 2.8218 2.8541 2.8541 3.3180 3.3180 3.5693 3.5693 3.6117 3.6117 3.6130 3.6130 3.7856 3.7856 4.1181 4.1181 4.1399 4.1399 4.3193 4.3193 4.4097 4.4097 4.4958 4.4958 5.2982 5.2982 5.3343 5.3343 5.4808 5.4808 5.4846 5.4846 5.5628 5.5628 5.8334 5.8334 6.0370 6.0370 6.3177 6.3177 6.6544 6.6544 6.6573 6.6573 6.6866 6.6866 6.7695 6.7695 6.7974 6.7974 7.6908 7.6908 7.6990 7.6990 7.8482 7.8482 7.8510 7.8510 14.4659 14.4659 14.8794 14.8794 16.8689 16.8689 17.1077 17.1077 17.1405 17.1405 18.8698 18.8698 18.8926 18.8926 19.1931 19.1931 k = 0.4714 0.2722 0.1925 ( 4636 PWs) bands (ev): -10.9104 -10.9104 -10.2552 -10.2552 -9.2968 -9.2968 -8.9498 -8.9498 -8.9473 -8.9473 -8.8568 -8.8568 -8.8558 -8.8558 -8.6663 -8.6663 1.8828 1.8828 2.0053 2.0053 2.1072 2.1072 2.1232 2.1232 2.7351 2.7351 2.8331 2.8331 2.8664 2.8664 3.2901 3.2901 3.5750 3.5750 3.6050 3.6050 3.6129 3.6129 3.7819 3.7819 4.1204 4.1204 4.1495 4.1495 4.2989 4.2989 4.3929 4.3929 4.5168 4.5168 5.3081 5.3081 5.3450 5.3450 5.4621 5.4621 5.4678 5.4678 5.6125 5.6125 5.8073 5.8073 5.9691 5.9691 6.3234 6.3234 6.6659 6.6659 6.6678 6.6678 6.6811 6.6811 6.7574 6.7574 6.7875 6.7875 7.6983 7.6983 7.7062 7.7062 7.8387 7.8387 7.8417 7.8417 14.5188 14.5188 14.8374 14.8374 16.8746 16.8746 17.1204 17.1204 17.1532 17.1532 18.8970 18.8970 18.9199 18.9199 19.2983 19.2983 k = 0.4857 0.2804 0.1983 ( 4633 PWs) bands (ev): -10.9051 -10.9051 -10.2610 -10.2610 -9.2975 -9.2975 -8.9477 -8.9477 -8.9451 -8.9451 -8.8592 -8.8592 -8.8582 -8.8582 -8.6664 -8.6664 1.8915 1.8915 2.0027 2.0027 2.1101 2.1101 2.1261 2.1261 2.7523 2.7523 2.8400 2.8400 2.8740 2.8740 3.2716 3.2716 3.5809 3.5809 3.5986 3.5986 3.6131 3.6131 3.7794 3.7794 4.1220 4.1220 4.1571 4.1571 4.2845 4.2845 4.3825 4.3825 4.5306 4.5306 5.3154 5.3154 5.3539 5.3539 5.4481 5.4481 5.4564 5.4564 5.6488 5.6488 5.8043 5.8043 5.9088 5.9088 6.3269 6.3269 6.6723 6.6723 6.6752 6.6752 6.6806 6.6806 6.7479 6.7479 6.7804 6.7804 7.7034 7.7034 7.7112 7.7112 7.8324 7.8324 7.8355 7.8355 14.5590 14.5590 14.8037 14.8037 16.8780 16.8780 17.1280 17.1280 17.1609 17.1609 18.9135 18.9135 18.9365 18.9365 19.3771 19.3771 k = 0.5000 0.2887 0.2041 ( 4626 PWs) bands (ev): -10.9033 -10.9033 -10.2630 -10.2630 -9.2977 -9.2977 -8.9469 -8.9469 -8.9444 -8.9444 -8.8600 -8.8600 -8.8590 -8.8590 -8.6664 -8.6664 1.8945 1.8945 2.0017 2.0017 2.1110 2.1110 2.1271 2.1271 2.7585 2.7585 2.8424 2.8424 2.8765 2.8765 3.2651 3.2651 3.5844 3.5844 3.5949 3.5949 3.6132 3.6132 3.7785 3.7785 4.1226 4.1226 4.1601 4.1601 4.2791 4.2791 4.3790 4.3790 4.5354 4.5354 5.3181 5.3181 5.3575 5.3575 5.4427 5.4427 5.4523 5.4523 5.6616 5.6616 5.8155 5.8155 5.8759 5.8759 6.3281 6.3281 6.6726 6.6726 6.6780 6.6780 6.6829 6.6829 6.7441 6.7441 6.7777 6.7777 7.7052 7.7052 7.7130 7.7130 7.8302 7.8302 7.8334 7.8334 14.5753 14.5753 14.7897 14.7897 16.8792 16.8792 17.1306 17.1306 17.1635 17.1635 18.9190 18.9190 18.9420 18.9420 19.4078 19.4078 k = 0.5000 0.2887 0.2041 ( 4626 PWs) bands (ev): -10.9033 -10.9033 -10.2630 -10.2630 -9.2977 -9.2977 -8.9469 -8.9469 -8.9444 -8.9444 -8.8600 -8.8600 -8.8590 -8.8590 -8.6664 -8.6664 1.8945 1.8945 2.0017 2.0017 2.1110 2.1110 2.1271 2.1271 2.7585 2.7585 2.8424 2.8424 2.8765 2.8765 3.2651 3.2651 3.5844 3.5844 3.5949 3.5949 3.6132 3.6132 3.7785 3.7785 4.1226 4.1226 4.1601 4.1601 4.2791 4.2791 4.3790 4.3790 4.5354 4.5354 5.3181 5.3181 5.3575 5.3575 5.4427 5.4427 5.4523 5.4523 5.6616 5.6616 5.8155 5.8155 5.8759 5.8759 6.3281 6.3281 6.6726 6.6726 6.6780 6.6780 6.6829 6.6829 6.7441 6.7441 6.7777 6.7777 7.7052 7.7052 7.7130 7.7130 7.8302 7.8302 7.8334 7.8334 14.5753 14.5753 14.7897 14.7897 16.8792 16.8792 17.1306 17.1306 17.1635 17.1635 18.9190 18.9190 18.9420 18.9420 19.4078 19.4078 k = 0.5050 0.2742 0.2123 ( 4627 PWs) bands (ev): -10.9028 -10.9028 -10.2631 -10.2631 -9.2985 -9.2985 -8.9477 -8.9477 -8.9452 -8.9452 -8.8592 -8.8592 -8.8580 -8.8580 -8.6665 -8.6665 1.8951 1.8951 2.0019 2.0019 2.1121 2.1121 2.1282 2.1282 2.7586 2.7586 2.8436 2.8436 2.8777 2.8777 3.2641 3.2641 3.5813 3.5813 3.5946 3.5946 3.6165 3.6165 3.7790 3.7790 4.1207 4.1207 4.1581 4.1581 4.2812 4.2812 4.3808 4.3808 4.5360 4.5360 5.3116 5.3116 5.3513 5.3513 5.4439 5.4439 5.4532 5.4532 5.6622 5.6622 5.8165 5.8165 5.8816 5.8816 6.3292 6.3292 6.6718 6.6718 6.6776 6.6776 6.6825 6.6825 6.7439 6.7439 6.7774 6.7774 7.7025 7.7025 7.7104 7.7104 7.8300 7.8300 7.8339 7.8339 14.5768 14.5768 14.7921 14.7921 16.8751 16.8751 17.1341 17.1341 17.1671 17.1671 18.9198 18.9198 18.9431 18.9431 19.4115 19.4115 k = 0.5100 0.2598 0.2205 ( 4631 PWs) bands (ev): -10.9012 -10.9012 -10.2634 -10.2634 -9.3009 -9.3009 -8.9506 -8.9506 -8.9469 -8.9469 -8.8572 -8.8572 -8.8549 -8.8549 -8.6667 -8.6667 1.8966 1.8966 2.0026 2.0026 2.1151 2.1151 2.1315 2.1315 2.7593 2.7593 2.8471 2.8471 2.8810 2.8810 3.2610 3.2610 3.5745 3.5745 3.5936 3.5936 3.6243 3.6243 3.7805 3.7805 4.1151 4.1151 4.1524 4.1524 4.2871 4.2871 4.3860 4.3860 4.5379 4.5379 5.2914 5.2914 5.3371 5.3371 5.4463 5.4463 5.4546 5.4546 5.6634 5.6634 5.8196 5.8196 5.8980 5.8980 6.3325 6.3325 6.6683 6.6683 6.6764 6.6764 6.6823 6.6823 6.7433 6.7433 6.7765 6.7765 7.6939 7.6939 7.7033 7.7033 7.8276 7.8276 7.8371 7.8371 14.5814 14.5814 14.7996 14.7996 16.8639 16.8639 17.1421 17.1421 17.1793 17.1793 18.9204 18.9204 18.9483 18.9483 19.4225 19.4225 k = 0.5150 0.2454 0.2286 ( 4629 PWs) bands (ev): -10.8985 -10.8985 -10.2641 -10.2641 -9.3048 -9.3048 -8.9556 -8.9556 -8.9492 -8.9492 -8.8543 -8.8543 -8.8498 -8.8498 -8.6670 -8.6670 1.8991 1.8991 2.0038 2.0038 2.1198 2.1198 2.1373 2.1373 2.7605 2.7605 2.8528 2.8528 2.8867 2.8867 3.2560 3.2560 3.5665 3.5665 3.5921 3.5921 3.6340 3.6340 3.7831 3.7831 4.1067 4.1067 4.1439 4.1439 4.2959 4.2959 4.3939 4.3939 4.5413 4.5413 5.2589 5.2589 5.3202 5.3202 5.4467 5.4467 5.4559 5.4559 5.6643 5.6643 5.8244 5.8244 5.9238 5.9238 6.3381 6.3381 6.6611 6.6611 6.6738 6.6738 6.6840 6.6840 6.7421 6.7421 6.7751 6.7751 7.6788 7.6788 7.6938 7.6938 7.8224 7.8224 7.8425 7.8425 14.5891 14.5891 14.8118 14.8118 16.8477 16.8477 17.1507 17.1507 17.2018 17.2018 18.9182 18.9182 18.9606 18.9606 19.4399 19.4399 k = 0.5200 0.2309 0.2368 ( 4635 PWs) bands (ev): -10.8947 -10.8947 -10.2650 -10.2650 -9.3101 -9.3101 -8.9619 -8.9619 -8.9520 -8.9520 -8.8505 -8.8505 -8.8434 -8.8434 -8.6675 -8.6675 1.9027 1.9027 2.0056 2.0056 2.1258 2.1258 2.1456 2.1456 2.7623 2.7623 2.8603 2.8603 2.8948 2.8948 3.2490 3.2490 3.5582 3.5582 3.5899 3.5899 3.6446 3.6446 3.7867 3.7867 4.0959 4.0959 4.1333 4.1333 4.3065 4.3065 4.4036 4.4036 4.5464 4.5464 5.2179 5.2179 5.3017 5.3017 5.4418 5.4418 5.4583 5.4583 5.6644 5.6644 5.8302 5.8302 5.9570 5.9570 6.3457 6.3457 6.6506 6.6506 6.6699 6.6699 6.6875 6.6875 6.7402 6.7402 6.7736 6.7736 7.6576 7.6576 7.6824 7.6824 7.8144 7.8144 7.8489 7.8489 14.5997 14.5997 14.8287 14.8287 16.8284 16.8284 17.1595 17.1595 17.2328 17.2328 18.9134 18.9134 18.9801 18.9801 19.4627 19.4627 k = 0.5250 0.2165 0.2449 ( 4633 PWs) bands (ev): -10.8898 -10.8898 -10.2662 -10.2662 -9.3167 -9.3167 -8.9692 -8.9692 -8.9553 -8.9553 -8.8459 -8.8459 -8.8361 -8.8361 -8.6681 -8.6681 1.9072 1.9072 2.0082 2.0082 2.1329 2.1329 2.1565 2.1565 2.7650 2.7650 2.8692 2.8692 2.9054 2.9054 3.2401 3.2401 3.5499 3.5499 3.5871 3.5871 3.6561 3.6561 3.7914 3.7914 4.0833 4.0833 4.1215 4.1215 4.3181 4.3181 4.4141 4.4141 4.5537 4.5537 5.1719 5.1719 5.2814 5.2814 5.4327 5.4327 5.4607 5.4607 5.6633 5.6633 5.8362 5.8362 5.9957 5.9957 6.3554 6.3554 6.6369 6.6369 6.6651 6.6651 6.6923 6.6923 6.7376 6.7376 6.7723 6.7723 7.6312 7.6312 7.6697 7.6697 7.8035 7.8035 7.8557 7.8557 14.6133 14.6133 14.8500 14.8500 16.8078 16.8078 17.1690 17.1690 17.2700 17.2700 18.9073 18.9073 19.0060 19.0060 19.4890 19.4890 k = 0.5300 0.2021 0.2531 ( 4633 PWs) bands (ev): -10.8839 -10.8839 -10.2678 -10.2678 -9.3243 -9.3243 -8.9771 -8.9771 -8.9592 -8.9592 -8.8406 -8.8406 -8.8283 -8.8283 -8.6690 -8.6690 1.9126 1.9126 2.0116 2.0116 2.1411 2.1411 2.1698 2.1698 2.7685 2.7685 2.8793 2.8793 2.9184 2.9184 3.2293 3.2293 3.5417 3.5417 3.5838 3.5838 3.6680 3.6680 3.7971 3.7971 4.0692 4.0692 4.1095 4.1095 4.3300 4.3300 4.4243 4.4243 4.5635 4.5635 5.1231 5.1231 5.2596 5.2596 5.4207 5.4207 5.4621 5.4621 5.6610 5.6610 5.8415 5.8415 6.0379 6.0379 6.3671 6.3671 6.6202 6.6202 6.6596 6.6596 6.6983 6.6983 6.7342 6.7342 6.7714 6.7714 7.6002 7.6002 7.6561 7.6561 7.7896 7.7896 7.8625 7.8625 14.6295 14.6295 14.8753 14.8753 16.7866 16.7866 17.1797 17.1797 17.3120 17.3120 18.9006 18.9006 19.0380 19.0380 19.5148 19.5148 k = 0.5350 0.1876 0.2613 ( 4631 PWs) bands (ev): -10.8770 -10.8770 -10.2698 -10.2698 -9.3328 -9.3328 -8.9853 -8.9853 -8.9636 -8.9636 -8.8348 -8.8348 -8.8201 -8.8201 -8.6700 -8.6700 1.9188 1.9188 2.0160 2.0160 2.1504 2.1504 2.1853 2.1853 2.7730 2.7730 2.8906 2.8906 2.9335 2.9335 3.2168 3.2168 3.5339 3.5339 3.5800 3.5800 3.6806 3.6806 3.8038 3.8038 4.0536 4.0536 4.0978 4.0978 4.3418 4.3418 4.4334 4.4334 4.5759 4.5759 5.0731 5.0731 5.2364 5.2364 5.4070 5.4070 5.4620 5.4620 5.6577 5.6577 5.8454 5.8454 6.0822 6.0822 6.3806 6.3806 6.6008 6.6008 6.6536 6.6536 6.7052 6.7052 6.7304 6.7304 6.7710 6.7710 7.5654 7.5654 7.6417 7.6417 7.7726 7.7726 7.8687 7.8687 14.6485 14.6485 14.9044 14.9044 16.7654 16.7654 17.1915 17.1915 17.3576 17.3576 18.8939 18.8939 19.0757 19.0757 19.5293 19.5293 k = 0.5400 0.1732 0.2694 ( 4633 PWs) bands (ev): -10.8690 -10.8690 -10.2724 -10.2724 -9.3419 -9.3419 -8.9938 -8.9938 -8.9684 -8.9684 -8.8287 -8.8287 -8.8116 -8.8116 -8.6713 -8.6713 1.9259 1.9259 2.0213 2.0213 2.1606 2.1606 2.2029 2.2029 2.7785 2.7785 2.9029 2.9029 2.9503 2.9503 3.2027 3.2027 3.5265 3.5265 3.5758 3.5758 3.6935 3.6935 3.8114 3.8114 4.0365 4.0365 4.0870 4.0870 4.3532 4.3532 4.4409 4.4409 4.5906 4.5906 5.0232 5.0232 5.2120 5.2120 5.3922 5.3922 5.4603 5.4603 5.6534 5.6534 5.8471 5.8471 6.1274 6.1274 6.3959 6.3959 6.5789 6.5789 6.6472 6.6472 6.7130 6.7130 6.7268 6.7268 6.7712 6.7712 7.5271 7.5271 7.6268 7.6268 7.7526 7.7526 7.8743 7.8743 14.6698 14.6698 14.9367 14.9367 16.7447 16.7447 17.2045 17.2045 17.4065 17.4065 18.8874 18.8874 19.1188 19.1188 19.5168 19.5168 k = 0.5450 0.1588 0.2776 ( 4639 PWs) bands (ev): -10.8600 -10.8600 -10.2756 -10.2756 -9.3515 -9.3515 -9.0024 -9.0024 -8.9734 -8.9734 -8.8223 -8.8223 -8.8031 -8.8031 -8.6728 -8.6728 1.9337 1.9337 2.0274 2.0274 2.1719 2.1719 2.2222 2.2222 2.7850 2.7850 2.9163 2.9163 2.9684 2.9684 3.1872 3.1872 3.5196 3.5196 3.5713 3.5713 3.7068 3.7068 3.8199 3.8199 4.0184 4.0184 4.0774 4.0774 4.3639 4.3639 4.4467 4.4467 4.6065 4.6065 4.9750 4.9750 5.1867 5.1867 5.3768 5.3768 5.4571 5.4571 5.6482 5.6482 5.8462 5.8462 6.1723 6.1723 6.4126 6.4126 6.5547 6.5547 6.6405 6.6405 6.7199 6.7199 6.7255 6.7255 6.7718 6.7718 7.4860 7.4860 7.6117 7.6117 7.7297 7.7297 7.8791 7.8791 14.6935 14.6935 14.9717 14.9717 16.7246 16.7246 17.2184 17.2184 17.4580 17.4580 18.8813 18.8813 19.1673 19.1673 19.4870 19.4870 k = 0.5500 0.1443 0.2858 ( 4639 PWs) bands (ev): -10.8500 -10.8500 -10.2794 -10.2794 -9.3612 -9.3612 -9.0110 -9.0110 -8.9788 -8.9788 -8.8158 -8.8158 -8.7946 -8.7946 -8.6746 -8.6746 1.9422 1.9422 2.0344 2.0344 2.1842 2.1842 2.2434 2.2434 2.7926 2.7926 2.9308 2.9308 2.9871 2.9871 3.1704 3.1704 3.5136 3.5136 3.5668 3.5668 3.7203 3.7203 3.8291 3.8291 3.9994 3.9994 4.0691 4.0691 4.3738 4.3738 4.4510 4.4510 4.6216 4.6216 4.9306 4.9306 5.1605 5.1605 5.3614 5.3614 5.4524 5.4524 5.6422 5.6422 5.8421 5.8421 6.2159 6.2159 6.4307 6.4307 6.5283 6.5283 6.6337 6.6337 6.7199 6.7199 6.7332 6.7332 6.7730 6.7730 7.4427 7.4427 7.5964 7.5964 7.7043 7.7043 7.8829 7.8829 14.7193 14.7193 15.0088 15.0088 16.7055 16.7055 17.2331 17.2331 17.5119 17.5119 18.8755 18.8755 19.2208 19.2208 19.4522 19.4522 k = 0.5550 0.1299 0.2939 ( 4633 PWs) bands (ev): -10.8391 -10.8391 -10.2839 -10.2839 -9.3710 -9.3710 -9.0195 -9.0195 -8.9843 -8.9843 -8.8095 -8.8095 -8.7860 -8.7860 -8.6766 -8.6766 1.9512 1.9512 2.0421 2.0421 2.1973 2.1973 2.2661 2.2661 2.8011 2.8011 2.9463 2.9463 3.0056 3.0056 3.1529 3.1529 3.5086 3.5086 3.5624 3.5624 3.7338 3.7338 3.8388 3.8388 3.9802 3.9802 4.0621 4.0621 4.3826 4.3826 4.4539 4.4539 4.6325 4.6325 4.8934 4.8934 5.1339 5.1339 5.3463 5.3463 5.4463 5.4463 5.6355 5.6355 5.8347 5.8347 6.2572 6.2572 6.4495 6.4495 6.5003 6.5003 6.6273 6.6273 6.7194 6.7194 6.7436 6.7436 6.7745 6.7745 7.3978 7.3978 7.5811 7.5811 7.6766 7.6766 7.8856 7.8856 14.7469 14.7469 15.0475 15.0475 16.6875 16.6875 17.2482 17.2482 17.5680 17.5680 18.8701 18.8701 19.2790 19.2790 19.4157 19.4157 k = 0.5600 0.1155 0.3021 ( 4639 PWs) bands (ev): -10.8273 -10.8273 -10.2893 -10.2893 -9.3805 -9.3805 -9.0281 -9.0281 -8.9899 -8.9899 -8.8034 -8.8034 -8.7776 -8.7776 -8.6787 -8.6787 1.9607 1.9607 2.0504 2.0504 2.2112 2.2112 2.2904 2.2904 2.8106 2.8106 2.9629 2.9629 3.0225 3.0225 3.1350 3.1350 3.5048 3.5048 3.5585 3.5585 3.7469 3.7469 3.8484 3.8484 3.9616 3.9616 4.0565 4.0565 4.3902 4.3902 4.4556 4.4556 4.6342 4.6342 4.8684 4.8684 5.1070 5.1070 5.3319 5.3319 5.4391 5.4391 5.6280 5.6280 5.8237 5.8237 6.2948 6.2948 6.4629 6.4629 6.4769 6.4769 6.6216 6.6216 6.7204 6.7204 6.7549 6.7549 6.7765 6.7765 7.3522 7.3522 7.5658 7.5658 7.6470 7.6470 7.8873 7.8873 14.7763 14.7763 15.0868 15.0868 16.6708 16.6708 17.2637 17.2637 17.6258 17.6258 18.8646 18.8646 19.3398 19.3398 19.3801 19.3801 k = 0.5650 0.1010 0.3103 ( 4633 PWs) bands (ev): -10.8146 -10.8146 -10.2957 -10.2957 -9.3896 -9.3896 -9.0364 -9.0364 -8.9956 -8.9956 -8.7977 -8.7977 -8.7692 -8.7692 -8.6808 -8.6808 1.9707 1.9707 2.0591 2.0591 2.2257 2.2257 2.3163 2.3163 2.8210 2.8210 2.9805 2.9805 3.0360 3.0360 3.1182 3.1182 3.5024 3.5024 3.5558 3.5558 3.7590 3.7590 3.8569 3.8569 3.9452 3.9452 4.0522 4.0522 4.3964 4.3964 4.4562 4.4562 4.6224 4.6224 4.8600 4.8600 5.0800 5.0800 5.3184 5.3184 5.4308 5.4308 5.6197 5.6197 5.8092 5.8092 6.3275 6.3275 6.4365 6.4365 6.4926 6.4926 6.6175 6.6175 6.7231 6.7231 6.7670 6.7670 6.7790 6.7790 7.3069 7.3069 7.5507 7.5507 7.6158 7.6158 7.8879 7.8879 14.8071 14.8071 15.1262 15.1262 16.6557 16.6557 17.2792 17.2792 17.6854 17.6854 18.8589 18.8589 19.3366 19.3366 19.4121 19.4121 k = 0.5700 0.0866 0.3184 ( 4636 PWs) bands (ev): -10.8010 -10.8010 -10.3030 -10.3030 -9.3980 -9.3980 -9.0447 -9.0447 -9.0013 -9.0013 -8.7926 -8.7926 -8.7610 -8.7610 -8.6830 -8.6830 1.9809 1.9809 2.0680 2.0680 2.2408 2.2408 2.3435 2.3435 2.8322 2.8322 2.9989 2.9989 3.0424 3.0424 3.1053 3.1053 3.5011 3.5011 3.5552 3.5552 3.7688 3.7688 3.8626 3.8626 3.9337 3.9337 4.0493 4.0493 4.4008 4.4008 4.4554 4.4554 4.5983 4.5983 4.8675 4.8675 5.0534 5.0534 5.3061 5.3061 5.4219 5.4219 5.6106 5.6106 5.7914 5.7914 6.3536 6.3536 6.4040 6.4040 6.5136 6.5136 6.6156 6.6156 6.7273 6.7273 6.7792 6.7792 6.7825 6.7825 7.2630 7.2630 7.5357 7.5357 7.5836 7.5836 7.8873 7.8873 14.8391 14.8391 15.1646 15.1646 16.6424 16.6424 17.2944 17.2944 17.7463 17.7463 18.8524 18.8524 19.2979 19.2979 19.4826 19.4826 k = 0.5750 0.0722 0.3266 ( 4636 PWs) bands (ev): -10.7866 -10.7866 -10.3113 -10.3113 -9.4056 -9.4056 -9.0528 -9.0528 -9.0069 -9.0069 -8.7883 -8.7883 -8.7529 -8.7529 -8.6849 -8.6849 1.9914 1.9914 2.0769 2.0769 2.2562 2.2562 2.3720 2.3720 2.8441 2.8441 3.0175 3.0175 3.0385 3.0385 3.0997 3.0997 3.5003 3.5003 3.5580 3.5580 3.7744 3.7744 3.8642 3.8642 3.9303 3.9303 4.0479 4.0479 4.4029 4.4029 4.4523 4.4523 4.5678 4.5678 4.8860 4.8860 5.0277 5.0277 5.2955 5.2955 5.4124 5.4124 5.6007 5.6007 5.7706 5.7706 6.3673 6.3673 6.3752 6.3752 6.5351 6.5351 6.6157 6.6157 6.7328 6.7328 6.7852 6.7852 6.7933 6.7933 7.2220 7.2220 7.5205 7.5205 7.5514 7.5514 7.8856 7.8856 14.8721 14.8721 15.2013 15.2013 16.6315 16.6315 17.3091 17.3091 17.8083 17.8083 18.8444 18.8444 19.2582 19.2582 19.5574 19.5574 k = 0.5800 0.0577 0.3348 ( 4636 PWs) bands (ev): -10.7716 -10.7716 -10.3207 -10.3207 -9.4123 -9.4123 -9.0606 -9.0606 -9.0124 -9.0124 -8.7852 -8.7852 -8.7451 -8.7451 -8.6865 -8.6865 2.0019 2.0019 2.0857 2.0857 2.2719 2.2719 2.4017 2.4017 2.8565 2.8565 3.0208 3.0208 3.0411 3.0411 3.0993 3.0993 3.4991 3.4991 3.5655 3.5655 3.7732 3.7732 3.8639 3.8639 3.9352 3.9352 4.0482 4.0482 4.4014 4.4014 4.4456 4.4456 4.5383 4.5383 4.9095 4.9095 5.0043 5.0043 5.2867 5.2867 5.4026 5.4026 5.5900 5.5900 5.7471 5.7471 6.3350 6.3350 6.3836 6.3836 6.5563 6.5563 6.6163 6.6163 6.7397 6.7397 6.7896 6.7896 6.8069 6.8069 7.1859 7.1859 7.5029 7.5029 7.5218 7.5218 7.8828 7.8828 14.9060 14.9060 15.2353 15.2353 16.6231 16.6231 17.3231 17.3231 17.8713 17.8713 18.8342 18.8342 19.2185 19.2185 19.6028 19.6028 k = 0.5850 0.0433 0.3429 ( 4638 PWs) bands (ev): -10.7559 -10.7559 -10.3313 -10.3313 -9.4178 -9.4178 -9.0683 -9.0683 -9.0178 -9.0178 -8.7833 -8.7833 -8.7374 -8.7374 -8.6874 -8.6874 2.0125 2.0125 2.0942 2.0942 2.2875 2.2875 2.4325 2.4325 2.8689 2.8689 3.0032 3.0032 3.0607 3.0607 3.0991 3.0991 3.4969 3.4969 3.5783 3.5783 3.7638 3.7638 3.8661 3.8661 3.9452 3.9452 4.0502 4.0502 4.3920 4.3920 4.4360 4.4360 4.5159 4.5159 4.9302 4.9302 4.9885 4.9885 5.2803 5.2803 5.3928 5.3928 5.5783 5.5783 5.7216 5.7216 6.3000 6.3000 6.3873 6.3873 6.5765 6.5765 6.6149 6.6149 6.7480 6.7480 6.7950 6.7950 6.8210 6.8210 7.1565 7.1565 7.4772 7.4772 7.5013 7.5013 7.8789 7.8789 14.9403 14.9403 15.2656 15.2656 16.6179 16.6179 17.3359 17.3359 17.9350 17.9350 18.8206 18.8206 19.1799 19.1799 19.5947 19.5947 k = 0.5900 0.0289 0.3511 ( 4642 PWs) bands (ev): -10.7396 -10.7396 -10.3428 -10.3428 -9.4222 -9.4222 -9.0757 -9.0757 -9.0229 -9.0229 -8.7830 -8.7830 -8.7299 -8.7299 -8.6876 -8.6876 2.0229 2.0229 2.1021 2.1021 2.3031 2.3031 2.4640 2.4640 2.8806 2.8806 2.9840 2.9840 3.0805 3.0805 3.0977 3.0977 3.4937 3.4937 3.5957 3.5957 3.7481 3.7481 3.8715 3.8715 3.9577 3.9577 4.0541 4.0541 4.3698 4.3698 4.4288 4.4288 4.5024 4.5024 4.9309 4.9309 4.9953 4.9953 5.2769 5.2769 5.3833 5.3833 5.5658 5.5658 5.6946 5.6946 6.2647 6.2647 6.3857 6.3857 6.5919 6.5919 6.6108 6.6108 6.7577 6.7577 6.8016 6.8016 6.8353 6.8353 7.1358 7.1358 7.4471 7.4471 7.4872 7.4872 7.8740 7.8740 14.9749 14.9749 15.2914 15.2914 16.6161 16.6161 17.3475 17.3475 17.9992 17.9992 18.8024 18.8024 19.1437 19.1437 19.5877 19.5877 k = 0.5950 0.0144 0.3593 ( 4634 PWs) bands (ev): -10.7230 -10.7230 -10.3554 -10.3554 -9.4252 -9.4252 -9.0828 -9.0828 -9.0277 -9.0277 -8.7843 -8.7843 -8.7227 -8.7227 -8.6870 -8.6870 2.0330 2.0330 2.1093 2.1093 2.3182 2.3182 2.4960 2.4960 2.8900 2.8900 2.9666 2.9666 3.0866 3.0866 3.1074 3.1074 3.4898 3.4898 3.6156 3.6156 3.7298 3.7298 3.8788 3.8788 3.9714 3.9714 4.0600 4.0600 4.3378 4.3378 4.4254 4.4254 4.4943 4.4943 4.9151 4.9151 5.0202 5.0202 5.2772 5.2772 5.3744 5.3744 5.5523 5.5523 5.6668 5.6668 6.2295 6.2295 6.3804 6.3804 6.5838 6.5838 6.6195 6.6195 6.7686 6.7686 6.8096 6.8096 6.8499 6.8499 7.1249 7.1249 7.4174 7.4174 7.4754 7.4754 7.8682 7.8682 15.0095 15.0095 15.3119 15.3119 16.6180 16.6180 17.3575 17.3575 18.0636 18.0636 18.7783 18.7783 19.1113 19.1113 19.5822 19.5822 k = 0.6000-0.0000 0.3674 ( 4632 PWs) bands (ev): -10.7062 -10.7062 -10.3687 -10.3687 -9.4269 -9.4269 -9.0897 -9.0897 -9.0322 -9.0322 -8.7873 -8.7873 -8.7157 -8.7157 -8.6855 -8.6855 2.0427 2.0427 2.1157 2.1157 2.3328 2.3328 2.5278 2.5278 2.8933 2.8933 2.9552 2.9552 3.0790 3.0790 3.1283 3.1283 3.4856 3.4856 3.6337 3.6337 3.7137 3.7137 3.8867 3.8867 3.9856 3.9856 4.0681 4.0681 4.3024 4.3024 4.4236 4.4236 4.4884 4.4884 4.8963 4.8963 5.0480 5.0480 5.2822 5.2822 5.3667 5.3667 5.5378 5.5378 5.6391 5.6391 6.1947 6.1947 6.3729 6.3729 6.5582 6.5582 6.6338 6.6338 6.7795 6.7795 6.8193 6.8193 6.8646 6.8646 7.1237 7.1237 7.3901 7.3901 7.4649 7.4649 7.8614 7.8614 15.0438 15.0438 15.3265 15.3265 16.6240 16.6240 17.3657 17.3657 18.1280 18.1280 18.7475 18.7475 19.0835 19.0835 19.5781 19.5781 k = 0.6050-0.0144 0.3756 ( 4636 PWs) bands (ev): -10.6894 -10.6894 -10.3826 -10.3826 -9.4272 -9.4272 -9.0963 -9.0963 -9.0363 -9.0363 -8.7917 -8.7917 -8.7090 -8.7090 -8.6832 -8.6832 2.0519 2.0519 2.1210 2.1210 2.3467 2.3467 2.5584 2.5584 2.8875 2.8875 2.9529 2.9529 3.0691 3.0691 3.1499 3.1499 3.4810 3.4810 3.6403 3.6403 3.7087 3.7087 3.8949 3.8949 3.9996 3.9996 4.0782 4.0782 4.2674 4.2674 4.4225 4.4225 4.4828 4.4828 4.8781 4.8781 5.0737 5.0737 5.2923 5.2923 5.3611 5.3611 5.5223 5.5223 5.6122 5.6122 6.1607 6.1607 6.3644 6.3644 6.5232 6.5232 6.6460 6.6460 6.7892 6.7892 6.8307 6.8307 6.8794 6.8794 7.1312 7.1312 7.3661 7.3661 7.4558 7.4558 7.8538 7.8538 15.0774 15.0774 15.3348 15.3348 16.6339 16.6339 17.3719 17.3719 18.1919 18.1919 18.7099 18.7099 19.0607 19.0607 19.5749 19.5749 k = 0.6100-0.0289 0.3838 ( 4635 PWs) bands (ev): -10.6730 -10.6730 -10.3967 -10.3967 -9.4261 -9.4261 -9.1025 -9.1025 -9.0400 -9.0400 -8.7976 -8.7976 -8.7025 -8.7025 -8.6803 -8.6803 2.0604 2.0604 2.1253 2.1253 2.3595 2.3595 2.5865 2.5865 2.8763 2.8763 2.9554 2.9554 3.0600 3.0600 3.1709 3.1709 3.4762 3.4762 3.6303 3.6303 3.7182 3.7182 3.9040 3.9040 4.0134 4.0134 4.0902 4.0902 4.2350 4.2350 4.4216 4.4216 4.4769 4.4769 4.8617 4.8617 5.0951 5.0951 5.3056 5.3056 5.3605 5.3605 5.5058 5.5058 5.5871 5.5871 6.1276 6.1276 6.3555 6.3555 6.4815 6.4815 6.6550 6.6550 6.7966 6.7966 6.8437 6.8437 6.8942 6.8942 7.1457 7.1457 7.3466 7.3466 7.4481 7.4481 7.8454 7.8454 15.1098 15.1098 15.3369 15.3369 16.6477 16.6477 17.3760 17.3760 18.2549 18.2549 18.6661 18.6661 19.0427 19.0427 19.5723 19.5723 k = 0.6150-0.0433 0.3919 ( 4631 PWs) bands (ev): -10.6577 -10.6577 -10.4104 -10.4104 -9.4236 -9.4236 -9.1085 -9.1085 -9.0433 -9.0433 -8.8047 -8.8047 -8.6963 -8.6963 -8.6770 -8.6770 2.0679 2.0679 2.1285 2.1285 2.3712 2.3712 2.6098 2.6098 2.8658 2.8658 2.9557 2.9557 3.0555 3.0555 3.1903 3.1903 3.4714 3.4714 3.6132 3.6132 3.7310 3.7310 3.9147 3.9147 4.0268 4.0268 4.1038 4.1038 4.2071 4.2071 4.4206 4.4206 4.4705 4.4705 4.8472 4.8472 5.1116 5.1116 5.3156 5.3156 5.3711 5.3711 5.4888 5.4888 5.5650 5.5650 6.0959 6.0959 6.3470 6.3470 6.4349 6.4349 6.6605 6.6605 6.8001 6.8001 6.8588 6.8588 6.9089 6.9089 7.1650 7.1650 7.3326 7.3326 7.4418 7.4418 7.8363 7.8363 15.1402 15.1402 15.3334 15.3334 16.6648 16.6648 17.3777 17.3777 18.3159 18.3159 18.6180 18.6180 19.0284 19.0284 19.5701 19.5701 k = 0.6200-0.0577 0.4001 ( 4634 PWs) bands (ev): -10.6442 -10.6442 -10.4228 -10.4228 -9.4199 -9.4199 -9.1141 -9.1141 -9.0461 -9.0461 -8.8127 -8.8127 -8.6904 -8.6904 -8.6734 -8.6734 2.0744 2.0744 2.1305 2.1305 2.3814 2.3814 2.6256 2.6256 2.8598 2.8598 2.9502 2.9502 3.0583 3.0583 3.2069 3.2069 3.4664 3.4664 3.5959 3.5959 3.7386 3.7386 3.9271 3.9271 4.0405 4.0405 4.1184 4.1184 4.1853 4.1853 4.4193 4.4193 4.4639 4.4639 4.8349 4.8349 5.1238 5.1238 5.3179 5.3179 5.3942 5.3942 5.4737 5.4737 5.5466 5.5466 6.0657 6.0657 6.3389 6.3389 6.3855 6.3855 6.6626 6.6626 6.7990 6.7990 6.8758 6.8758 6.9234 6.9234 7.1873 7.1873 7.3249 7.3249 7.4372 7.4372 7.8266 7.8266 15.1667 15.1667 15.3261 15.3261 16.6848 16.6848 17.3770 17.3770 18.3720 18.3720 18.5692 18.5692 19.0170 19.0170 19.5677 19.5677 k = 0.6250-0.0722 0.4082 ( 4622 PWs) bands (ev): -10.6338 -10.6338 -10.4327 -10.4327 -9.4148 -9.4148 -9.1194 -9.1194 -9.0484 -9.0484 -8.8217 -8.8217 -8.6848 -8.6848 -8.6697 -8.6697 2.0794 2.0794 2.1314 2.1314 2.3901 2.3901 2.6315 2.6315 2.8585 2.8585 2.9415 2.9415 3.0680 3.0680 3.2191 3.2191 3.4618 3.4618 3.5819 3.5819 3.7378 3.7378 3.9398 3.9398 4.0554 4.0554 4.1329 4.1329 4.1714 4.1714 4.4172 4.4172 4.4580 4.4580 4.8247 4.8247 5.1328 5.1328 5.3163 5.3163 5.4137 5.4137 5.4707 5.4707 5.5337 5.5337 6.0376 6.0376 6.3268 6.3268 6.3394 6.3394 6.6617 6.6617 6.7928 6.7928 6.8944 6.8944 6.9378 6.9378 7.2108 7.2108 7.3243 7.3243 7.4343 7.4343 7.8165 7.8165 15.1857 15.1857 15.3188 15.3188 16.7069 16.7069 17.3736 17.3736 18.4108 18.4108 18.5326 18.5326 19.0074 19.0074 19.5650 19.5650 k = 0.6250-0.0722 0.4082 ( 4622 PWs) bands (ev): -10.6338 -10.6338 -10.4327 -10.4327 -9.4148 -9.4148 -9.1194 -9.1194 -9.0484 -9.0484 -8.8217 -8.8217 -8.6848 -8.6848 -8.6697 -8.6697 2.0794 2.0794 2.1314 2.1314 2.3901 2.3901 2.6315 2.6315 2.8585 2.8585 2.9415 2.9415 3.0680 3.0680 3.2191 3.2191 3.4618 3.4618 3.5819 3.5819 3.7378 3.7378 3.9398 3.9398 4.0554 4.0554 4.1329 4.1329 4.1714 4.1714 4.4172 4.4172 4.4580 4.4580 4.8247 4.8247 5.1328 5.1328 5.3163 5.3163 5.4137 5.4137 5.4707 5.4707 5.5337 5.5337 6.0376 6.0376 6.3268 6.3268 6.3394 6.3394 6.6617 6.6617 6.7928 6.7928 6.8944 6.8944 6.9378 6.9378 7.2108 7.2108 7.3243 7.3243 7.4343 7.4343 7.8165 7.8165 15.1857 15.1857 15.3188 15.3188 16.7069 16.7069 17.3736 17.3736 18.4108 18.4108 18.5326 18.5326 19.0074 19.0074 19.5650 19.5650 k = 0.6161-0.0670 0.4228 ( 4641 PWs) bands (ev): -10.6333 -10.6333 -10.4331 -10.4331 -9.4145 -9.4145 -9.1261 -9.1261 -9.0417 -9.0417 -8.8216 -8.8216 -8.6851 -8.6851 -8.6700 -8.6700 2.0796 2.0796 2.1315 2.1315 2.3913 2.3913 2.6313 2.6313 2.8585 2.8585 2.9416 2.9416 3.0684 3.0684 3.2205 3.2205 3.4576 3.4576 3.5811 3.5811 3.7428 3.7428 3.9396 3.9396 4.0544 4.0544 4.1322 4.1322 4.1709 4.1709 4.4162 4.4162 4.4602 4.4602 4.8243 4.8243 5.1321 5.1321 5.3032 5.3032 5.4105 5.4105 5.4733 5.4733 5.5460 5.5460 6.0418 6.0418 6.3263 6.3263 6.3401 6.3401 6.6606 6.6606 6.7908 6.7908 6.8923 6.8923 6.9357 6.9357 7.2129 7.2129 7.3255 7.3255 7.4348 7.4348 7.8142 7.8142 15.1865 15.1865 15.3194 15.3194 16.7087 16.7087 17.3698 17.3698 18.4122 18.4122 18.5356 18.5356 19.0094 19.0094 19.5610 19.5610 k = 0.6071-0.0619 0.4374 ( 4641 PWs) bands (ev): -10.6316 -10.6316 -10.4344 -10.4344 -9.4133 -9.4133 -9.1417 -9.1417 -9.0262 -9.0262 -8.8215 -8.8215 -8.6859 -8.6859 -8.6710 -8.6710 2.0804 2.0804 2.1317 2.1317 2.3948 2.3948 2.6306 2.6306 2.8586 2.8586 2.9419 2.9419 3.0696 3.0696 3.2249 3.2249 3.4458 3.4458 3.5790 3.5790 3.7565 3.7565 3.9392 3.9392 4.0515 4.0515 4.1301 4.1301 4.1696 4.1696 4.4132 4.4132 4.4669 4.4669 4.8231 4.8231 5.1299 5.1299 5.2726 5.2726 5.4017 5.4017 5.4757 5.4757 5.5796 5.5796 6.0539 6.0539 6.3242 6.3242 6.3426 6.3426 6.6575 6.6575 6.7849 6.7849 6.8864 6.8864 6.9296 6.9296 7.2193 7.2193 7.3292 7.3292 7.4367 7.4367 7.8075 7.8075 15.1889 15.1889 15.3213 15.3213 16.7140 16.7140 17.3585 17.3585 18.4163 18.4163 18.5447 18.5447 19.0155 19.0155 19.5493 19.5493 k = 0.5982-0.0567 0.4520 ( 4643 PWs) bands (ev): -10.6288 -10.6288 -10.4365 -10.4365 -9.4114 -9.4114 -9.1608 -9.1608 -9.0073 -9.0073 -8.8212 -8.8212 -8.6873 -8.6873 -8.6728 -8.6728 2.0818 2.0818 2.1320 2.1320 2.4006 2.4006 2.6294 2.6294 2.8587 2.8587 2.9424 2.9424 3.0717 3.0717 3.2321 3.2321 3.4278 3.4278 3.5764 3.5764 3.7768 3.7768 3.9385 3.9385 4.0464 4.0464 4.1272 4.1272 4.1678 4.1678 4.4083 4.4083 4.4773 4.4773 4.8209 4.8209 5.1250 5.1250 5.2369 5.2369 5.3885 5.3885 5.4753 5.4753 5.6254 5.6254 6.0733 6.0733 6.3203 6.3203 6.3471 6.3471 6.6526 6.6526 6.7756 6.7756 6.8767 6.8767 6.9195 6.9195 7.2294 7.2294 7.3351 7.3351 7.4397 7.4397 7.7965 7.7965 15.1927 15.1927 15.3243 15.3243 16.7227 16.7227 17.3403 17.3403 18.4231 18.4231 18.5590 18.5590 19.0254 19.0254 19.5303 19.5303 k = 0.5893-0.0515 0.4666 ( 4641 PWs) bands (ev): -10.6248 -10.6248 -10.4395 -10.4395 -9.4088 -9.4088 -9.1810 -9.1810 -8.9874 -8.9874 -8.8209 -8.8209 -8.6891 -8.6891 -8.6751 -8.6751 2.0836 2.0836 2.1323 2.1323 2.4087 2.4087 2.6276 2.6276 2.8589 2.8589 2.9432 2.9432 3.0747 3.0747 3.2421 3.2421 3.4056 3.4056 3.5733 3.5733 3.8013 3.8013 3.9376 3.9376 4.0390 4.0390 4.1239 4.1239 4.1662 4.1662 4.4015 4.4015 4.4908 4.4908 4.8173 4.8173 5.1153 5.1153 5.2046 5.2046 5.3723 5.3723 5.4727 5.4727 5.6770 5.6770 6.0986 6.0986 6.3145 6.3145 6.3537 6.3537 6.6462 6.6462 6.7635 6.7635 6.8638 6.8638 6.9058 6.9058 7.2426 7.2426 7.3430 7.3430 7.4436 7.4436 7.7812 7.7812 15.1981 15.1981 15.3282 15.3282 16.7347 16.7347 17.3162 17.3162 18.4326 18.4326 18.5777 18.5777 19.0388 19.0388 19.5050 19.5050 k = 0.5804-0.0464 0.4811 ( 4637 PWs) bands (ev): -10.6198 -10.6198 -10.4434 -10.4434 -9.4054 -9.4054 -9.2013 -9.2013 -8.9672 -8.9672 -8.8206 -8.8206 -8.6913 -8.6913 -8.6781 -8.6781 2.0858 2.0858 2.1328 2.1328 2.4189 2.4189 2.6252 2.6252 2.8591 2.8591 2.9442 2.9442 3.0786 3.0786 3.2545 3.2545 3.3807 3.3807 3.5698 3.5698 3.8280 3.8280 3.9368 3.9368 4.0293 4.0293 4.1205 4.1205 4.1653 4.1653 4.3927 4.3927 4.5069 4.5069 4.8119 4.8119 5.0981 5.0981 5.1813 5.1813 5.3543 5.3543 5.4683 5.4683 5.7311 5.7311 6.1285 6.1285 6.3067 6.3067 6.3621 6.3621 6.6388 6.6388 6.7493 6.7493 6.8479 6.8479 6.8886 6.8886 7.2583 7.2583 7.3525 7.3525 7.4483 7.4483 7.7619 7.7619 15.2050 15.2050 15.3326 15.3326 16.7499 16.7499 17.2872 17.2872 18.4447 18.4447 18.5995 18.5995 19.0553 19.0553 19.4743 19.4743 k = 0.5714-0.0412 0.4957 ( 4647 PWs) bands (ev): -10.6137 -10.6137 -10.4483 -10.4483 -9.4013 -9.4013 -9.2214 -9.2214 -8.9474 -8.9474 -8.8204 -8.8204 -8.6939 -8.6939 -8.6816 -8.6816 2.0884 2.0884 2.1333 2.1333 2.4311 2.4311 2.6220 2.6220 2.8592 2.8592 2.9454 2.9454 3.0835 3.0835 3.2693 3.2693 3.3542 3.3542 3.5656 3.5656 3.8553 3.8553 3.9366 3.9366 4.0177 4.0177 4.1173 4.1173 4.1656 4.1656 4.3816 4.3816 4.5247 4.5247 4.8038 4.8038 5.0750 5.0750 5.1673 5.1673 5.3359 5.3359 5.4623 5.4623 5.7860 5.7860 6.1618 6.1618 6.2971 6.2971 6.3720 6.3720 6.6309 6.6309 6.7338 6.7338 6.8298 6.8298 6.8682 6.8682 7.2758 7.2758 7.3633 7.3633 7.4536 7.4536 7.7389 7.7389 15.2131 15.2131 15.3372 15.3372 16.7679 16.7679 17.2544 17.2544 18.4594 18.4594 18.6231 18.6231 19.0743 19.0743 19.4394 19.4394 k = 0.5625-0.0361 0.5103 ( 4641 PWs) bands (ev): -10.6065 -10.6065 -10.4542 -10.4542 -9.3964 -9.3964 -9.2408 -9.2408 -8.9282 -8.9282 -8.8204 -8.8204 -8.6967 -8.6967 -8.6855 -8.6855 2.0913 2.0913 2.1337 2.1337 2.4452 2.4452 2.6179 2.6179 2.8594 2.8594 2.9469 2.9469 3.0892 3.0892 3.2859 3.2859 3.3273 3.3273 3.5604 3.5604 3.8808 3.8808 3.9381 3.9381 4.0050 4.0050 4.1145 4.1145 4.1676 4.1676 4.3681 4.3681 4.5439 4.5439 4.7927 4.7927 5.0513 5.0513 5.1585 5.1585 5.3188 5.3188 5.4548 5.4548 5.8406 5.8406 6.1968 6.1968 6.2861 6.2861 6.3831 6.3831 6.6232 6.6232 6.7177 6.7177 6.8098 6.8098 6.8453 6.8453 7.2946 7.2946 7.3750 7.3750 7.4593 7.4593 7.7126 7.7126 15.2226 15.2226 15.3416 15.3416 16.7885 16.7885 17.2189 17.2189 18.4765 18.4765 18.6470 18.6470 19.0951 19.0951 19.4017 19.4017 k = 0.5536-0.0309 0.5249 ( 4641 PWs) bands (ev): -10.5982 -10.5982 -10.4612 -10.4612 -9.3909 -9.3909 -9.2594 -9.2594 -8.9099 -8.9099 -8.8206 -8.8206 -8.6996 -8.6996 -8.6899 -8.6899 2.0943 2.0943 2.1342 2.1342 2.4608 2.4608 2.6130 2.6130 2.8596 2.8596 2.9485 2.9485 3.0959 3.0959 3.2970 3.2970 3.3076 3.3076 3.5539 3.5539 3.9002 3.9002 3.9443 3.9443 3.9924 3.9924 4.1128 4.1128 4.1712 4.1712 4.3519 4.3519 4.5637 4.5637 4.7784 4.7784 5.0312 5.0312 5.1514 5.1514 5.3041 5.3041 5.4458 5.4458 5.8941 5.8941 6.2299 6.2299 6.2763 6.2763 6.3950 6.3950 6.6162 6.6162 6.7015 6.7015 6.7886 6.7886 6.8202 6.8202 7.3144 7.3144 7.3873 7.3873 7.4652 7.4652 7.6832 7.6832 15.2333 15.2333 15.3452 15.3452 16.8114 16.8114 17.1819 17.1819 18.4960 18.4960 18.6694 18.6694 19.1167 19.1167 19.3626 19.3626 k = 0.5446-0.0258 0.5395 ( 4645 PWs) bands (ev): -10.5889 -10.5889 -10.4692 -10.4692 -9.3847 -9.3847 -9.2770 -9.2770 -8.8927 -8.8927 -8.8212 -8.8212 -8.7024 -8.7024 -8.6944 -8.6944 2.0974 2.0974 2.1346 2.1346 2.4777 2.4777 2.6070 2.6070 2.8599 2.8599 2.9502 2.9502 3.1033 3.1033 3.2727 3.2727 3.3255 3.3255 3.5456 3.5456 3.9099 3.9099 3.9549 3.9549 3.9838 3.9838 4.1128 4.1128 4.1762 4.1762 4.3329 4.3329 4.5837 4.5837 4.7612 4.7612 5.0163 5.0163 5.1442 5.1442 5.2931 5.2931 5.4355 5.4355 5.9457 5.9457 6.2422 6.2422 6.2856 6.2856 6.4069 6.4069 6.6106 6.6106 6.6857 6.6857 6.7671 6.7671 6.7938 6.7938 7.3347 7.3347 7.3998 7.3998 7.4711 7.4711 7.6514 7.6514 15.2451 15.2451 15.3474 15.3474 16.8362 16.8362 17.1444 17.1444 18.5178 18.5178 18.6886 18.6886 19.1383 19.1383 19.3240 19.3240 k = 0.5357-0.0206 0.5541 ( 4651 PWs) bands (ev): -10.5785 -10.5785 -10.4784 -10.4784 -9.3778 -9.3778 -9.2933 -9.2933 -8.8768 -8.8768 -8.8223 -8.8223 -8.7051 -8.7051 -8.6989 -8.6989 2.1004 2.1004 2.1348 2.1348 2.4953 2.4953 2.6000 2.6000 2.8602 2.8602 2.9517 2.9517 3.1115 3.1115 3.2477 3.2477 3.3463 3.3463 3.5355 3.5355 3.9132 3.9132 3.9548 3.9548 3.9905 3.9905 4.1158 4.1158 4.1825 4.1825 4.3109 4.3109 4.6034 4.6034 4.7424 4.7424 5.0065 5.0065 5.1363 5.1363 5.2863 5.2863 5.4241 5.4241 5.9946 5.9946 6.2293 6.2293 6.3174 6.3174 6.4181 6.4181 6.6068 6.6068 6.6708 6.6708 6.7459 6.7459 6.7674 6.7674 7.3552 7.3552 7.4122 7.4122 7.4769 7.4769 7.6179 7.6179 15.2579 15.2579 15.3476 15.3476 16.8625 16.8625 17.1071 17.1071 18.5419 18.5419 18.7023 18.7023 19.1587 19.1587 19.2879 19.2879 k = 0.5268-0.0155 0.5686 ( 4646 PWs) bands (ev): -10.5672 -10.5672 -10.4888 -10.4888 -9.3703 -9.3703 -9.3083 -9.3083 -8.8627 -8.8627 -8.8241 -8.8241 -8.7075 -8.7075 -8.7031 -8.7031 2.1031 2.1031 2.1350 2.1350 2.5131 2.5131 2.5919 2.5919 2.8608 2.8608 2.9528 2.9528 3.1200 3.1200 3.2248 3.2248 3.3676 3.3676 3.5234 3.5234 3.9147 3.9147 3.9459 3.9459 4.0057 4.0057 4.1226 4.1226 4.1895 4.1895 4.2865 4.2865 4.6223 4.6223 4.7230 4.7230 5.0011 5.0011 5.1282 5.1282 5.2837 5.2837 5.4122 5.4122 6.0396 6.0396 6.2107 6.2107 6.3511 6.3511 6.4273 6.4273 6.6052 6.6052 6.6571 6.6571 6.7262 6.7262 6.7425 6.7425 7.3756 7.3756 7.4241 7.4241 7.4821 7.4821 7.5838 7.5838 15.2715 15.2715 15.3452 15.3452 16.8898 16.8898 17.0711 17.0711 18.5683 18.5683 18.7082 18.7082 19.1765 19.1765 19.2569 19.2569 k = 0.5179-0.0103 0.5832 ( 4646 PWs) bands (ev): -10.5548 -10.5548 -10.5004 -10.5004 -9.3621 -9.3621 -9.3219 -9.3219 -8.8506 -8.8506 -8.8267 -8.8267 -8.7094 -8.7094 -8.7065 -8.7065 2.1053 2.1053 2.1350 2.1350 2.5304 2.5304 2.5827 2.5827 2.8618 2.8618 2.9532 2.9532 3.1282 3.1282 3.2056 3.2056 3.3880 3.3880 3.5099 3.5099 3.9162 3.9162 3.9369 3.9369 4.0182 4.0182 4.1336 4.1336 4.1969 4.1969 4.2607 4.2607 4.6402 4.6402 4.7044 4.7044 4.9988 4.9988 5.1208 5.1208 5.2845 5.2845 5.4010 5.4010 6.0797 6.0797 6.1901 6.1901 6.3816 6.3816 6.4329 6.4329 6.6058 6.6058 6.6453 6.6453 6.7093 6.7093 6.7217 6.7217 7.3957 7.3957 7.4347 7.4347 7.4858 7.4858 7.5513 7.5513 15.2860 15.2860 15.3396 15.3396 16.9177 16.9177 17.0370 17.0370 18.5967 18.5967 18.7041 18.7041 19.1901 19.1901 19.2338 19.2338 k = 0.5089-0.0052 0.5978 ( 4648 PWs) bands (ev): -10.5415 -10.5415 -10.5132 -10.5132 -9.3534 -9.3534 -9.3339 -9.3339 -8.8411 -8.8411 -8.8302 -8.8302 -8.7108 -8.7108 -8.7087 -8.7087 2.1069 2.1069 2.1349 2.1349 2.5460 2.5460 2.5726 2.5726 2.8629 2.8629 2.9528 2.9528 3.1346 3.1346 3.1920 3.1920 3.4050 3.4050 3.4973 3.4973 3.9180 3.9180 3.9300 3.9300 4.0258 4.0258 4.1463 4.1463 4.2031 4.2031 4.2374 4.2374 4.6566 4.6566 4.6874 4.6874 4.9982 4.9982 5.1155 5.1155 5.2870 5.2870 5.3920 5.3920 6.1129 6.1129 6.1690 6.1690 6.4055 6.4055 6.4334 6.4334 6.6080 6.6080 6.6364 6.6364 6.6973 6.6973 6.7078 6.7078 7.4151 7.4151 7.4413 7.4413 7.4847 7.4847 7.5272 7.5272 15.3010 15.3010 15.3303 15.3303 16.9451 16.9451 17.0059 17.0059 18.6271 18.6271 18.6884 18.6884 19.1973 19.1973 19.2215 19.2215 k = 0.5000-0.0000 0.6124 ( 4648 PWs) bands (ev): -10.5278 -10.5278 -10.5268 -10.5268 -9.3443 -9.3443 -9.3442 -9.3442 -8.8348 -8.8348 -8.8343 -8.8343 -8.7114 -8.7114 -8.7094 -8.7094 2.1075 2.1075 2.1349 2.1349 2.5560 2.5560 2.5646 2.5646 2.8636 2.8636 2.9524 2.9524 3.1371 3.1371 3.1872 3.1872 3.4126 3.4126 3.4912 3.4912 3.9193 3.9193 3.9271 3.9271 4.0283 4.0283 4.1535 4.1535 4.2044 4.2044 4.2275 4.2275 4.6690 4.6690 4.6747 4.6747 4.9983 4.9983 5.1134 5.1134 5.2885 5.2885 5.3883 5.3883 6.1311 6.1311 6.1551 6.1551 6.4167 6.4167 6.4308 6.4308 6.6097 6.6097 6.6326 6.6326 6.6928 6.6928 6.7030 6.7030 7.4309 7.4309 7.4369 7.4369 7.4806 7.4806 7.5200 7.5200 15.3162 15.3162 15.3171 15.3171 16.9648 16.9648 16.9850 16.9850 18.6551 18.6551 18.6651 18.6651 19.1981 19.1981 19.2192 19.2192 k = 0.5000-0.0000 0.6124 ( 4648 PWs) bands (ev): -10.5278 -10.5278 -10.5268 -10.5268 -9.3443 -9.3443 -9.3442 -9.3442 -8.8348 -8.8348 -8.8343 -8.8343 -8.7114 -8.7114 -8.7094 -8.7094 2.1075 2.1075 2.1349 2.1349 2.5560 2.5560 2.5646 2.5646 2.8636 2.8636 2.9524 2.9524 3.1371 3.1371 3.1872 3.1872 3.4126 3.4126 3.4912 3.4912 3.9193 3.9193 3.9271 3.9271 4.0283 4.0283 4.1535 4.1535 4.2044 4.2044 4.2275 4.2275 4.6690 4.6690 4.6747 4.6747 4.9983 4.9983 5.1134 5.1134 5.2885 5.2885 5.3883 5.3883 6.1311 6.1311 6.1551 6.1551 6.4167 6.4167 6.4308 6.4308 6.6097 6.6097 6.6326 6.6326 6.6928 6.6928 6.7030 6.7030 7.4309 7.4309 7.4369 7.4369 7.4806 7.4806 7.5200 7.5200 15.3162 15.3162 15.3171 15.3171 16.9648 16.9648 16.9850 16.9850 18.6551 18.6551 18.6651 18.6651 19.1981 19.1981 19.2192 19.2192 k = 0.5000 0.0103 0.5978 ( 4648 PWs) bands (ev): -10.5481 -10.5481 -10.5066 -10.5066 -9.3571 -9.3571 -9.3303 -9.3303 -8.8417 -8.8417 -8.8279 -8.8279 -8.7115 -8.7115 -8.7094 -8.7094 2.1062 2.1062 2.1350 2.1350 2.5412 2.5412 2.5760 2.5760 2.8619 2.8619 2.9549 2.9549 3.1314 3.1314 3.1944 3.1944 3.3987 3.3987 3.5047 3.5047 3.9147 3.9147 3.9298 3.9298 4.0255 4.0255 4.1445 4.1445 4.2073 4.2073 4.2357 4.2357 4.6529 4.6529 4.6933 4.6933 4.9969 4.9969 5.1169 5.1169 5.2825 5.2825 5.3946 5.3946 6.1074 6.1074 6.1775 6.1775 6.4081 6.4081 6.4434 6.4434 6.6039 6.6039 6.6391 6.6391 6.6918 6.6918 6.7047 6.7047 7.4033 7.4033 7.4459 7.4459 7.4912 7.4912 7.5274 7.5274 15.2928 15.2928 15.3375 15.3375 16.9342 16.9342 17.0149 17.0149 18.6106 18.6106 18.7059 18.7059 19.1984 19.1984 19.2207 19.2207 k = 0.5000 0.0206 0.5832 ( 4646 PWs) bands (ev): -10.5691 -10.5691 -10.4863 -10.4863 -9.3689 -9.3689 -9.3155 -9.3155 -8.8491 -8.8491 -8.8217 -8.8217 -8.7116 -8.7116 -8.7096 -8.7096 2.1027 2.1027 2.1351 2.1351 2.5207 2.5207 2.5861 2.5861 2.8583 2.8583 2.9608 2.9608 3.1203 3.1203 3.2104 3.2104 3.3703 3.3703 3.5323 3.5323 3.9055 3.9055 3.9329 3.9329 4.0178 4.0178 4.1248 4.1248 4.2154 4.2154 4.2535 4.2535 4.6376 4.6376 4.7161 4.7161 4.9935 4.9935 5.1258 5.1258 5.2691 5.2691 5.4098 5.4098 6.0747 6.0747 6.2063 6.2063 6.3980 6.3980 6.4654 6.4654 6.5938 6.5938 6.6513 6.6513 6.6902 6.6902 6.7088 6.7088 7.3684 7.3684 7.4358 7.4358 7.5176 7.5176 7.5441 7.5441 15.2661 15.2661 15.3547 15.3547 16.8954 16.8954 17.0517 17.0517 18.5582 18.5582 18.7470 18.7470 19.1999 19.1999 19.2245 19.2245 k = 0.5000 0.0309 0.5686 ( 4656 PWs) bands (ev): -10.5900 -10.5900 -10.4665 -10.4665 -9.3794 -9.3794 -9.2999 -9.2999 -8.8567 -8.8567 -8.8162 -8.8162 -8.7121 -8.7121 -8.7096 -8.7096 2.0972 2.0972 2.1348 2.1348 2.4986 2.4986 2.5901 2.5901 2.8564 2.8564 2.9668 2.9668 3.1100 3.1100 3.2295 3.2295 3.3380 3.3380 3.5632 3.5632 3.8925 3.8925 3.9342 3.9342 4.0073 4.0073 4.1018 4.1018 4.2280 4.2280 4.2736 4.2736 4.6258 4.6258 4.7395 4.7395 4.9897 4.9897 5.1358 5.1358 5.2561 5.2561 5.4289 5.4289 6.0421 6.0421 6.2323 6.2323 6.3903 6.3903 6.4923 6.4923 6.5839 6.5839 6.6638 6.6638 6.6895 6.6895 6.7146 6.7146 7.3323 7.3323 7.4201 7.4201 7.5454 7.5454 7.5655 7.5655 15.2372 15.2372 15.3679 15.3679 16.8571 16.8571 17.0868 17.0868 18.5027 18.5027 18.7833 18.7833 19.2038 19.2038 19.2302 19.2302 k = 0.5000 0.0412 0.5541 ( 4646 PWs) bands (ev): -10.6108 -10.6108 -10.4472 -10.4472 -9.3886 -9.3886 -9.2835 -9.2835 -8.8644 -8.8644 -8.8115 -8.8115 -8.7129 -8.7129 -8.7094 -8.7094 2.0904 2.0904 2.1337 2.1337 2.4756 2.4756 2.5868 2.5868 2.8586 2.8586 2.9698 2.9698 3.1033 3.1033 3.2493 3.2493 3.3054 3.3054 3.5944 3.5944 3.8750 3.8750 3.9336 3.9336 3.9966 3.9966 4.0789 4.0789 4.2440 4.2440 4.2935 4.2935 4.6177 4.6177 4.7624 4.7624 4.9868 4.9868 5.1398 5.1398 5.2523 5.2523 5.4491 5.4491 6.0108 6.0108 6.2544 6.2544 6.3850 6.3850 6.5229 6.5229 6.5752 6.5752 6.6740 6.6740 6.6914 6.6914 6.7220 6.7220 7.2961 7.2961 7.4038 7.4038 7.5700 7.5700 7.5908 7.5908 15.2063 15.2063 15.3766 15.3766 16.8202 16.8202 17.1196 17.1196 18.4446 18.4446 18.8140 18.8140 19.2113 19.2113 19.2372 19.2372 k = 0.5000 0.0515 0.5395 ( 4644 PWs) bands (ev): -10.6314 -10.6314 -10.4286 -10.4286 -9.3965 -9.3965 -9.2666 -9.2666 -8.8721 -8.8721 -8.8076 -8.8076 -8.7142 -8.7142 -8.7088 -8.7088 2.0823 2.0823 2.1317 2.1317 2.4522 2.4522 2.5762 2.5762 2.8656 2.8656 2.9684 2.9684 3.1009 3.1009 3.2610 3.2610 3.2816 3.2816 3.6248 3.6248 3.8524 3.8524 3.9313 3.9313 3.9869 3.9869 4.0573 4.0573 4.2630 4.2630 4.3123 4.3123 4.6131 4.6131 4.7838 4.7838 4.9858 4.9858 5.1326 5.1326 5.2634 5.2634 5.4692 5.4692 5.9815 5.9815 6.2725 6.2725 6.3819 6.3819 6.5535 6.5535 6.5701 6.5701 6.6805 6.6805 6.6968 6.6968 6.7315 6.7315 7.2609 7.2609 7.3885 7.3885 7.5916 7.5916 7.6181 7.6181 15.1737 15.1737 15.3805 15.3805 16.7857 16.7857 17.1495 17.1495 18.3841 18.3841 18.8388 18.8388 19.2230 19.2230 19.2457 19.2457 k = 0.5000 0.0619 0.5249 ( 4642 PWs) bands (ev): -10.6518 -10.6518 -10.4108 -10.4108 -9.4028 -9.4028 -9.2493 -9.2493 -8.8799 -8.8799 -8.8046 -8.8046 -8.7161 -8.7161 -8.7077 -8.7077 2.0734 2.0734 2.1286 2.1286 2.4287 2.4287 2.5596 2.5596 2.8764 2.8764 2.9635 2.9635 3.1022 3.1022 3.2353 3.2353 3.2957 3.2957 3.6536 3.6536 3.8255 3.8255 3.9280 3.9280 3.9781 3.9781 4.0379 4.0379 4.2843 4.2843 4.3297 4.3297 4.6116 4.6116 4.8026 4.8026 4.9874 4.9874 5.1172 5.1172 5.2866 5.2866 5.4886 5.4886 5.9547 5.9547 6.2868 6.2868 6.3808 6.3808 6.5588 6.5588 6.5907 6.5907 6.6864 6.6864 6.7036 6.7036 6.7429 6.7429 7.2280 7.2280 7.3750 7.3750 7.6115 7.6115 7.6454 7.6454 15.1398 15.1398 15.3791 15.3791 16.7543 16.7543 17.1760 17.1760 18.3215 18.3215 18.8573 18.8573 19.2381 19.2381 19.2567 19.2567 k = 0.5000 0.0722 0.5103 ( 4642 PWs) bands (ev): -10.6717 -10.6717 -10.3938 -10.3938 -9.4075 -9.4075 -9.2315 -9.2315 -8.8875 -8.8875 -8.8027 -8.8027 -8.7186 -8.7186 -8.7061 -8.7061 2.0636 2.0636 2.1244 2.1244 2.4053 2.4053 2.5382 2.5382 2.8882 2.8882 2.9579 2.9579 3.1053 3.1053 3.2040 3.2040 3.3160 3.3160 3.6798 3.6798 3.7966 3.7966 3.9239 3.9239 3.9697 3.9697 4.0213 4.0213 4.3074 4.3074 4.3457 4.3457 4.6130 4.6130 4.8177 4.8177 4.9918 4.9918 5.1000 5.1000 5.3162 5.3162 5.5070 5.5070 5.9307 5.9307 6.2975 6.2975 6.3816 6.3816 6.5546 6.5546 6.6168 6.6168 6.6952 6.6952 6.7103 6.7103 6.7552 6.7552 7.1993 7.1993 7.3643 7.3643 7.6302 7.6302 7.6716 7.6716 15.1049 15.1049 15.3722 15.3722 16.7267 16.7267 17.1990 17.1990 18.2572 18.2572 18.8701 18.8701 19.2533 19.2533 19.2737 19.2737 k = 0.5000 0.0825 0.4957 ( 4634 PWs) bands (ev): -10.6912 -10.6912 -10.3779 -10.3779 -9.4107 -9.4107 -9.2135 -9.2135 -8.8950 -8.8950 -8.8018 -8.8018 -8.7216 -8.7216 -8.7040 -8.7040 2.0533 2.0533 2.1192 2.1192 2.3822 2.3822 2.5137 2.5137 2.8961 2.8961 2.9570 2.9570 3.1084 3.1084 3.1733 3.1733 3.3365 3.3365 3.7004 3.7004 3.7701 3.7701 3.9188 3.9188 3.9607 3.9607 4.0083 4.0083 4.3312 4.3312 4.3604 4.3604 4.6170 4.6170 4.8276 4.8276 4.9990 4.9990 5.0857 5.0857 5.3482 5.3482 5.5244 5.5244 5.9099 5.9099 6.3050 6.3050 6.3844 6.3844 6.5512 6.5512 6.6344 6.6344 6.7061 6.7061 6.7187 6.7187 6.7672 6.7672 7.1773 7.1773 7.3569 7.3569 7.6481 7.6481 7.6964 7.6964 15.0692 15.0692 15.3597 15.3597 16.7033 16.7033 17.2182 17.2182 18.1914 18.1914 18.8781 18.8781 19.2661 19.2661 19.2987 19.2987 k = 0.5000 0.0928 0.4811 ( 4638 PWs) bands (ev): -10.7101 -10.7101 -10.3630 -10.3630 -9.4122 -9.4122 -9.1953 -9.1953 -8.9022 -8.9022 -8.8017 -8.8017 -8.7253 -8.7253 -8.7014 -8.7014 2.0426 2.0426 2.1129 2.1129 2.3595 2.3595 2.4872 2.4872 2.8949 2.8949 2.9657 2.9657 3.1101 3.1101 3.1437 3.1437 3.3566 3.3566 3.7045 3.7045 3.7577 3.7577 3.9130 3.9130 3.9512 3.9512 3.9995 3.9995 4.3537 4.3537 4.3746 4.3746 4.6239 4.6239 4.8306 4.8306 5.0083 5.0083 5.0781 5.0781 5.3801 5.3801 5.5407 5.5407 5.8926 5.8926 6.3094 6.3094 6.3892 6.3892 6.5488 6.5488 6.6446 6.6446 6.7130 6.7130 6.7304 6.7304 6.7777 6.7777 7.1652 7.1652 7.3535 7.3535 7.6650 7.6650 7.7197 7.7197 15.0331 15.0331 15.3417 15.3417 16.6846 16.6846 17.2335 17.2335 18.1246 18.1246 18.8822 18.8822 19.2781 19.2781 19.3291 19.3291 k = 0.5000 0.1031 0.4666 ( 4632 PWs) bands (ev): -10.7284 -10.7284 -10.3493 -10.3493 -9.4121 -9.4121 -9.1770 -9.1770 -8.9092 -8.9092 -8.8026 -8.8026 -8.7296 -8.7296 -8.6986 -8.6986 2.0315 2.0315 2.1058 2.1058 2.3374 2.3374 2.4595 2.4595 2.8864 2.8864 2.9822 2.9822 3.1092 3.1092 3.1159 3.1159 3.3761 3.3761 3.6866 3.6866 3.7651 3.7651 3.9069 3.9069 3.9415 3.9415 3.9949 3.9949 4.3715 4.3715 4.3906 4.3906 4.6344 4.6344 4.8258 4.8258 5.0192 5.0192 5.0800 5.0800 5.4101 5.4101 5.5560 5.5560 5.8791 5.8791 6.3107 6.3107 6.3961 6.3961 6.5471 6.5471 6.6506 6.6506 6.7167 6.7167 6.7385 6.7385 6.7858 6.7858 7.1661 7.1661 7.3545 7.3545 7.6810 7.6810 7.7412 7.7412 14.9967 14.9967 15.3184 15.3184 16.6706 16.6706 17.2450 17.2450 18.0571 18.0571 18.8836 18.8836 19.2907 19.2907 19.3626 19.3626 k = 0.5000 0.1134 0.4520 ( 4636 PWs) bands (ev): -10.7461 -10.7461 -10.3367 -10.3367 -9.4105 -9.4105 -9.1587 -9.1587 -8.9159 -8.9159 -8.8041 -8.8041 -8.7346 -8.7346 -8.6955 -8.6955 2.0202 2.0202 2.0979 2.0979 2.3159 2.3159 2.4312 2.4312 2.8747 2.8747 3.0020 3.0020 3.0885 3.0885 3.1067 3.1067 3.3948 3.3948 3.6630 3.6630 3.7753 3.7753 3.9013 3.9013 3.9331 3.9331 3.9941 3.9941 4.3829 4.3829 4.4085 4.4085 4.6494 4.6494 4.8133 4.8133 5.0313 5.0313 5.0917 5.0917 5.4366 5.4366 5.5701 5.5701 5.8693 5.8693 6.3090 6.3090 6.4052 6.4052 6.5455 6.5455 6.6548 6.6548 6.7186 6.7186 6.7384 6.7384 6.7909 6.7909 7.1810 7.1810 7.3602 7.3602 7.6961 7.6961 7.7610 7.7610 14.9604 14.9604 15.2903 15.2903 16.6614 16.6614 17.2528 17.2528 17.9891 17.9891 18.8833 18.8833 19.3041 19.3041 19.3979 19.3979 k = 0.5000 0.1237 0.4374 ( 4642 PWs) bands (ev): -10.7631 -10.7631 -10.3254 -10.3254 -9.4072 -9.4072 -9.1405 -9.1405 -8.9221 -8.9221 -8.8063 -8.8063 -8.7403 -8.7403 -8.6923 -8.6923 2.0088 2.0088 2.0894 2.0894 2.2952 2.2952 2.4030 2.4030 2.8620 2.8620 3.0216 3.0216 3.0642 3.0642 3.1009 3.1009 3.4126 3.4126 3.6408 3.6408 3.7805 3.7805 3.8958 3.8958 3.9292 3.9292 3.9961 3.9961 4.3900 4.3900 4.4245 4.4245 4.6701 4.6701 4.7947 4.7947 5.0454 5.0454 5.1113 5.1113 5.4585 5.4585 5.5832 5.5832 5.8633 5.8633 6.3042 6.3042 6.4164 6.4164 6.5430 6.5430 6.6580 6.6580 6.7179 6.7179 6.7319 6.7319 6.7931 6.7931 7.2086 7.2086 7.3706 7.3706 7.7102 7.7102 7.7789 7.7789 14.9243 14.9243 15.2581 15.2581 16.6568 16.6568 17.2569 17.2569 17.9213 17.9213 18.8821 18.8821 19.3182 19.3182 19.4339 19.4339 k = 0.5000 0.1340 0.4228 ( 4632 PWs) bands (ev): -10.7792 -10.7792 -10.3152 -10.3152 -9.4026 -9.4026 -9.1225 -9.1225 -8.9280 -8.9280 -8.8089 -8.8089 -8.7465 -8.7465 -8.6891 -8.6891 1.9975 1.9975 2.0805 2.0805 2.2752 2.2752 2.3751 2.3751 2.8493 2.8493 3.0298 3.0298 3.0508 3.0508 3.0943 3.0943 3.4295 3.4295 3.6218 3.6218 3.7791 3.7791 3.8879 3.8879 3.9330 3.9330 4.0005 4.0005 4.3942 4.3942 4.4368 4.4368 4.6967 4.6967 4.7722 4.7722 5.0616 5.0616 5.1362 5.1362 5.4755 5.4755 5.5954 5.5954 5.8607 5.8607 6.2962 6.2962 6.4300 6.4300 6.5380 6.5380 6.6605 6.6605 6.7107 6.7107 6.7270 6.7270 6.7929 6.7929 7.2456 7.2456 7.3853 7.3853 7.7233 7.7233 7.7950 7.7950 14.8888 14.8888 15.2223 15.2223 16.6565 16.6565 17.2578 17.2578 17.8538 17.8538 18.8806 18.8806 19.3322 19.3322 19.4695 19.4695 k = 0.5000 0.1443 0.4082 ( 4638 PWs) bands (ev): -10.7945 -10.7945 -10.3062 -10.3062 -9.3966 -9.3966 -9.1048 -9.1048 -8.9333 -8.9333 -8.8120 -8.8120 -8.7535 -8.7535 -8.6859 -8.6859 1.9863 1.9863 2.0713 2.0713 2.2562 2.2562 2.3477 2.3477 2.8368 2.8368 3.0123 3.0123 3.0549 3.0549 3.0941 3.0941 3.4454 3.4454 3.6066 3.6066 3.7723 3.7723 3.8777 3.8777 3.9437 3.9437 4.0068 4.0068 4.3958 4.3958 4.4450 4.4450 4.7267 4.7267 4.7500 4.7500 5.0797 5.0797 5.1648 5.1648 5.4873 5.4873 5.6064 5.6064 5.8605 5.8605 6.2846 6.2846 6.4459 6.4459 6.5289 6.5289 6.6613 6.6613 6.7004 6.7004 6.7255 6.7255 6.7908 6.7908 7.2886 7.2886 7.4040 7.4040 7.7355 7.7355 7.8092 7.8092 14.8540 14.8540 15.1839 15.1839 16.6601 16.6601 17.2556 17.2556 17.7871 17.7871 18.8792 18.8792 19.3438 19.3438 19.5032 19.5032 k = 0.5000 0.1546 0.3937 ( 4636 PWs) bands (ev): -10.8090 -10.8090 -10.2983 -10.2983 -9.3895 -9.3895 -9.0875 -9.0875 -8.9381 -8.9381 -8.8154 -8.8154 -8.7610 -8.7610 -8.6829 -8.6829 1.9754 1.9754 2.0622 2.0622 2.2381 2.2381 2.3212 2.3212 2.8251 2.8251 2.9918 2.9918 3.0470 3.0470 3.1072 3.1072 3.4603 3.4603 3.5951 3.5951 3.7620 3.7620 3.8664 3.8664 3.9583 3.9583 4.0148 4.0148 4.3947 4.3947 4.4498 4.4498 4.7176 4.7176 4.7711 4.7711 5.0995 5.0995 5.1955 5.1955 5.4945 5.4945 5.6165 5.6165 5.8618 5.8618 6.2693 6.2693 6.4638 6.4638 6.5143 6.5143 6.6600 6.6600 6.6946 6.6946 6.7244 6.7244 6.7876 6.7876 7.3349 7.3349 7.4260 7.4260 7.7467 7.7467 7.8215 7.8215 14.8203 14.8203 15.1438 15.1438 16.6673 16.6673 17.2508 17.2508 17.7215 17.7215 18.8784 18.8784 19.3452 19.3452 19.4830 19.4830 k = 0.5000 0.1650 0.3791 ( 4646 PWs) bands (ev): -10.8225 -10.8225 -10.2914 -10.2914 -9.3814 -9.3814 -9.0707 -9.0707 -8.9423 -8.9423 -8.8190 -8.8190 -8.7691 -8.7691 -8.6802 -8.6802 1.9648 1.9648 2.0532 2.0532 2.2210 2.2210 2.2957 2.2957 2.8141 2.8141 2.9722 2.9722 3.0314 3.0314 3.1259 3.1259 3.4741 3.4741 3.5871 3.5871 3.7496 3.7496 3.8548 3.8548 3.9747 3.9747 4.0242 4.0242 4.3911 4.3911 4.4520 4.4520 4.6917 4.6917 4.8131 4.8131 5.1205 5.1205 5.2274 5.2274 5.4979 5.4979 5.6256 5.6256 5.8634 5.8634 6.2497 6.2497 6.4826 6.4826 6.4955 6.4955 6.6579 6.6579 6.6943 6.6943 6.7228 6.7228 6.7838 6.7838 7.3823 7.3823 7.4505 7.4505 7.7571 7.7571 7.8318 7.8318 14.7879 14.7879 15.1027 15.1027 16.6775 16.6775 17.2437 17.2437 17.6574 17.6574 18.8785 18.8785 19.3222 19.3222 19.4626 19.4626 k = 0.5000 0.1753 0.3645 ( 4648 PWs) bands (ev): -10.8351 -10.8351 -10.2856 -10.2856 -9.3725 -9.3725 -9.0544 -9.0544 -8.9458 -8.9458 -8.8228 -8.8228 -8.7776 -8.7776 -8.6776 -8.6776 1.9546 1.9546 2.0446 2.0446 2.2051 2.2051 2.2714 2.2714 2.8041 2.8041 2.9538 2.9538 3.0129 3.0129 3.1454 3.1454 3.4869 3.4869 3.5821 3.5821 3.7364 3.7364 3.8435 3.8435 3.9916 3.9916 4.0351 4.0351 4.3852 4.3852 4.4521 4.4521 4.6658 4.6658 4.8592 4.8592 5.1425 5.1425 5.2597 5.2597 5.4982 5.4982 5.6337 5.6337 5.8644 5.8644 6.2254 6.2254 6.4704 6.4704 6.5059 6.5059 6.6573 6.6573 6.6969 6.6969 6.7210 6.7210 6.7800 6.7800 7.4294 7.4294 7.4769 7.4769 7.7666 7.7666 7.8402 7.8402 14.7570 14.7570 15.0615 15.0615 16.6904 16.6904 17.2349 17.2349 17.5950 17.5950 18.8795 18.8795 19.2771 19.2771 19.4704 19.4704 k = 0.5000 0.1856 0.3499 ( 4640 PWs) bands (ev): -10.8467 -10.8467 -10.2806 -10.2806 -9.3631 -9.3631 -9.0388 -9.0388 -8.9487 -8.9487 -8.8268 -8.8268 -8.7866 -8.7866 -8.6754 -8.6754 1.9451 1.9451 2.0365 2.0365 2.1902 2.1902 2.2483 2.2483 2.7950 2.7950 2.9367 2.9367 2.9934 2.9934 3.1644 3.1644 3.4987 3.4987 3.5797 3.5797 3.7228 3.7228 3.8328 3.8328 4.0084 4.0084 4.0473 4.0473 4.3773 4.3773 4.4506 4.4506 4.6411 4.6411 4.9079 4.9079 5.1652 5.1652 5.2915 5.2915 5.4963 5.4963 5.6410 5.6410 5.8640 5.8640 6.1962 6.1962 6.4467 6.4467 6.5280 6.5280 6.6583 6.6583 6.6997 6.6997 6.7196 6.7196 6.7767 6.7767 7.4750 7.4750 7.5045 7.5045 7.7755 7.7755 7.8466 7.8466 14.7278 14.7278 15.0211 15.0211 16.7057 16.7057 17.2248 17.2248 17.5348 17.5348 18.8816 18.8816 19.2252 19.2252 19.4915 19.4915 k = 0.5000 0.1959 0.3353 ( 4642 PWs) bands (ev): -10.8573 -10.8573 -10.2765 -10.2765 -9.3535 -9.3535 -9.0239 -9.0239 -8.9508 -8.9508 -8.8309 -8.8309 -8.7960 -8.7960 -8.6734 -8.6734 1.9361 1.9361 2.0292 2.0292 2.1766 2.1766 2.2267 2.2267 2.7870 2.7870 2.9210 2.9210 2.9737 2.9737 3.1823 3.1823 3.5097 3.5097 3.5793 3.5793 3.7092 3.7092 3.8227 3.8227 4.0244 4.0244 4.0608 4.0608 4.3677 4.3677 4.4473 4.4473 4.6181 4.6181 4.9584 4.9584 5.1883 5.1883 5.3221 5.3221 5.4928 5.4928 5.6473 5.6473 5.8620 5.8620 6.1623 6.1623 6.4240 6.4240 6.5507 6.5507 6.6605 6.6605 6.7005 6.7005 6.7204 6.7204 6.7742 6.7742 7.5178 7.5178 7.5328 7.5328 7.7836 7.7836 7.8510 7.8510 14.7005 14.7005 14.9821 14.9821 16.7230 16.7230 17.2138 17.2138 17.4770 17.4770 18.8848 18.8848 19.1739 19.1739 19.5189 19.5189 k = 0.5000 0.2062 0.3208 ( 4642 PWs) bands (ev): -10.8668 -10.8668 -10.2731 -10.2731 -9.3439 -9.3439 -9.0099 -9.0099 -8.9522 -8.9522 -8.8350 -8.8350 -8.8055 -8.8055 -8.6717 -8.6717 1.9278 1.9278 2.0226 2.0226 2.1642 2.1642 2.2067 2.2067 2.7800 2.7800 2.9065 2.9065 2.9547 2.9547 3.1988 3.1988 3.5199 3.5199 3.5803 3.5803 3.6958 3.6958 3.8136 3.8136 4.0398 4.0398 4.0750 4.0750 4.3568 4.3568 4.4421 4.4421 4.5977 4.5977 5.0102 5.0102 5.2116 5.2116 5.3509 5.3509 5.4882 5.4882 5.6527 5.6527 5.8582 5.8582 6.1244 6.1244 6.4035 6.4035 6.5731 6.5731 6.6634 6.6634 6.6985 6.6985 6.7238 6.7238 6.7725 6.7725 7.5563 7.5563 7.5622 7.5622 7.7913 7.7913 7.8536 7.8536 14.6755 14.6755 14.9452 14.9452 16.7419 16.7419 17.2024 17.2024 17.4219 17.4219 18.8892 18.8892 19.1257 19.1257 19.5500 19.5500 k = 0.5000 0.2165 0.3062 ( 4632 PWs) bands (ev): -10.8753 -10.8753 -10.2704 -10.2704 -9.3345 -9.3345 -8.9968 -8.9968 -8.9527 -8.9527 -8.8392 -8.8392 -8.8150 -8.8150 -8.6703 -8.6703 1.9203 1.9203 2.0170 2.0170 2.1530 2.1530 2.1885 2.1885 2.7741 2.7741 2.8934 2.8934 2.9369 2.9369 3.2138 3.2138 3.5296 3.5296 3.5823 3.5823 3.6827 3.6827 3.8054 3.8054 4.0546 4.0546 4.0897 4.0897 4.3450 4.3450 4.4350 4.4350 4.5802 4.5802 5.0624 5.0624 5.2348 5.2348 5.3773 5.3773 5.4827 5.4827 5.6572 5.6572 5.8528 5.8528 6.0837 6.0837 6.3856 6.3856 6.5946 6.5946 6.6665 6.6665 6.6950 6.6950 6.7284 6.7284 6.7716 6.7716 7.5866 7.5866 7.5952 7.5952 7.7985 7.7985 7.8543 7.8543 14.6529 14.6529 14.9112 14.9112 16.7621 16.7621 17.1910 17.1910 17.3698 17.3698 18.8945 18.8945 19.0819 19.0819 19.5534 19.5534 k = 0.5000 0.2268 0.2916 ( 4636 PWs) bands (ev): -10.8827 -10.8827 -10.2681 -10.2681 -9.3257 -9.3257 -8.9848 -8.9848 -8.9526 -8.9526 -8.8433 -8.8433 -8.8244 -8.8244 -8.6692 -8.6692 1.9137 1.9137 2.0124 2.0124 2.1430 2.1430 2.1723 2.1723 2.7692 2.7692 2.8814 2.8814 2.9210 2.9210 3.2271 3.2271 3.5389 3.5389 3.5848 3.5848 3.6699 3.6699 3.7983 3.7983 4.0688 4.0688 4.1043 4.1043 4.3326 4.3326 4.4260 4.4260 4.5661 4.5661 5.1142 5.1142 5.2574 5.2574 5.4005 5.4005 5.4767 5.4767 5.6607 5.6607 5.8462 5.8462 6.0416 6.0416 6.3703 6.3703 6.6145 6.6145 6.6694 6.6694 6.6912 6.6912 6.7330 6.7330 6.7716 6.7716 7.6132 7.6132 7.6262 7.6262 7.8053 7.8053 7.8532 7.8532 14.6329 14.6329 14.8805 14.8805 16.7832 16.7832 17.1800 17.1800 17.3213 17.3213 18.9005 18.9005 19.0432 19.0432 19.5246 19.5246 k = 0.5000 0.2371 0.2770 ( 4632 PWs) bands (ev): -10.8890 -10.8890 -10.2664 -10.2664 -9.3177 -9.3177 -8.9739 -8.9739 -8.9518 -8.9518 -8.8473 -8.8473 -8.8334 -8.8334 -8.6682 -8.6682 1.9080 1.9080 2.0087 2.0087 2.1342 2.1342 2.1583 2.1583 2.7654 2.7654 2.8707 2.8707 2.9073 2.9073 3.2385 3.2385 3.5480 3.5480 3.5874 3.5874 3.6577 3.6577 3.7922 3.7922 4.0822 4.0822 4.1184 4.1184 4.3202 4.3202 4.4157 4.4157 4.5552 4.5552 5.1648 5.1648 5.2791 5.2791 5.4199 5.4199 5.4705 5.4705 5.6631 5.6631 5.8390 5.8390 6.0000 6.0000 6.3574 6.3574 6.6323 6.6323 6.6721 6.6721 6.6876 6.6876 6.7369 6.7369 6.7722 6.7722 7.6378 7.6378 7.6526 7.6526 7.8119 7.8119 7.8505 7.8505 14.6156 14.6156 14.8537 14.8537 16.8047 16.8047 17.1697 17.1697 17.2768 17.2768 18.9068 18.9068 19.0099 19.0099 19.4944 19.4944 k = 0.5000 0.2474 0.2624 ( 4636 PWs) bands (ev): -10.8941 -10.8941 -10.2651 -10.2651 -9.3108 -9.3108 -8.9645 -8.9645 -8.9504 -8.9504 -8.8510 -8.8510 -8.8417 -8.8417 -8.6675 -8.6675 1.9032 1.9032 2.0059 2.0059 2.1267 2.1267 2.1468 2.1468 2.7626 2.7626 2.8613 2.8613 2.8960 2.8960 3.2480 3.2480 3.5569 3.5569 3.5899 3.5899 3.6459 3.6459 3.7872 3.7872 4.0947 4.0947 4.1314 4.1314 4.3080 4.3080 4.4049 4.4049 4.5473 4.5473 5.2125 5.2125 5.2997 5.2997 5.4346 5.4346 5.4642 5.4642 5.6644 5.6644 5.8317 5.8317 5.9608 5.9608 6.3469 6.3469 6.6475 6.6475 6.6743 6.6743 6.6846 6.6846 6.7399 6.7399 6.7735 6.7735 7.6600 7.6600 7.6740 7.6740 7.8180 7.8180 7.8465 7.8465 14.6013 14.6013 14.8311 14.8311 16.8260 16.8260 17.1603 17.1603 17.2374 17.2374 18.9129 18.9129 18.9827 18.9827 19.4661 19.4661 k = 0.5000 0.2577 0.2479 ( 4626 PWs) bands (ev): -10.8982 -10.8982 -10.2641 -10.2641 -9.3052 -9.3052 -8.9567 -8.9567 -8.9487 -8.9487 -8.8544 -8.8544 -8.8489 -8.8489 -8.6670 -8.6670 1.8994 1.8994 2.0039 2.0039 2.1203 2.1203 2.1379 2.1379 2.7606 2.7606 2.8534 2.8534 2.8874 2.8874 3.2554 3.2554 3.5657 3.5657 3.5920 3.5920 3.6349 3.6349 3.7834 3.7834 4.1058 4.1058 4.1429 4.1429 4.2969 4.2969 4.3948 4.3948 4.5417 4.5417 5.2554 5.2554 5.3187 5.3187 5.4437 5.4437 5.4586 5.4586 5.6644 5.6644 5.8251 5.8251 5.9264 5.9264 6.3387 6.3387 6.6595 6.6595 6.6760 6.6760 6.6826 6.6826 6.7420 6.7420 6.7750 6.7750 7.6789 7.6789 7.6905 7.6905 7.8234 7.8234 7.8418 7.8418 14.5900 14.5900 14.8132 14.8132 16.8460 16.8460 17.1514 17.1514 17.2044 17.2044 18.9179 18.9179 18.9621 18.9621 19.4419 19.4419 k = 0.5000 0.2681 0.2333 ( 4630 PWs) bands (ev): -10.9010 -10.9010 -10.2635 -10.2635 -9.3011 -9.3011 -8.9510 -8.9510 -8.9469 -8.9469 -8.8571 -8.8571 -8.8545 -8.8545 -8.6667 -8.6667 1.8967 1.8967 2.0026 2.0026 2.1153 2.1153 2.1318 2.1318 2.7593 2.7593 2.8474 2.8474 2.8813 2.8813 3.2608 3.2608 3.5740 3.5740 3.5936 3.5936 3.6249 3.6249 3.7807 3.7807 4.1147 4.1147 4.1520 4.1520 4.2876 4.2876 4.3864 4.3864 4.5381 4.5381 5.2898 5.2898 5.3362 5.3362 5.4460 5.4460 5.4551 5.4551 5.6634 5.6634 5.8199 5.8199 5.8993 5.8993 6.3328 6.3328 6.6677 6.6677 6.6769 6.6769 6.6820 6.6820 6.7432 6.7432 6.7764 6.7764 7.6934 7.6934 7.7025 7.7025 7.8277 7.8277 7.8371 7.8371 14.5818 14.5818 14.8002 14.8002 16.8630 16.8630 17.1426 17.1426 17.1804 17.1804 18.9204 18.9204 18.9489 18.9489 19.4234 19.4234 k = 0.5000 0.2784 0.2187 ( 4628 PWs) bands (ev): -10.9028 -10.9028 -10.2631 -10.2631 -9.2985 -9.2985 -8.9478 -8.9478 -8.9452 -8.9452 -8.8591 -8.8591 -8.8580 -8.8580 -8.6665 -8.6665 1.8951 1.8951 2.0019 2.0019 2.1121 2.1121 2.1283 2.1283 2.7587 2.7587 2.8437 2.8437 2.8777 2.8777 3.2640 3.2640 3.5811 3.5811 3.5946 3.5946 3.6167 3.6167 3.7790 3.7790 4.1205 4.1205 4.1580 4.1580 4.2814 4.2814 4.3809 4.3809 4.5361 4.5361 5.3112 5.3112 5.3510 5.3510 5.4440 5.4440 5.4533 5.4533 5.6622 5.6622 5.8166 5.8166 5.8819 5.8819 6.3293 6.3293 6.6717 6.6717 6.6776 6.6776 6.6825 6.6825 6.7439 6.7439 6.7774 6.7774 7.7023 7.7023 7.7102 7.7102 7.8300 7.8300 7.8340 7.8340 14.5769 14.5769 14.7923 14.7923 16.8749 16.8749 17.1343 17.1343 17.1673 17.1673 18.9199 18.9199 18.9432 18.9432 19.4118 19.4118 k = 0.5000 0.2887 0.2041 ( 4626 PWs) bands (ev): -10.9033 -10.9033 -10.2630 -10.2630 -9.2977 -9.2977 -8.9469 -8.9469 -8.9444 -8.9444 -8.8600 -8.8600 -8.8590 -8.8590 -8.6664 -8.6664 1.8945 1.8945 2.0017 2.0017 2.1110 2.1110 2.1271 2.1271 2.7585 2.7585 2.8424 2.8424 2.8765 2.8765 3.2651 3.2651 3.5844 3.5844 3.5949 3.5949 3.6132 3.6132 3.7785 3.7785 4.1226 4.1226 4.1601 4.1601 4.2791 4.2791 4.3790 4.3790 4.5354 4.5354 5.3181 5.3181 5.3575 5.3575 5.4427 5.4427 5.4523 5.4523 5.6616 5.6616 5.8155 5.8155 5.8759 5.8759 6.3281 6.3281 6.6726 6.6726 6.6780 6.6780 6.6829 6.6829 6.7441 6.7441 6.7777 6.7777 7.7052 7.7052 7.7130 7.7130 7.8302 7.8302 7.8334 7.8334 14.5753 14.5753 14.7897 14.7897 16.8792 16.8792 17.1306 17.1306 17.1635 17.1635 18.9190 18.9190 18.9420 18.9420 19.4078 19.4078 k = 0.5000 0.2887 0.2041 ( 4626 PWs) bands (ev): -10.9033 -10.9033 -10.2630 -10.2630 -9.2977 -9.2977 -8.9469 -8.9469 -8.9444 -8.9444 -8.8600 -8.8600 -8.8590 -8.8590 -8.6664 -8.6664 1.8945 1.8945 2.0017 2.0017 2.1110 2.1110 2.1271 2.1271 2.7585 2.7585 2.8424 2.8424 2.8765 2.8765 3.2651 3.2651 3.5844 3.5844 3.5949 3.5949 3.6132 3.6132 3.7785 3.7785 4.1226 4.1226 4.1601 4.1601 4.2791 4.2791 4.3790 4.3790 4.5354 4.5354 5.3181 5.3181 5.3575 5.3575 5.4427 5.4427 5.4523 5.4523 5.6616 5.6616 5.8155 5.8155 5.8759 5.8759 6.3281 6.3281 6.6726 6.6726 6.6780 6.6780 6.6829 6.6829 6.7441 6.7441 6.7777 6.7777 7.7052 7.7052 7.7130 7.7130 7.8302 7.8302 7.8334 7.8334 14.5753 14.5753 14.7897 14.7897 16.8792 16.8792 17.1306 17.1306 17.1635 17.1635 18.9190 18.9190 18.9420 18.9420 19.4078 19.4078 k = 0.4950 0.2858 0.2205 ( 4627 PWs) bands (ev): -10.9028 -10.9028 -10.2631 -10.2631 -9.2985 -9.2985 -8.9477 -8.9477 -8.9452 -8.9452 -8.8592 -8.8592 -8.8580 -8.8580 -8.6665 -8.6665 1.8951 1.8951 2.0019 2.0019 2.1121 2.1121 2.1282 2.1282 2.7586 2.7586 2.8436 2.8436 2.8777 2.8777 3.2641 3.2641 3.5813 3.5813 3.5946 3.5946 3.6165 3.6165 3.7790 3.7790 4.1207 4.1207 4.1581 4.1581 4.2812 4.2812 4.3808 4.3808 4.5360 4.5360 5.3116 5.3116 5.3513 5.3513 5.4439 5.4439 5.4532 5.4532 5.6622 5.6622 5.8165 5.8165 5.8816 5.8816 6.3292 6.3292 6.6718 6.6718 6.6776 6.6776 6.6825 6.6825 6.7439 6.7439 6.7774 6.7774 7.7025 7.7025 7.7104 7.7104 7.8300 7.8300 7.8339 7.8339 14.5768 14.5768 14.7921 14.7921 16.8751 16.8751 17.1341 17.1341 17.1671 17.1671 18.9198 18.9198 18.9431 18.9431 19.4115 19.4115 k = 0.4900 0.2829 0.2368 ( 4631 PWs) bands (ev): -10.9012 -10.9012 -10.2634 -10.2634 -9.3009 -9.3009 -8.9506 -8.9506 -8.9469 -8.9469 -8.8572 -8.8572 -8.8549 -8.8549 -8.6667 -8.6667 1.8966 1.8966 2.0026 2.0026 2.1151 2.1151 2.1315 2.1315 2.7593 2.7593 2.8471 2.8471 2.8810 2.8810 3.2610 3.2610 3.5745 3.5745 3.5936 3.5936 3.6243 3.6243 3.7805 3.7805 4.1151 4.1151 4.1524 4.1524 4.2871 4.2871 4.3860 4.3860 4.5379 4.5379 5.2914 5.2914 5.3371 5.3371 5.4463 5.4463 5.4546 5.4546 5.6634 5.6634 5.8196 5.8196 5.8980 5.8980 6.3325 6.3325 6.6683 6.6683 6.6764 6.6764 6.6823 6.6823 6.7433 6.7433 6.7765 6.7765 7.6939 7.6939 7.7033 7.7033 7.8276 7.8276 7.8371 7.8371 14.5814 14.5814 14.7996 14.7996 16.8639 16.8639 17.1421 17.1421 17.1793 17.1793 18.9204 18.9204 18.9483 18.9483 19.4225 19.4225 k = 0.4850 0.2800 0.2531 ( 4629 PWs) bands (ev): -10.8985 -10.8985 -10.2641 -10.2641 -9.3048 -9.3048 -8.9556 -8.9556 -8.9492 -8.9492 -8.8543 -8.8543 -8.8498 -8.8498 -8.6670 -8.6670 1.8991 1.8991 2.0038 2.0038 2.1198 2.1198 2.1373 2.1373 2.7605 2.7605 2.8528 2.8528 2.8867 2.8867 3.2560 3.2560 3.5665 3.5665 3.5921 3.5921 3.6340 3.6340 3.7831 3.7831 4.1067 4.1067 4.1439 4.1439 4.2959 4.2959 4.3939 4.3939 4.5413 4.5413 5.2589 5.2589 5.3202 5.3202 5.4467 5.4467 5.4559 5.4559 5.6643 5.6643 5.8244 5.8244 5.9238 5.9238 6.3381 6.3381 6.6611 6.6611 6.6738 6.6738 6.6840 6.6840 6.7421 6.7421 6.7751 6.7751 7.6788 7.6788 7.6938 7.6938 7.8224 7.8224 7.8425 7.8425 14.5891 14.5891 14.8118 14.8118 16.8477 16.8477 17.1507 17.1507 17.2018 17.2018 18.9182 18.9182 18.9606 18.9606 19.4399 19.4399 k = 0.4800 0.2771 0.2694 ( 4635 PWs) bands (ev): -10.8947 -10.8947 -10.2650 -10.2650 -9.3101 -9.3101 -8.9619 -8.9619 -8.9520 -8.9520 -8.8505 -8.8505 -8.8434 -8.8434 -8.6675 -8.6675 1.9027 1.9027 2.0056 2.0056 2.1258 2.1258 2.1456 2.1456 2.7623 2.7623 2.8603 2.8603 2.8948 2.8948 3.2490 3.2490 3.5582 3.5582 3.5899 3.5899 3.6446 3.6446 3.7867 3.7867 4.0959 4.0959 4.1333 4.1333 4.3065 4.3065 4.4036 4.4036 4.5464 4.5464 5.2179 5.2179 5.3017 5.3017 5.4418 5.4418 5.4583 5.4583 5.6644 5.6644 5.8302 5.8302 5.9570 5.9570 6.3457 6.3457 6.6506 6.6506 6.6699 6.6699 6.6875 6.6875 6.7402 6.7402 6.7736 6.7736 7.6576 7.6576 7.6824 7.6824 7.8144 7.8144 7.8489 7.8489 14.5997 14.5997 14.8287 14.8287 16.8284 16.8284 17.1595 17.1595 17.2328 17.2328 18.9134 18.9134 18.9801 18.9801 19.4627 19.4627 k = 0.4750 0.2742 0.2858 ( 4633 PWs) bands (ev): -10.8898 -10.8898 -10.2662 -10.2662 -9.3167 -9.3167 -8.9692 -8.9692 -8.9553 -8.9553 -8.8459 -8.8459 -8.8361 -8.8361 -8.6681 -8.6681 1.9072 1.9072 2.0082 2.0082 2.1329 2.1329 2.1565 2.1565 2.7650 2.7650 2.8692 2.8692 2.9054 2.9054 3.2401 3.2401 3.5499 3.5499 3.5871 3.5871 3.6561 3.6561 3.7914 3.7914 4.0833 4.0833 4.1215 4.1215 4.3181 4.3181 4.4141 4.4141 4.5537 4.5537 5.1719 5.1719 5.2814 5.2814 5.4327 5.4327 5.4607 5.4607 5.6633 5.6633 5.8362 5.8362 5.9957 5.9957 6.3554 6.3554 6.6369 6.6369 6.6651 6.6651 6.6923 6.6923 6.7376 6.7376 6.7723 6.7723 7.6312 7.6312 7.6697 7.6697 7.8035 7.8035 7.8557 7.8557 14.6133 14.6133 14.8500 14.8500 16.8078 16.8078 17.1690 17.1690 17.2700 17.2700 18.9073 18.9073 19.0060 19.0060 19.4890 19.4890 k = 0.4700 0.2714 0.3021 ( 4633 PWs) bands (ev): -10.8839 -10.8839 -10.2678 -10.2678 -9.3243 -9.3243 -8.9771 -8.9771 -8.9592 -8.9592 -8.8406 -8.8406 -8.8283 -8.8283 -8.6690 -8.6690 1.9126 1.9126 2.0116 2.0116 2.1411 2.1411 2.1698 2.1698 2.7685 2.7685 2.8793 2.8793 2.9184 2.9184 3.2293 3.2293 3.5417 3.5417 3.5838 3.5838 3.6680 3.6680 3.7971 3.7971 4.0691 4.0691 4.1095 4.1095 4.3300 4.3300 4.4243 4.4243 4.5635 4.5635 5.1231 5.1231 5.2596 5.2596 5.4207 5.4207 5.4621 5.4621 5.6610 5.6610 5.8415 5.8415 6.0379 6.0379 6.3671 6.3671 6.6202 6.6202 6.6596 6.6596 6.6983 6.6983 6.7342 6.7342 6.7714 6.7714 7.6002 7.6002 7.6561 7.6561 7.7896 7.7896 7.8625 7.8625 14.6295 14.6295 14.8753 14.8753 16.7866 16.7866 17.1797 17.1797 17.3120 17.3120 18.9006 18.9006 19.0380 19.0380 19.5148 19.5148 k = 0.4650 0.2685 0.3184 ( 4631 PWs) bands (ev): -10.8770 -10.8770 -10.2698 -10.2698 -9.3328 -9.3328 -8.9853 -8.9853 -8.9636 -8.9636 -8.8348 -8.8348 -8.8201 -8.8201 -8.6700 -8.6700 1.9188 1.9188 2.0160 2.0160 2.1504 2.1504 2.1853 2.1853 2.7730 2.7730 2.8906 2.8906 2.9335 2.9335 3.2168 3.2168 3.5339 3.5339 3.5800 3.5800 3.6806 3.6806 3.8038 3.8038 4.0536 4.0536 4.0978 4.0978 4.3418 4.3418 4.4334 4.4334 4.5759 4.5759 5.0731 5.0731 5.2364 5.2364 5.4070 5.4070 5.4620 5.4620 5.6577 5.6577 5.8454 5.8454 6.0822 6.0822 6.3806 6.3806 6.6008 6.6008 6.6536 6.6536 6.7052 6.7052 6.7304 6.7304 6.7710 6.7710 7.5654 7.5654 7.6417 7.6417 7.7726 7.7726 7.8687 7.8687 14.6485 14.6485 14.9044 14.9044 16.7654 16.7654 17.1915 17.1915 17.3576 17.3576 18.8939 18.8939 19.0757 19.0757 19.5293 19.5293 k = 0.4600 0.2656 0.3348 ( 4633 PWs) bands (ev): -10.8690 -10.8690 -10.2724 -10.2724 -9.3419 -9.3419 -8.9938 -8.9938 -8.9684 -8.9684 -8.8287 -8.8287 -8.8117 -8.8117 -8.6713 -8.6713 1.9259 1.9259 2.0213 2.0213 2.1606 2.1606 2.2029 2.2029 2.7785 2.7785 2.9029 2.9029 2.9503 2.9503 3.2027 3.2027 3.5265 3.5265 3.5758 3.5758 3.6935 3.6935 3.8114 3.8114 4.0365 4.0365 4.0870 4.0870 4.3532 4.3532 4.4409 4.4409 4.5906 4.5906 5.0232 5.0232 5.2120 5.2120 5.3922 5.3922 5.4603 5.4603 5.6534 5.6534 5.8471 5.8471 6.1274 6.1274 6.3959 6.3959 6.5789 6.5789 6.6472 6.6472 6.7130 6.7130 6.7268 6.7268 6.7712 6.7712 7.5271 7.5271 7.6268 7.6268 7.7526 7.7526 7.8743 7.8743 14.6698 14.6698 14.9367 14.9367 16.7447 16.7447 17.2045 17.2045 17.4065 17.4065 18.8874 18.8874 19.1188 19.1188 19.5168 19.5168 k = 0.4550 0.2627 0.3511 ( 4639 PWs) bands (ev): -10.8600 -10.8600 -10.2756 -10.2756 -9.3515 -9.3515 -9.0024 -9.0024 -8.9734 -8.9734 -8.8223 -8.8223 -8.8031 -8.8031 -8.6728 -8.6728 1.9337 1.9337 2.0274 2.0274 2.1719 2.1719 2.2222 2.2222 2.7850 2.7850 2.9163 2.9163 2.9684 2.9684 3.1872 3.1872 3.5196 3.5196 3.5713 3.5713 3.7068 3.7068 3.8199 3.8199 4.0184 4.0184 4.0774 4.0774 4.3639 4.3639 4.4467 4.4467 4.6065 4.6065 4.9750 4.9750 5.1867 5.1867 5.3768 5.3768 5.4571 5.4571 5.6482 5.6482 5.8462 5.8462 6.1723 6.1723 6.4126 6.4126 6.5547 6.5547 6.6405 6.6405 6.7199 6.7199 6.7255 6.7255 6.7718 6.7718 7.4860 7.4860 7.6117 7.6117 7.7297 7.7297 7.8791 7.8791 14.6935 14.6935 14.9717 14.9717 16.7246 16.7246 17.2184 17.2184 17.4580 17.4580 18.8813 18.8813 19.1673 19.1673 19.4870 19.4870 k = 0.4500 0.2598 0.3674 ( 4639 PWs) bands (ev): -10.8500 -10.8500 -10.2794 -10.2794 -9.3612 -9.3612 -9.0110 -9.0110 -8.9788 -8.9788 -8.8158 -8.8158 -8.7946 -8.7946 -8.6746 -8.6746 1.9422 1.9422 2.0344 2.0344 2.1842 2.1842 2.2434 2.2434 2.7926 2.7926 2.9308 2.9308 2.9871 2.9871 3.1704 3.1704 3.5136 3.5136 3.5668 3.5668 3.7203 3.7203 3.8291 3.8291 3.9994 3.9994 4.0691 4.0691 4.3738 4.3738 4.4510 4.4510 4.6216 4.6216 4.9306 4.9306 5.1605 5.1605 5.3614 5.3614 5.4524 5.4524 5.6422 5.6422 5.8421 5.8421 6.2159 6.2159 6.4307 6.4307 6.5283 6.5283 6.6337 6.6337 6.7199 6.7199 6.7332 6.7332 6.7730 6.7730 7.4427 7.4427 7.5964 7.5964 7.7043 7.7043 7.8829 7.8829 14.7193 14.7193 15.0088 15.0088 16.7055 16.7055 17.2331 17.2331 17.5119 17.5119 18.8755 18.8755 19.2208 19.2208 19.4522 19.4522 k = 0.4450 0.2569 0.3838 ( 4633 PWs) bands (ev): -10.8391 -10.8391 -10.2839 -10.2839 -9.3710 -9.3710 -9.0196 -9.0196 -8.9843 -8.9843 -8.8095 -8.8095 -8.7860 -8.7860 -8.6766 -8.6766 1.9512 1.9512 2.0421 2.0421 2.1973 2.1973 2.2661 2.2661 2.8011 2.8011 2.9463 2.9463 3.0056 3.0056 3.1529 3.1529 3.5086 3.5086 3.5624 3.5624 3.7338 3.7338 3.8388 3.8388 3.9802 3.9802 4.0621 4.0621 4.3826 4.3826 4.4539 4.4539 4.6325 4.6325 4.8934 4.8934 5.1339 5.1339 5.3463 5.3463 5.4463 5.4463 5.6355 5.6355 5.8347 5.8347 6.2572 6.2572 6.4495 6.4495 6.5003 6.5003 6.6273 6.6273 6.7194 6.7194 6.7436 6.7436 6.7745 6.7745 7.3978 7.3978 7.5811 7.5811 7.6766 7.6766 7.8856 7.8856 14.7469 14.7469 15.0475 15.0475 16.6875 16.6875 17.2482 17.2482 17.5680 17.5680 18.8701 18.8701 19.2790 19.2790 19.4157 19.4157 k = 0.4400 0.2540 0.4001 ( 4639 PWs) bands (ev): -10.8273 -10.8273 -10.2893 -10.2893 -9.3805 -9.3805 -9.0281 -9.0281 -8.9899 -8.9899 -8.8034 -8.8034 -8.7776 -8.7776 -8.6787 -8.6787 1.9607 1.9607 2.0504 2.0504 2.2112 2.2112 2.2904 2.2904 2.8106 2.8106 2.9629 2.9629 3.0225 3.0225 3.1350 3.1350 3.5048 3.5048 3.5585 3.5585 3.7469 3.7469 3.8484 3.8484 3.9616 3.9616 4.0565 4.0565 4.3902 4.3902 4.4556 4.4556 4.6342 4.6342 4.8684 4.8684 5.1070 5.1070 5.3319 5.3319 5.4391 5.4391 5.6280 5.6280 5.8237 5.8237 6.2948 6.2948 6.4629 6.4629 6.4769 6.4769 6.6216 6.6216 6.7204 6.7204 6.7549 6.7549 6.7765 6.7765 7.3522 7.3522 7.5658 7.5658 7.6470 7.6470 7.8873 7.8873 14.7763 14.7763 15.0868 15.0868 16.6708 16.6708 17.2637 17.2637 17.6258 17.6258 18.8646 18.8646 19.3398 19.3398 19.3801 19.3801 k = 0.4350 0.2511 0.4164 ( 4633 PWs) bands (ev): -10.8146 -10.8146 -10.2957 -10.2957 -9.3896 -9.3896 -9.0365 -9.0365 -8.9956 -8.9956 -8.7977 -8.7977 -8.7692 -8.7692 -8.6808 -8.6808 1.9707 1.9707 2.0591 2.0591 2.2257 2.2257 2.3163 2.3163 2.8210 2.8210 2.9805 2.9805 3.0359 3.0359 3.1182 3.1182 3.5024 3.5024 3.5558 3.5558 3.7590 3.7590 3.8569 3.8569 3.9452 3.9452 4.0522 4.0522 4.3964 4.3964 4.4562 4.4562 4.6224 4.6224 4.8600 4.8600 5.0800 5.0800 5.3184 5.3184 5.4308 5.4308 5.6197 5.6197 5.8092 5.8092 6.3275 6.3275 6.4365 6.4365 6.4926 6.4926 6.6175 6.6175 6.7231 6.7231 6.7670 6.7670 6.7790 6.7790 7.3069 7.3069 7.5507 7.5507 7.6158 7.6158 7.8878 7.8878 14.8071 14.8071 15.1262 15.1262 16.6557 16.6557 17.2792 17.2792 17.6854 17.6854 18.8589 18.8589 19.3366 19.3366 19.4121 19.4121 k = 0.4300 0.2483 0.4327 ( 4636 PWs) bands (ev): -10.8010 -10.8010 -10.3030 -10.3030 -9.3980 -9.3980 -9.0447 -9.0447 -9.0013 -9.0013 -8.7926 -8.7926 -8.7610 -8.7610 -8.6830 -8.6830 1.9809 1.9809 2.0680 2.0680 2.2408 2.2408 2.3435 2.3435 2.8322 2.8322 2.9989 2.9989 3.0424 3.0424 3.1053 3.1053 3.5011 3.5011 3.5552 3.5552 3.7688 3.7688 3.8626 3.8626 3.9337 3.9337 4.0493 4.0493 4.4008 4.4008 4.4554 4.4554 4.5983 4.5983 4.8675 4.8675 5.0534 5.0534 5.3062 5.3062 5.4219 5.4219 5.6106 5.6106 5.7914 5.7914 6.3536 6.3536 6.4040 6.4040 6.5136 6.5136 6.6156 6.6156 6.7273 6.7273 6.7792 6.7792 6.7825 6.7825 7.2630 7.2630 7.5357 7.5357 7.5836 7.5836 7.8873 7.8873 14.8391 14.8391 15.1646 15.1646 16.6424 16.6424 17.2944 17.2944 17.7463 17.7463 18.8524 18.8524 19.2979 19.2979 19.4826 19.4826 k = 0.4250 0.2454 0.4491 ( 4636 PWs) bands (ev): -10.7866 -10.7866 -10.3113 -10.3113 -9.4056 -9.4056 -9.0528 -9.0528 -9.0069 -9.0069 -8.7883 -8.7883 -8.7529 -8.7529 -8.6849 -8.6849 1.9914 1.9914 2.0769 2.0769 2.2562 2.2562 2.3720 2.3720 2.8441 2.8441 3.0175 3.0175 3.0385 3.0385 3.0997 3.0997 3.5003 3.5003 3.5580 3.5580 3.7744 3.7744 3.8642 3.8642 3.9303 3.9303 4.0479 4.0479 4.4029 4.4029 4.4523 4.4523 4.5678 4.5678 4.8860 4.8860 5.0277 5.0277 5.2955 5.2955 5.4124 5.4124 5.6007 5.6007 5.7706 5.7706 6.3673 6.3673 6.3752 6.3752 6.5351 6.5351 6.6157 6.6157 6.7329 6.7329 6.7852 6.7852 6.7933 6.7933 7.2220 7.2220 7.5205 7.5205 7.5514 7.5514 7.8856 7.8856 14.8721 14.8721 15.2013 15.2013 16.6315 16.6315 17.3091 17.3091 17.8083 17.8083 18.8444 18.8444 19.2582 19.2582 19.5574 19.5574 k = 0.4200 0.2425 0.4654 ( 4636 PWs) bands (ev): -10.7716 -10.7716 -10.3207 -10.3207 -9.4123 -9.4123 -9.0606 -9.0606 -9.0124 -9.0124 -8.7852 -8.7852 -8.7451 -8.7451 -8.6865 -8.6865 2.0019 2.0019 2.0857 2.0857 2.2719 2.2719 2.4017 2.4017 2.8565 2.8565 3.0208 3.0208 3.0411 3.0411 3.0993 3.0993 3.4991 3.4991 3.5655 3.5655 3.7732 3.7732 3.8639 3.8639 3.9352 3.9352 4.0482 4.0482 4.4014 4.4014 4.4456 4.4456 4.5383 4.5383 4.9095 4.9095 5.0043 5.0043 5.2867 5.2867 5.4026 5.4026 5.5900 5.5900 5.7471 5.7471 6.3350 6.3350 6.3836 6.3836 6.5563 6.5563 6.6163 6.6163 6.7397 6.7397 6.7896 6.7896 6.8069 6.8069 7.1859 7.1859 7.5029 7.5029 7.5218 7.5218 7.8828 7.8828 14.9060 14.9060 15.2353 15.2353 16.6231 16.6231 17.3231 17.3231 17.8713 17.8713 18.8342 18.8342 19.2185 19.2185 19.6028 19.6028 k = 0.4150 0.2396 0.4817 ( 4638 PWs) bands (ev): -10.7559 -10.7559 -10.3313 -10.3313 -9.4178 -9.4178 -9.0683 -9.0683 -9.0178 -9.0178 -8.7833 -8.7833 -8.7374 -8.7374 -8.6874 -8.6874 2.0125 2.0125 2.0942 2.0942 2.2875 2.2875 2.4325 2.4325 2.8689 2.8689 3.0032 3.0032 3.0607 3.0607 3.0991 3.0991 3.4969 3.4969 3.5783 3.5783 3.7638 3.7638 3.8661 3.8661 3.9452 3.9452 4.0502 4.0502 4.3920 4.3920 4.4360 4.4360 4.5159 4.5159 4.9302 4.9302 4.9885 4.9885 5.2803 5.2803 5.3928 5.3928 5.5783 5.5783 5.7216 5.7216 6.3000 6.3000 6.3873 6.3873 6.5765 6.5765 6.6149 6.6149 6.7480 6.7480 6.7950 6.7950 6.8210 6.8210 7.1565 7.1565 7.4772 7.4772 7.5013 7.5013 7.8789 7.8789 14.9403 14.9403 15.2656 15.2656 16.6179 16.6179 17.3359 17.3359 17.9350 17.9350 18.8206 18.8206 19.1799 19.1799 19.5947 19.5947 k = 0.4100 0.2367 0.4981 ( 4642 PWs) bands (ev): -10.7396 -10.7396 -10.3428 -10.3428 -9.4222 -9.4222 -9.0757 -9.0757 -9.0229 -9.0229 -8.7830 -8.7830 -8.7299 -8.7299 -8.6876 -8.6876 2.0229 2.0229 2.1021 2.1021 2.3031 2.3031 2.4640 2.4640 2.8806 2.8806 2.9840 2.9840 3.0805 3.0805 3.0977 3.0977 3.4937 3.4937 3.5957 3.5957 3.7481 3.7481 3.8715 3.8715 3.9577 3.9577 4.0541 4.0541 4.3698 4.3698 4.4288 4.4288 4.5024 4.5024 4.9309 4.9309 4.9953 4.9953 5.2769 5.2769 5.3833 5.3833 5.5658 5.5658 5.6946 5.6946 6.2647 6.2647 6.3857 6.3857 6.5919 6.5919 6.6108 6.6108 6.7577 6.7577 6.8016 6.8016 6.8353 6.8353 7.1358 7.1358 7.4471 7.4471 7.4872 7.4872 7.8740 7.8740 14.9749 14.9749 15.2914 15.2914 16.6161 16.6161 17.3475 17.3475 17.9992 17.9992 18.8024 18.8024 19.1437 19.1437 19.5877 19.5877 k = 0.4050 0.2338 0.5144 ( 4634 PWs) bands (ev): -10.7230 -10.7230 -10.3554 -10.3554 -9.4252 -9.4252 -9.0828 -9.0828 -9.0277 -9.0277 -8.7843 -8.7843 -8.7227 -8.7227 -8.6870 -8.6870 2.0330 2.0330 2.1093 2.1093 2.3182 2.3182 2.4960 2.4960 2.8900 2.8900 2.9666 2.9666 3.0866 3.0866 3.1074 3.1074 3.4898 3.4898 3.6156 3.6156 3.7298 3.7298 3.8788 3.8788 3.9714 3.9714 4.0600 4.0600 4.3378 4.3378 4.4254 4.4254 4.4943 4.4943 4.9151 4.9151 5.0202 5.0202 5.2772 5.2772 5.3744 5.3744 5.5523 5.5523 5.6668 5.6668 6.2295 6.2295 6.3804 6.3804 6.5838 6.5838 6.6195 6.6195 6.7686 6.7686 6.8096 6.8096 6.8499 6.8499 7.1249 7.1249 7.4174 7.4174 7.4754 7.4754 7.8682 7.8682 15.0095 15.0095 15.3119 15.3119 16.6180 16.6180 17.3575 17.3575 18.0636 18.0636 18.7783 18.7783 19.1113 19.1113 19.5822 19.5822 k = 0.4000 0.2309 0.5307 ( 4632 PWs) bands (ev): -10.7062 -10.7062 -10.3687 -10.3687 -9.4269 -9.4269 -9.0897 -9.0897 -9.0322 -9.0322 -8.7873 -8.7873 -8.7157 -8.7157 -8.6855 -8.6855 2.0427 2.0427 2.1157 2.1157 2.3328 2.3328 2.5278 2.5278 2.8933 2.8933 2.9552 2.9552 3.0790 3.0790 3.1283 3.1283 3.4856 3.4856 3.6337 3.6337 3.7137 3.7137 3.8867 3.8867 3.9856 3.9856 4.0681 4.0681 4.3024 4.3024 4.4236 4.4236 4.4884 4.4884 4.8963 4.8963 5.0480 5.0480 5.2822 5.2822 5.3667 5.3667 5.5378 5.5378 5.6391 5.6391 6.1947 6.1947 6.3729 6.3729 6.5582 6.5582 6.6338 6.6338 6.7795 6.7795 6.8193 6.8193 6.8646 6.8646 7.1237 7.1237 7.3901 7.3901 7.4649 7.4649 7.8614 7.8614 15.0438 15.0438 15.3265 15.3265 16.6240 16.6240 17.3657 17.3657 18.1280 18.1280 18.7475 18.7475 19.0835 19.0835 19.5781 19.5781 k = 0.3950 0.2281 0.5471 ( 4636 PWs) bands (ev): -10.6894 -10.6894 -10.3826 -10.3826 -9.4272 -9.4272 -9.0963 -9.0963 -9.0363 -9.0363 -8.7917 -8.7917 -8.7090 -8.7090 -8.6832 -8.6832 2.0519 2.0519 2.1210 2.1210 2.3467 2.3467 2.5584 2.5584 2.8875 2.8875 2.9529 2.9529 3.0691 3.0691 3.1499 3.1499 3.4810 3.4810 3.6403 3.6403 3.7087 3.7087 3.8949 3.8949 3.9996 3.9996 4.0782 4.0782 4.2674 4.2674 4.4225 4.4225 4.4828 4.4828 4.8781 4.8781 5.0737 5.0737 5.2923 5.2923 5.3611 5.3611 5.5223 5.5223 5.6122 5.6122 6.1607 6.1607 6.3644 6.3644 6.5232 6.5232 6.6460 6.6460 6.7892 6.7892 6.8307 6.8307 6.8794 6.8794 7.1312 7.1312 7.3661 7.3661 7.4558 7.4558 7.8538 7.8538 15.0774 15.0774 15.3348 15.3348 16.6339 16.6339 17.3719 17.3719 18.1919 18.1919 18.7099 18.7099 19.0607 19.0607 19.5749 19.5749 k = 0.3900 0.2252 0.5634 ( 4635 PWs) bands (ev): -10.6730 -10.6730 -10.3967 -10.3967 -9.4261 -9.4261 -9.1025 -9.1025 -9.0400 -9.0400 -8.7976 -8.7976 -8.7025 -8.7025 -8.6803 -8.6803 2.0604 2.0604 2.1253 2.1253 2.3595 2.3595 2.5865 2.5865 2.8763 2.8763 2.9554 2.9554 3.0600 3.0600 3.1709 3.1709 3.4762 3.4762 3.6303 3.6303 3.7182 3.7182 3.9040 3.9040 4.0134 4.0134 4.0902 4.0902 4.2350 4.2350 4.4216 4.4216 4.4769 4.4769 4.8617 4.8617 5.0951 5.0951 5.3056 5.3056 5.3605 5.3605 5.5058 5.5058 5.5871 5.5871 6.1276 6.1276 6.3555 6.3555 6.4815 6.4815 6.6550 6.6550 6.7966 6.7966 6.8437 6.8437 6.8942 6.8942 7.1457 7.1457 7.3466 7.3466 7.4481 7.4481 7.8454 7.8454 15.1098 15.1098 15.3369 15.3369 16.6477 16.6477 17.3760 17.3760 18.2549 18.2549 18.6661 18.6661 19.0427 19.0427 19.5723 19.5723 k = 0.3850 0.2223 0.5797 ( 4631 PWs) bands (ev): -10.6577 -10.6577 -10.4104 -10.4104 -9.4236 -9.4236 -9.1085 -9.1085 -9.0433 -9.0433 -8.8047 -8.8047 -8.6963 -8.6963 -8.6770 -8.6770 2.0679 2.0679 2.1285 2.1285 2.3712 2.3712 2.6098 2.6098 2.8658 2.8658 2.9557 2.9557 3.0555 3.0555 3.1903 3.1903 3.4714 3.4714 3.6131 3.6131 3.7310 3.7310 3.9147 3.9147 4.0268 4.0268 4.1038 4.1038 4.2071 4.2071 4.4206 4.4206 4.4705 4.4705 4.8472 4.8472 5.1116 5.1116 5.3156 5.3156 5.3711 5.3711 5.4888 5.4888 5.5650 5.5650 6.0958 6.0958 6.3470 6.3470 6.4349 6.4349 6.6605 6.6605 6.8001 6.8001 6.8588 6.8588 6.9089 6.9089 7.1650 7.1650 7.3326 7.3326 7.4418 7.4418 7.8363 7.8363 15.1402 15.1402 15.3334 15.3334 16.6648 16.6648 17.3777 17.3777 18.3159 18.3159 18.6180 18.6180 19.0284 19.0284 19.5701 19.5701 k = 0.3800 0.2194 0.5960 ( 4634 PWs) bands (ev): -10.6442 -10.6442 -10.4228 -10.4228 -9.4199 -9.4199 -9.1141 -9.1141 -9.0461 -9.0461 -8.8127 -8.8127 -8.6904 -8.6904 -8.6734 -8.6734 2.0744 2.0744 2.1305 2.1305 2.3814 2.3814 2.6256 2.6256 2.8598 2.8598 2.9502 2.9502 3.0583 3.0583 3.2069 3.2069 3.4664 3.4664 3.5959 3.5959 3.7386 3.7386 3.9271 3.9271 4.0405 4.0405 4.1184 4.1184 4.1853 4.1853 4.4193 4.4193 4.4639 4.4639 4.8349 4.8349 5.1238 5.1238 5.3179 5.3179 5.3942 5.3942 5.4737 5.4737 5.5466 5.5466 6.0657 6.0657 6.3389 6.3389 6.3855 6.3855 6.6626 6.6626 6.7990 6.7990 6.8758 6.8758 6.9234 6.9234 7.1873 7.1873 7.3249 7.3249 7.4372 7.4372 7.8266 7.8266 15.1667 15.1667 15.3261 15.3261 16.6848 16.6848 17.3770 17.3770 18.3720 18.3720 18.5692 18.5692 19.0170 19.0170 19.5677 19.5677 k = 0.3750 0.2165 0.6124 ( 4622 PWs) bands (ev): -10.6338 -10.6338 -10.4327 -10.4327 -9.4148 -9.4148 -9.1194 -9.1194 -9.0484 -9.0484 -8.8217 -8.8217 -8.6848 -8.6848 -8.6696 -8.6696 2.0794 2.0794 2.1314 2.1314 2.3901 2.3901 2.6315 2.6315 2.8585 2.8585 2.9415 2.9415 3.0680 3.0680 3.2191 3.2191 3.4618 3.4618 3.5819 3.5819 3.7378 3.7378 3.9398 3.9398 4.0554 4.0554 4.1329 4.1329 4.1714 4.1714 4.4172 4.4172 4.4580 4.4580 4.8247 4.8247 5.1328 5.1328 5.3163 5.3163 5.4137 5.4137 5.4707 5.4707 5.5337 5.5337 6.0376 6.0376 6.3268 6.3268 6.3394 6.3394 6.6617 6.6617 6.7928 6.7928 6.8944 6.8944 6.9378 6.9378 7.2108 7.2108 7.3243 7.3243 7.4342 7.4342 7.8165 7.8165 15.1857 15.1857 15.3188 15.3188 16.7069 16.7069 17.3736 17.3736 18.4108 18.4108 18.5326 18.5326 19.0074 19.0074 19.5650 19.5650 k = 0.6250-0.0722 0.4082 ( 4622 PWs) bands (ev): -10.6338 -10.6338 -10.4327 -10.4327 -9.4148 -9.4148 -9.1194 -9.1194 -9.0484 -9.0484 -8.8217 -8.8217 -8.6848 -8.6848 -8.6697 -8.6697 2.0794 2.0794 2.1314 2.1314 2.3901 2.3901 2.6315 2.6315 2.8585 2.8585 2.9415 2.9415 3.0680 3.0680 3.2191 3.2191 3.4618 3.4618 3.5819 3.5819 3.7378 3.7378 3.9398 3.9398 4.0554 4.0554 4.1329 4.1329 4.1714 4.1714 4.4172 4.4172 4.4580 4.4580 4.8247 4.8247 5.1328 5.1328 5.3163 5.3163 5.4137 5.4137 5.4707 5.4707 5.5337 5.5337 6.0376 6.0376 6.3268 6.3268 6.3394 6.3394 6.6617 6.6617 6.7928 6.7928 6.8944 6.8944 6.9378 6.9378 7.2108 7.2108 7.3243 7.3243 7.4343 7.4343 7.8165 7.8165 15.1857 15.1857 15.3188 15.3188 16.7069 16.7069 17.3736 17.3736 18.4108 18.4108 18.5326 18.5326 19.0074 19.0074 19.5650 19.5650 k = 0.6161-0.0876 0.4082 ( 4646 PWs) bands (ev): -10.6195 -10.6195 -10.4467 -10.4467 -9.4039 -9.4039 -9.1282 -9.1282 -9.0521 -9.0521 -8.8387 -8.8387 -8.6753 -8.6753 -8.6629 -8.6629 2.0863 2.0863 2.1320 2.1320 2.4036 2.4036 2.6297 2.6297 2.8554 2.8554 2.9306 2.9306 3.0920 3.0920 3.2351 3.2351 3.4539 3.4539 3.5614 3.5614 3.7291 3.7291 3.9580 3.9580 4.0839 4.0839 4.1425 4.1425 4.1721 4.1721 4.4111 4.4111 4.4517 4.4517 4.8091 4.8091 5.1442 5.1442 5.3117 5.3117 5.4303 5.4303 5.4864 5.4864 5.5241 5.5241 5.9890 5.9890 6.2730 6.2730 6.2875 6.2875 6.6574 6.6574 6.7769 6.7769 6.9285 6.9285 6.9633 6.9633 7.2536 7.2536 7.3299 7.3299 7.4305 7.4305 7.7978 7.7978 15.2068 15.2068 15.3094 15.3094 16.7495 16.7495 17.3646 17.3646 18.4384 18.4384 18.4978 18.4978 18.9976 18.9976 19.5578 19.5578 k = 0.6071-0.1031 0.4082 ( 4648 PWs) bands (ev): -10.6064 -10.6064 -10.4597 -10.4597 -9.3912 -9.3912 -9.1365 -9.1365 -9.0558 -9.0558 -8.8566 -8.8566 -8.6664 -8.6664 -8.6564 -8.6564 2.0922 2.0922 2.1322 2.1322 2.4160 2.4160 2.6223 2.6223 2.8506 2.8506 2.9230 2.9230 3.1193 3.1193 3.2502 3.2502 3.4455 3.4455 3.5425 3.5425 3.7216 3.7216 3.9666 3.9666 4.1128 4.1128 4.1341 4.1341 4.1972 4.1972 4.4030 4.4030 4.4522 4.4522 4.7951 4.7951 5.1518 5.1518 5.3065 5.3065 5.4470 5.4470 5.4946 5.4946 5.5333 5.5333 5.9398 5.9398 6.2173 6.2173 6.2348 6.2348 6.6530 6.6530 6.7604 6.7604 6.9618 6.9618 6.9890 6.9890 7.2967 7.2967 7.3365 7.3365 7.4268 7.4268 7.7791 7.7791 15.2228 15.2228 15.3002 15.3002 16.7952 16.7952 17.3545 17.3545 18.4509 18.4509 18.4637 18.4637 19.0011 19.0011 19.5469 19.5469 k = 0.5982-0.1186 0.4082 ( 4664 PWs) bands (ev): -10.5946 -10.5946 -10.4719 -10.4719 -9.3769 -9.3769 -9.1443 -9.1443 -9.0594 -9.0594 -8.8753 -8.8753 -8.6581 -8.6581 -8.6500 -8.6500 2.0971 2.0971 2.1320 2.1320 2.4274 2.4274 2.6103 2.6103 2.8470 2.8470 2.9163 2.9163 3.1489 3.1489 3.2643 3.2643 3.4363 3.4363 3.5255 3.5255 3.7151 3.7151 3.9626 3.9626 4.1246 4.1246 4.1508 4.1508 4.2208 4.2208 4.3953 4.3953 4.4595 4.4595 4.7824 4.7824 5.1572 5.1572 5.3008 5.3008 5.4532 5.4532 5.5107 5.5107 5.5532 5.5532 5.8905 5.8905 6.1601 6.1601 6.1818 6.1818 6.6487 6.6487 6.7438 6.7438 6.9938 6.9938 7.0145 7.0145 7.3335 7.3335 7.3493 7.3493 7.4234 7.4234 7.7603 7.7603 15.2343 15.2343 15.2913 15.2913 16.8433 16.8433 17.3436 17.3436 18.4255 18.4255 18.4534 18.4534 19.0181 19.0181 19.5330 19.5330 k = 0.5893-0.1340 0.4082 ( 4654 PWs) bands (ev): -10.5840 -10.5840 -10.4831 -10.4831 -9.3611 -9.3611 -9.1514 -9.1514 -9.0629 -9.0629 -8.8949 -8.8949 -8.6503 -8.6503 -8.6439 -8.6439 2.1013 2.1013 2.1315 2.1315 2.4377 2.4377 2.5952 2.5952 2.8454 2.8454 2.9095 2.9095 3.1801 3.1801 3.2775 3.2775 3.4264 3.4264 3.5109 3.5109 3.7095 3.7095 3.9468 3.9468 4.1291 4.1291 4.1841 4.1841 4.2384 4.2384 4.3897 4.3897 4.4743 4.4743 4.7712 4.7712 5.1617 5.1617 5.2951 5.2951 5.4513 5.4513 5.5381 5.5381 5.5755 5.5755 5.8413 5.8413 6.1025 6.1025 6.1291 6.1291 6.6446 6.6446 6.7273 6.7273 7.0241 7.0241 7.0397 7.0397 7.3456 7.3456 7.3849 7.3849 7.4207 7.4207 7.7417 7.7417 15.2419 15.2419 15.2828 15.2828 16.8934 16.8934 17.3325 17.3325 18.3912 18.3912 18.4406 18.4406 19.0467 19.0467 19.5168 19.5168 k = 0.5804-0.1495 0.4082 ( 4658 PWs) bands (ev): -10.5746 -10.5746 -10.4932 -10.4932 -9.3439 -9.3439 -9.1578 -9.1578 -9.0663 -9.0663 -8.9151 -8.9151 -8.6432 -8.6432 -8.6382 -8.6382 2.1049 2.1049 2.1308 2.1308 2.4470 2.4470 2.5786 2.5786 2.8452 2.8452 2.9025 2.9025 3.2119 3.2119 3.2899 3.2899 3.4159 3.4159 3.4988 3.4988 3.7047 3.7047 3.9230 3.9230 4.1371 4.1371 4.2184 4.2184 4.2490 4.2490 4.3874 4.3874 4.4963 4.4963 4.7613 4.7613 5.1664 5.1664 5.2896 5.2896 5.4488 5.4488 5.5691 5.5691 5.5980 5.5980 5.7928 5.7928 6.0449 6.0449 6.0771 6.0771 6.6407 6.6407 6.7111 6.7111 7.0526 7.0526 7.0643 7.0643 7.3526 7.3526 7.4108 7.4108 7.4307 7.4307 7.7233 7.7233 15.2463 15.2463 15.2747 15.2747 16.9446 16.9446 17.3214 17.3214 18.3582 18.3582 18.4187 18.4187 19.0838 19.0838 19.4993 19.4993 k = 0.5714-0.1650 0.4082 ( 4662 PWs) bands (ev): -10.5664 -10.5664 -10.5024 -10.5024 -9.3255 -9.3255 -9.1637 -9.1637 -9.0694 -9.0694 -8.9360 -8.9360 -8.6368 -8.6368 -8.6330 -8.6330 2.1078 2.1078 2.1299 2.1299 2.4552 2.4552 2.5616 2.5616 2.8460 2.8460 2.8955 2.8955 3.2436 3.2436 3.3016 3.3016 3.4052 3.4052 3.4891 3.4891 3.7006 3.7006 3.8944 3.8944 4.1463 4.1463 4.2436 4.2436 4.2615 4.2615 4.3883 4.3883 4.5244 4.5244 4.7526 4.7526 5.1720 5.1720 5.2844 5.2844 5.4482 5.4482 5.5994 5.5994 5.6203 5.6203 5.7457 5.7457 5.9883 5.9883 6.0264 6.0264 6.6371 6.6371 6.6955 6.6955 7.0788 7.0788 7.0882 7.0882 7.3589 7.3589 7.4100 7.4100 7.4650 7.4650 7.7054 7.7054 15.2480 15.2480 15.2672 15.2672 16.9959 16.9959 17.3105 17.3105 18.3271 18.3271 18.3905 18.3905 19.1264 19.1264 19.4811 19.4811 k = 0.5625-0.1804 0.4082 ( 4658 PWs) bands (ev): -10.5594 -10.5594 -10.5105 -10.5105 -9.3060 -9.3060 -9.1689 -9.1689 -9.0722 -9.0722 -8.9573 -8.9573 -8.6310 -8.6310 -8.6282 -8.6282 2.1103 2.1103 2.1288 2.1288 2.4624 2.4624 2.5453 2.5453 2.8473 2.8473 2.8887 2.8887 3.2739 3.2739 3.3133 3.3133 3.3951 3.3951 3.4815 3.4815 3.6971 3.6971 3.8635 3.8635 4.1553 4.1553 4.2449 4.2449 4.2917 4.2917 4.3918 4.3918 4.5566 4.5566 4.7451 4.7451 5.1789 5.1789 5.2796 5.2796 5.4504 5.4504 5.6259 5.6259 5.6422 5.6422 5.7017 5.7017 5.9334 5.9334 5.9773 5.9773 6.6339 6.6339 6.6806 6.6806 7.1028 7.1028 7.1109 7.1109 7.3648 7.3648 7.4068 7.4068 7.4988 7.4988 7.6882 7.6882 15.2480 15.2480 15.2603 15.2603 17.0465 17.0465 17.3003 17.3003 18.2985 18.2985 18.3586 18.3586 19.1717 19.1717 19.4632 19.4632 k = 0.5536-0.1959 0.4082 ( 4646 PWs) bands (ev): -10.5533 -10.5533 -10.5176 -10.5176 -9.2858 -9.2858 -9.1734 -9.1734 -9.0747 -9.0747 -8.9791 -8.9791 -8.6260 -8.6260 -8.6240 -8.6240 2.1124 2.1124 2.1277 2.1277 2.4686 2.4686 2.5303 2.5303 2.8487 2.8487 2.8823 2.8823 3.2996 3.2996 3.3267 3.3267 3.3872 3.3872 3.4756 3.4756 3.6943 3.6943 3.8314 3.8314 4.1633 4.1633 4.2399 4.2399 4.3229 4.3229 4.3973 4.3973 4.5905 4.5905 4.7387 4.7387 5.1873 5.1873 5.2753 5.2753 5.4553 5.4553 5.6446 5.6446 5.6480 5.6480 5.6796 5.6796 5.8814 5.8814 5.9305 5.9305 6.6310 6.6310 6.6668 6.6668 7.1244 7.1244 7.1319 7.1319 7.3703 7.3703 7.4034 7.4034 7.5291 7.5291 7.6719 7.6719 15.2465 15.2465 15.2542 15.2542 17.0950 17.0950 17.2910 17.2910 18.2729 18.2729 18.3254 18.3254 19.2176 19.2176 19.4462 19.4462 k = 0.5446-0.2114 0.4082 ( 4656 PWs) bands (ev): -10.5484 -10.5484 -10.5236 -10.5236 -9.2651 -9.2651 -9.1772 -9.1772 -9.0769 -9.0769 -9.0009 -9.0009 -8.6217 -8.6217 -8.6203 -8.6203 2.1141 2.1141 2.1264 2.1264 2.4737 2.4737 2.5171 2.5171 2.8501 2.8501 2.8765 2.8765 3.3160 3.3160 3.3420 3.3420 3.3854 3.3854 3.4711 3.4711 3.6920 3.6920 3.7994 3.7994 4.1702 4.1702 4.2329 4.2329 4.3514 4.3514 4.4037 4.4037 4.6240 4.6240 4.7334 4.7334 5.1973 5.1973 5.2713 5.2713 5.4628 5.4628 5.6111 5.6111 5.6630 5.6630 5.6980 5.6980 5.8333 5.8333 5.8869 5.8869 6.6285 6.6285 6.6544 6.6544 7.1437 7.1437 7.1505 7.1505 7.3751 7.3751 7.4000 7.4000 7.5554 7.5554 7.6570 7.6570 15.2444 15.2444 15.2489 15.2489 17.1402 17.1402 17.2827 17.2827 18.2506 18.2506 18.2926 18.2926 19.2621 19.2621 19.4307 19.4307 k = 0.5357-0.2268 0.4082 ( 4656 PWs) bands (ev): -10.5444 -10.5444 -10.5286 -10.5286 -9.2442 -9.2442 -9.1804 -9.1804 -9.0787 -9.0787 -9.0226 -9.0226 -8.6182 -8.6182 -8.6173 -8.6173 2.1157 2.1157 2.1252 2.1252 2.4780 2.4780 2.5059 2.5059 2.8515 2.8515 2.8713 2.8713 3.3255 3.3255 3.3491 3.3491 3.3977 3.3977 3.4678 3.4678 3.6901 3.6901 3.7685 3.7685 4.1762 4.1762 4.2253 4.2253 4.3760 4.3760 4.4104 4.4104 4.6552 4.6552 4.7291 4.7291 5.2084 5.2084 5.2675 5.2675 5.4723 5.4723 5.5760 5.5760 5.6754 5.6754 5.7174 5.7174 5.7912 5.7912 5.8476 5.8476 6.6264 6.6264 6.6436 6.6436 7.1605 7.1605 7.1664 7.1664 7.3792 7.3792 7.3968 7.3968 7.5774 7.5774 7.6439 7.6439 15.2419 15.2419 15.2444 15.2444 17.1806 17.1806 17.2756 17.2756 18.2320 18.2320 18.2622 18.2622 19.3033 19.3033 19.4174 19.4174 k = 0.5268-0.2423 0.4082 ( 4664 PWs) bands (ev): -10.5413 -10.5413 -10.5324 -10.5324 -9.2240 -9.2240 -9.1829 -9.1829 -9.0801 -9.0801 -9.0433 -9.0433 -8.6154 -8.6154 -8.6149 -8.6149 2.1170 2.1170 2.1240 2.1240 2.4812 2.4812 2.4971 2.4971 2.8529 2.8529 2.8669 2.8669 3.3317 3.3317 3.3475 3.3475 3.4195 3.4195 3.4653 3.4653 3.6888 3.6888 3.7399 3.7399 4.1815 4.1815 4.2176 4.2176 4.3960 4.3960 4.4165 4.4165 4.6822 4.6822 4.7257 4.7257 5.2200 5.2200 5.2639 5.2639 5.4829 5.4829 5.5461 5.5461 5.6844 5.6844 5.7276 5.7276 5.7615 5.7615 5.8140 5.8140 6.6247 6.6247 6.6347 6.6347 7.1743 7.1743 7.1790 7.1790 7.3826 7.3826 7.3940 7.3940 7.5948 7.5948 7.6330 7.6330 15.2396 15.2396 15.2408 15.2408 17.2145 17.2145 17.2700 17.2700 18.2172 18.2172 18.2359 18.2359 19.3391 19.3391 19.4065 19.4065 k = 0.5179-0.2577 0.4082 ( 4676 PWs) bands (ev): -10.5391 -10.5391 -10.5352 -10.5352 -9.2057 -9.2057 -9.1846 -9.1846 -9.0812 -9.0812 -9.0621 -9.0621 -8.6134 -8.6134 -8.6132 -8.6132 2.1182 2.1182 2.1228 2.1228 2.4835 2.4835 2.4907 2.4907 2.8543 2.8543 2.8632 2.8632 3.3358 3.3358 3.3444 3.3444 3.4409 3.4409 3.4637 3.4637 3.6880 3.6880 3.7156 3.7156 4.1866 4.1866 4.2103 4.2103 4.4108 4.4108 4.4212 4.4212 4.7031 4.7031 4.7233 4.7233 5.2313 5.2313 5.2600 5.2600 5.4931 5.4931 5.5231 5.5231 5.6898 5.6898 5.7150 5.7150 5.7587 5.7587 5.7882 5.7882 6.6235 6.6235 6.6281 6.6281 7.1848 7.1848 7.1881 7.1881 7.3851 7.3851 7.3917 7.3917 7.6074 7.6074 7.6247 7.6247 15.2377 15.2377 15.2382 15.2382 17.2404 17.2404 17.2659 17.2659 18.2064 18.2064 18.2154 18.2154 19.3673 19.3673 19.3986 19.3986 k = 0.5089-0.2732 0.4082 ( 4692 PWs) bands (ev): -10.5378 -10.5378 -10.5369 -10.5369 -9.1916 -9.1916 -9.1857 -9.1857 -9.0818 -9.0818 -9.0764 -9.0764 -8.6123 -8.6123 -8.6122 -8.6122 2.1193 2.1193 2.1216 2.1216 2.4849 2.4849 2.4868 2.4868 2.8559 2.8559 2.8602 2.8602 3.3385 3.3385 3.3419 3.3419 3.4565 3.4565 3.4627 3.4627 3.6879 3.6879 3.6982 3.6982 4.1919 4.1919 4.2036 4.2036 4.4201 4.4201 4.4240 4.4240 4.7164 4.7164 4.7219 4.7219 5.2412 5.2412 5.2553 5.2553 5.5006 5.5006 5.5086 5.5086 5.6921 5.6921 5.6995 5.6995 5.7641 5.7641 5.7721 5.7721 6.6228 6.6228 6.6240 6.6240 7.1916 7.1916 7.1934 7.1934 7.3870 7.3870 7.3899 7.3899 7.6149 7.6149 7.6195 7.6195 15.2365 15.2365 15.2367 15.2367 17.2566 17.2566 17.2634 17.2634 18.1999 18.1999 18.2025 18.2025 19.3855 19.3855 19.3937 19.3937 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -10.5374 -10.5374 -10.5374 -10.5374 -9.1861 -9.1861 -9.1860 -9.1860 -9.0820 -9.0820 -9.0820 -9.0820 -8.6118 -8.6118 -8.6118 -8.6118 2.1205 2.1205 2.1205 2.1205 2.4854 2.4854 2.4854 2.4854 2.8578 2.8578 2.8578 2.8578 3.3401 3.3401 3.3401 3.3401 3.4623 3.4623 3.4623 3.4623 3.6898 3.6898 3.6898 3.6898 4.1974 4.1974 4.1974 4.1974 4.4241 4.4241 4.4241 4.4241 4.7211 4.7211 4.7211 4.7211 5.2492 5.2492 5.2492 5.2492 5.5036 5.5036 5.5036 5.5036 5.6931 5.6931 5.6931 5.6931 5.7665 5.7665 5.7665 5.7665 6.6226 6.6226 6.6226 6.6226 7.1945 7.1945 7.1945 7.1945 7.3884 7.3884 7.3884 7.3884 7.6176 7.6176 7.6176 7.6176 15.2361 15.2361 15.2361 15.2361 17.2624 17.2624 17.2624 17.2624 18.1979 18.1979 18.1979 18.1979 19.3919 19.3919 19.3919 19.3919 Writing output data file Al2ZnO4.save init_run : 0.36s CPU 0.51s WALL ( 1 calls) electrons : 453.70s CPU 459.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 453.69s CPU 459.26s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.11s WALL ( 267 calls) cegterg : 423.58s CPU 428.40s WALL ( 482 calls) Called by sum_band: Called by *egterg: h_psi : 201.74s CPU 204.39s WALL ( 8278 calls) s_psi : 19.82s CPU 19.87s WALL ( 8278 calls) g_psi : 0.52s CPU 0.40s WALL ( 7529 calls) cdiaghg : 182.03s CPU 184.39s WALL ( 7796 calls) cegterg:over : 17.70s CPU 17.74s WALL ( 7529 calls) cegterg:upda : 14.40s CPU 14.56s WALL ( 7529 calls) cegterg:last : 6.96s CPU 6.93s WALL ( 1016 calls) cdiaghg:chol : 10.78s CPU 11.18s WALL ( 7796 calls) cdiaghg:inve : 8.72s CPU 8.58s WALL ( 7796 calls) cdiaghg:para : 15.26s CPU 15.34s WALL ( 15592 calls) Called by h_psi: h_psi:vloc : 156.78s CPU 159.26s WALL ( 8278 calls) h_psi:vnl : 44.41s CPU 44.58s WALL ( 8278 calls) add_vuspsi : 23.08s CPU 23.18s WALL ( 8278 calls) General routines calbec : 21.31s CPU 21.37s WALL ( 8278 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 146.33s CPU 148.80s WALL ( 1345892 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.29s WALL ( 534 calls) Parallel routines fft_scatter : 54.26s CPU 55.50s WALL ( 1345915 calls) PWSCF : 7m58.59s CPU 8m16.62s WALL This run was terminated on: 18:38:41 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. 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