Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:36:24 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: ./ZnNi2Ge.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized 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 31 20 5 685 355 56 Max 32 21 6 687 376 61 Sum 1123 745 211 24693 13107 2109 bravais-lattice index = 14 lattice parameter (alat) = 7.6700 a.u. unit-cell volume = 319.0599 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.670006 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Ge 4.00 72.64000 Ge( 1.00) Ni 10.00 58.69340 Ni( 1.00) Zn 12.00 65.40900 Zn( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 367 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0090909 -0.0052486 0.0074227), wk = 0.0027248 k( 3) = ( 0.0181818 -0.0104973 0.0148454), wk = 0.0027248 k( 4) = ( 0.0272727 -0.0157459 0.0222681), wk = 0.0027248 k( 5) = ( 0.0363636 -0.0209946 0.0296908), wk = 0.0027248 k( 6) = ( 0.0454546 -0.0262432 0.0371135), wk = 0.0027248 k( 7) = ( 0.0545455 -0.0314918 0.0445362), wk = 0.0027248 k( 8) = ( 0.0636364 -0.0367405 0.0519589), wk = 0.0027248 k( 9) = ( 0.0727273 -0.0419891 0.0593816), wk = 0.0027248 k( 10) = ( 0.0818182 -0.0472377 0.0668043), wk = 0.0027248 k( 11) = ( 0.0909091 -0.0524864 0.0742270), wk = 0.0027248 k( 12) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0027248 k( 13) = ( 0.1090909 -0.0629837 0.0890724), wk = 0.0027248 k( 14) = ( 0.1181818 -0.0682323 0.0964951), wk = 0.0027248 k( 15) = ( 0.1272727 -0.0734809 0.1039177), wk = 0.0027248 k( 16) = ( 0.1363636 -0.0787296 0.1113404), wk = 0.0027248 k( 17) = ( 0.1454545 -0.0839782 0.1187631), wk = 0.0027248 k( 18) = ( 0.1545455 -0.0892269 0.1261858), wk = 0.0027248 k( 19) = ( 0.1636364 -0.0944755 0.1336085), wk = 0.0027248 k( 20) = ( 0.1727273 -0.0997241 0.1410312), wk = 0.0027248 k( 21) = ( 0.1818182 -0.1049728 0.1484539), wk = 0.0027248 k( 22) = ( 0.1909091 -0.1102214 0.1558766), wk = 0.0027248 k( 23) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0027248 k( 24) = ( 0.2090909 -0.1207187 0.1707220), wk = 0.0027248 k( 25) = ( 0.2181818 -0.1259673 0.1781447), wk = 0.0027248 k( 26) = ( 0.2272727 -0.1312160 0.1855674), wk = 0.0027248 k( 27) = ( 0.2363636 -0.1364646 0.1929901), wk = 0.0027248 k( 28) = ( 0.2454545 -0.1417133 0.2004128), wk = 0.0027248 k( 29) = ( 0.2545455 -0.1469619 0.2078355), wk = 0.0027248 k( 30) = ( 0.2636364 -0.1522105 0.2152582), wk = 0.0027248 k( 31) = ( 0.2727273 -0.1574592 0.2226809), wk = 0.0027248 k( 32) = ( 0.2818182 -0.1627078 0.2301036), wk = 0.0027248 k( 33) = ( 0.2909091 -0.1679564 0.2375263), wk = 0.0027248 k( 34) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0027248 k( 35) = ( 0.3090909 -0.1784537 0.2523717), wk = 0.0027248 k( 36) = ( 0.3181818 -0.1837024 0.2597944), wk = 0.0027248 k( 37) = ( 0.3272727 -0.1889510 0.2672171), wk = 0.0027248 k( 38) = ( 0.3363636 -0.1941996 0.2746398), wk = 0.0027248 k( 39) = ( 0.3454546 -0.1994483 0.2820625), wk = 0.0027248 k( 40) = ( 0.3545454 -0.2046969 0.2894851), wk = 0.0027248 k( 41) = ( 0.3636364 -0.2099456 0.2969078), wk = 0.0027248 k( 42) = ( 0.3727273 -0.2151942 0.3043305), wk = 0.0027248 k( 43) = ( 0.3818182 -0.2204428 0.3117532), wk = 0.0027248 k( 44) = ( 0.3909091 -0.2256915 0.3191759), wk = 0.0027248 k( 45) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0027248 k( 46) = ( 0.4090909 -0.2361887 0.3340213), wk = 0.0027248 k( 47) = ( 0.4181818 -0.2414374 0.3414440), wk = 0.0027248 k( 48) = ( 0.4272727 -0.2466860 0.3488667), wk = 0.0027248 k( 49) = ( 0.4363636 -0.2519347 0.3562894), wk = 0.0027248 k( 50) = ( 0.4454546 -0.2571833 0.3637121), wk = 0.0027248 k( 51) = ( 0.4545455 -0.2624319 0.3711348), wk = 0.0027248 k( 52) = ( 0.4636364 -0.2676806 0.3785575), wk = 0.0027248 k( 53) = ( 0.4727273 -0.2729292 0.3859802), wk = 0.0027248 k( 54) = ( 0.4818182 -0.2781779 0.3934029), wk = 0.0027248 k( 55) = ( 0.4909091 -0.2834265 0.4008256), wk = 0.0027248 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027248 k( 57) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027248 k( 58) = ( 0.5000000 -0.2783653 0.4155384), wk = 0.0027248 k( 59) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0027248 k( 60) = ( 0.5000000 -0.2577457 0.4301187), wk = 0.0027248 k( 61) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0027248 k( 62) = ( 0.5000000 -0.2371260 0.4446990), wk = 0.0027248 k( 63) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0027248 k( 64) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0027248 k( 65) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0027248 k( 66) = ( 0.5000000 -0.1958867 0.4738596), wk = 0.0027248 k( 67) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0027248 k( 68) = ( 0.5000000 -0.1752670 0.4884399), wk = 0.0027248 k( 69) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0027248 k( 70) = ( 0.5000000 -0.1546474 0.5030202), wk = 0.0027248 k( 71) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0027248 k( 72) = ( 0.5000000 -0.1340277 0.5176005), wk = 0.0027248 k( 73) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0027248 k( 74) = ( 0.5000000 -0.1134081 0.5321808), wk = 0.0027248 k( 75) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0027248 k( 76) = ( 0.5000000 -0.0927884 0.5467611), wk = 0.0027248 k( 77) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0027248 k( 78) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0027248 k( 79) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0027248 k( 80) = ( 0.5000000 -0.0515491 0.5759217), wk = 0.0027248 k( 81) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0027248 k( 82) = ( 0.5000000 -0.0309295 0.5905020), wk = 0.0027248 k( 83) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0027248 k( 84) = ( 0.5000000 -0.0103098 0.6050823), wk = 0.0027248 k( 85) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027248 k( 86) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027248 k( 87) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0027248 k( 88) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0027248 k( 89) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0027248 k( 90) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0027248 k( 91) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0027248 k( 92) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0027248 k( 93) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0027248 k( 94) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0027248 k( 95) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0027248 k( 96) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0027248 k( 97) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0027248 k( 98) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0027248 k( 99) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0027248 k( 100) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0027248 k( 101) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0027248 k( 102) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0027248 k( 103) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0027248 k( 104) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0027248 k( 105) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0027248 k( 106) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027248 k( 107) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027248 k( 108) = ( 0.3686441 0.2128368 0.6019932), wk = 0.0027248 k( 109) = ( 0.3622881 0.2091672 0.5916140), wk = 0.0027248 k( 110) = ( 0.3559322 0.2054976 0.5812349), wk = 0.0027248 k( 111) = ( 0.3495763 0.2018280 0.5708557), wk = 0.0027248 k( 112) = ( 0.3432203 0.1981584 0.5604765), wk = 0.0027248 k( 113) = ( 0.3368644 0.1944888 0.5500973), wk = 0.0027248 k( 114) = ( 0.3305085 0.1908192 0.5397181), wk = 0.0027248 k( 115) = ( 0.3241525 0.1871496 0.5293389), wk = 0.0027248 k( 116) = ( 0.3177966 0.1834800 0.5189597), wk = 0.0027248 k( 117) = ( 0.3114407 0.1798104 0.5085805), wk = 0.0027248 k( 118) = ( 0.3050848 0.1761408 0.4982013), wk = 0.0027248 k( 119) = ( 0.2987288 0.1724712 0.4878221), wk = 0.0027248 k( 120) = ( 0.2923729 0.1688016 0.4774429), wk = 0.0027248 k( 121) = ( 0.2860169 0.1651320 0.4670637), wk = 0.0027248 k( 122) = ( 0.2796610 0.1614624 0.4566845), wk = 0.0027248 k( 123) = ( 0.2733051 0.1577928 0.4463053), wk = 0.0027248 k( 124) = ( 0.2669492 0.1541232 0.4359261), wk = 0.0027248 k( 125) = ( 0.2605932 0.1504536 0.4255469), wk = 0.0027248 k( 126) = ( 0.2542373 0.1467840 0.4151678), wk = 0.0027248 k( 127) = ( 0.2478814 0.1431144 0.4047886), wk = 0.0027248 k( 128) = ( 0.2415254 0.1394448 0.3944094), wk = 0.0027248 k( 129) = ( 0.2351695 0.1357752 0.3840302), wk = 0.0027248 k( 130) = ( 0.2288136 0.1321056 0.3736510), wk = 0.0027248 k( 131) = ( 0.2224576 0.1284360 0.3632718), wk = 0.0027248 k( 132) = ( 0.2161017 0.1247664 0.3528926), wk = 0.0027248 k( 133) = ( 0.2097458 0.1210968 0.3425134), wk = 0.0027248 k( 134) = ( 0.2033898 0.1174272 0.3321342), wk = 0.0027248 k( 135) = ( 0.1970339 0.1137576 0.3217550), wk = 0.0027248 k( 136) = ( 0.1906780 0.1100880 0.3113758), wk = 0.0027248 k( 137) = ( 0.1843220 0.1064184 0.3009966), wk = 0.0027248 k( 138) = ( 0.1779661 0.1027488 0.2906174), wk = 0.0027248 k( 139) = ( 0.1716102 0.0990792 0.2802382), wk = 0.0027248 k( 140) = ( 0.1652542 0.0954096 0.2698590), wk = 0.0027248 k( 141) = ( 0.1588983 0.0917400 0.2594798), wk = 0.0027248 k( 142) = ( 0.1525424 0.0880704 0.2491007), wk = 0.0027248 k( 143) = ( 0.1461864 0.0844008 0.2387215), wk = 0.0027248 k( 144) = ( 0.1398305 0.0807312 0.2283423), wk = 0.0027248 k( 145) = ( 0.1334746 0.0770616 0.2179631), wk = 0.0027248 k( 146) = ( 0.1271186 0.0733920 0.2075839), wk = 0.0027248 k( 147) = ( 0.1207627 0.0697224 0.1972047), wk = 0.0027248 k( 148) = ( 0.1144068 0.0660528 0.1868255), wk = 0.0027248 k( 149) = ( 0.1080509 0.0623832 0.1764463), wk = 0.0027248 k( 150) = ( 0.1016949 0.0587136 0.1660671), wk = 0.0027248 k( 151) = ( 0.0953390 0.0550440 0.1556879), wk = 0.0027248 k( 152) = ( 0.0889830 0.0513744 0.1453087), wk = 0.0027248 k( 153) = ( 0.0826271 0.0477048 0.1349295), wk = 0.0027248 k( 154) = ( 0.0762712 0.0440352 0.1245503), wk = 0.0027248 k( 155) = ( 0.0699152 0.0403656 0.1141711), wk = 0.0027248 k( 156) = ( 0.0635593 0.0366960 0.1037919), wk = 0.0027248 k( 157) = ( 0.0572034 0.0330264 0.0934127), wk = 0.0027248 k( 158) = ( 0.0508475 0.0293568 0.0830336), wk = 0.0027248 k( 159) = ( 0.0444915 0.0256872 0.0726544), wk = 0.0027248 k( 160) = ( 0.0381356 0.0220176 0.0622752), wk = 0.0027248 k( 161) = ( 0.0317797 0.0183480 0.0518960), wk = 0.0027248 k( 162) = ( 0.0254237 0.0146784 0.0415168), wk = 0.0027248 k( 163) = ( 0.0190678 0.0110088 0.0311376), wk = 0.0027248 k( 164) = ( 0.0127119 0.0073392 0.0207584), wk = 0.0027248 k( 165) = ( 0.0063559 0.0036696 0.0103792), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 168) = ( 0.0104167 0.0060141 0.0042526), wk = 0.0027248 k( 169) = ( 0.0208333 0.0120281 0.0085052), wk = 0.0027248 k( 170) = ( 0.0312500 0.0180422 0.0127578), wk = 0.0027248 k( 171) = ( 0.0416667 0.0240563 0.0170103), wk = 0.0027248 k( 172) = ( 0.0520833 0.0300703 0.0212629), wk = 0.0027248 k( 173) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0027248 k( 174) = ( 0.0729167 0.0420985 0.0297681), wk = 0.0027248 k( 175) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0027248 k( 176) = ( 0.0937500 0.0541266 0.0382733), wk = 0.0027248 k( 177) = ( 0.1041667 0.0601407 0.0425259), wk = 0.0027248 k( 178) = ( 0.1145833 0.0661547 0.0467784), wk = 0.0027248 k( 179) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0027248 k( 180) = ( 0.1354167 0.0781829 0.0552836), wk = 0.0027248 k( 181) = ( 0.1458333 0.0841969 0.0595362), wk = 0.0027248 k( 182) = ( 0.1562500 0.0902110 0.0637888), wk = 0.0027248 k( 183) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0027248 k( 184) = ( 0.1770833 0.1022391 0.0722940), wk = 0.0027248 k( 185) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0027248 k( 186) = ( 0.1979167 0.1142672 0.0807991), wk = 0.0027248 k( 187) = ( 0.2083333 0.1202813 0.0850517), wk = 0.0027248 k( 188) = ( 0.2187500 0.1262954 0.0893043), wk = 0.0027248 k( 189) = ( 0.2291667 0.1323094 0.0935569), wk = 0.0027248 k( 190) = ( 0.2395833 0.1383235 0.0978095), wk = 0.0027248 k( 191) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0027248 k( 192) = ( 0.2604167 0.1503516 0.1063147), wk = 0.0027248 k( 193) = ( 0.2708333 0.1563657 0.1105672), wk = 0.0027248 k( 194) = ( 0.2812500 0.1623798 0.1148198), wk = 0.0027248 k( 195) = ( 0.2916667 0.1683938 0.1190724), wk = 0.0027248 k( 196) = ( 0.3020833 0.1744079 0.1233250), wk = 0.0027248 k( 197) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0027248 k( 198) = ( 0.3229167 0.1864360 0.1318302), wk = 0.0027248 k( 199) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0027248 k( 200) = ( 0.3437500 0.1984642 0.1403353), wk = 0.0027248 k( 201) = ( 0.3541667 0.2044782 0.1445879), wk = 0.0027248 k( 202) = ( 0.3645833 0.2104923 0.1488405), wk = 0.0027248 k( 203) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0027248 k( 204) = ( 0.3854167 0.2225204 0.1573457), wk = 0.0027248 k( 205) = ( 0.3958333 0.2285345 0.1615983), wk = 0.0027248 k( 206) = ( 0.4062500 0.2345485 0.1658509), wk = 0.0027248 k( 207) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0027248 k( 208) = ( 0.4270833 0.2465767 0.1743560), wk = 0.0027248 k( 209) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0027248 k( 210) = ( 0.4479167 0.2586048 0.1828612), wk = 0.0027248 k( 211) = ( 0.4583333 0.2646189 0.1871138), wk = 0.0027248 k( 212) = ( 0.4687500 0.2706329 0.1913664), wk = 0.0027248 k( 213) = ( 0.4791667 0.2766470 0.1956190), wk = 0.0027248 k( 214) = ( 0.4895833 0.2826611 0.1998716), wk = 0.0027248 k( 215) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027248 k( 216) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027248 k( 217) = ( 0.5036765 0.2780621 0.2101278), wk = 0.0027248 k( 218) = ( 0.5073529 0.2674490 0.2161314), wk = 0.0027248 k( 219) = ( 0.5110294 0.2568360 0.2221351), wk = 0.0027248 k( 220) = ( 0.5147059 0.2462229 0.2281387), wk = 0.0027248 k( 221) = ( 0.5183823 0.2356098 0.2341424), wk = 0.0027248 k( 222) = ( 0.5220588 0.2249968 0.2401461), wk = 0.0027248 k( 223) = ( 0.5257353 0.2143837 0.2461497), wk = 0.0027248 k( 224) = ( 0.5294118 0.2037707 0.2521534), wk = 0.0027248 k( 225) = ( 0.5330882 0.1931576 0.2581570), wk = 0.0027248 k( 226) = ( 0.5367647 0.1825446 0.2641607), wk = 0.0027248 k( 227) = ( 0.5404412 0.1719315 0.2701643), wk = 0.0027248 k( 228) = ( 0.5441177 0.1613185 0.2761680), wk = 0.0027248 k( 229) = ( 0.5477941 0.1507054 0.2821716), wk = 0.0027248 k( 230) = ( 0.5514706 0.1400923 0.2881753), wk = 0.0027248 k( 231) = ( 0.5551471 0.1294793 0.2941789), wk = 0.0027248 k( 232) = ( 0.5588235 0.1188662 0.3001826), wk = 0.0027248 k( 233) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0027248 k( 234) = ( 0.5661765 0.0976401 0.3121899), wk = 0.0027248 k( 235) = ( 0.5698529 0.0870271 0.3181935), wk = 0.0027248 k( 236) = ( 0.5735294 0.0764140 0.3241972), wk = 0.0027248 k( 237) = ( 0.5772059 0.0658010 0.3302008), wk = 0.0027248 k( 238) = ( 0.5808823 0.0551879 0.3362045), wk = 0.0027248 k( 239) = ( 0.5845588 0.0445748 0.3422081), wk = 0.0027248 k( 240) = ( 0.5882353 0.0339618 0.3482118), wk = 0.0027248 k( 241) = ( 0.5919118 0.0233487 0.3542154), wk = 0.0027248 k( 242) = ( 0.5955882 0.0127357 0.3602191), wk = 0.0027248 k( 243) = ( 0.5992647 0.0021226 0.3662227), wk = 0.0027248 k( 244) = ( 0.6029412 -0.0084904 0.3722264), wk = 0.0027248 k( 245) = ( 0.6066177 -0.0191035 0.3782300), wk = 0.0027248 k( 246) = ( 0.6102941 -0.0297166 0.3842337), wk = 0.0027248 k( 247) = ( 0.6139706 -0.0403296 0.3902373), wk = 0.0027248 k( 248) = ( 0.6176471 -0.0509427 0.3962410), wk = 0.0027248 k( 249) = ( 0.6213235 -0.0615557 0.4022446), wk = 0.0027248 k( 250) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027248 k( 251) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027248 k( 252) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0027248 k( 253) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0027248 k( 254) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0027248 k( 255) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0027248 k( 256) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0027248 k( 257) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0027248 k( 258) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0027248 k( 259) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0027248 k( 260) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0027248 k( 261) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0027248 k( 262) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0027248 k( 263) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0027248 k( 264) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0027248 k( 265) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0027248 k( 266) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0027248 k( 267) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0027248 k( 268) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0027248 k( 269) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0027248 k( 270) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0027248 k( 271) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027248 k( 272) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027248 k( 273) = ( 0.5000000 0.0074019 0.6019045), wk = 0.0027248 k( 274) = ( 0.5000000 0.0148038 0.5914366), wk = 0.0027248 k( 275) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0027248 k( 276) = ( 0.5000000 0.0296077 0.5705008), wk = 0.0027248 k( 277) = ( 0.5000000 0.0370096 0.5600329), wk = 0.0027248 k( 278) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0027248 k( 279) = ( 0.5000000 0.0518135 0.5390971), wk = 0.0027248 k( 280) = ( 0.5000000 0.0592154 0.5286292), wk = 0.0027248 k( 281) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0027248 k( 282) = ( 0.5000000 0.0740193 0.5076934), wk = 0.0027248 k( 283) = ( 0.5000000 0.0814212 0.4972255), wk = 0.0027248 k( 284) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0027248 k( 285) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0027248 k( 286) = ( 0.5000000 0.1036270 0.4658218), wk = 0.0027248 k( 287) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0027248 k( 288) = ( 0.5000000 0.1184308 0.4448860), wk = 0.0027248 k( 289) = ( 0.5000000 0.1258328 0.4344181), wk = 0.0027248 k( 290) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0027248 k( 291) = ( 0.5000000 0.1406366 0.4134822), wk = 0.0027248 k( 292) = ( 0.5000000 0.1480385 0.4030143), wk = 0.0027248 k( 293) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0027248 k( 294) = ( 0.5000000 0.1628424 0.3820785), wk = 0.0027248 k( 295) = ( 0.5000000 0.1702443 0.3716106), wk = 0.0027248 k( 296) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0027248 k( 297) = ( 0.5000000 0.1850482 0.3506748), wk = 0.0027248 k( 298) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0027248 k( 299) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0027248 k( 300) = ( 0.5000000 0.2072539 0.3192711), wk = 0.0027248 k( 301) = ( 0.5000000 0.2146559 0.3088032), wk = 0.0027248 k( 302) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0027248 k( 303) = ( 0.5000000 0.2294597 0.2878674), wk = 0.0027248 k( 304) = ( 0.5000000 0.2368617 0.2773995), wk = 0.0027248 k( 305) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0027248 k( 306) = ( 0.5000000 0.2516655 0.2564637), wk = 0.0027248 k( 307) = ( 0.5000000 0.2590674 0.2459958), wk = 0.0027248 k( 308) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0027248 k( 309) = ( 0.5000000 0.2738713 0.2250600), wk = 0.0027248 k( 310) = ( 0.5000000 0.2812732 0.2145921), wk = 0.0027248 k( 311) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027248 k( 312) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027248 k( 313) = ( 0.4963235 0.2865525 0.2161314), wk = 0.0027248 k( 314) = ( 0.4926471 0.2844299 0.2281387), wk = 0.0027248 k( 315) = ( 0.4889706 0.2823073 0.2401460), wk = 0.0027248 k( 316) = ( 0.4852941 0.2801847 0.2521533), wk = 0.0027248 k( 317) = ( 0.4816177 0.2780621 0.2641607), wk = 0.0027248 k( 318) = ( 0.4779412 0.2759395 0.2761680), wk = 0.0027248 k( 319) = ( 0.4742647 0.2738169 0.2881753), wk = 0.0027248 k( 320) = ( 0.4705882 0.2716942 0.3001826), wk = 0.0027248 k( 321) = ( 0.4669118 0.2695716 0.3121899), wk = 0.0027248 k( 322) = ( 0.4632353 0.2674490 0.3241972), wk = 0.0027248 k( 323) = ( 0.4595588 0.2653264 0.3362045), wk = 0.0027248 k( 324) = ( 0.4558823 0.2632038 0.3482118), wk = 0.0027248 k( 325) = ( 0.4522059 0.2610812 0.3602191), wk = 0.0027248 k( 326) = ( 0.4485294 0.2589586 0.3722264), wk = 0.0027248 k( 327) = ( 0.4448529 0.2568360 0.3842337), wk = 0.0027248 k( 328) = ( 0.4411765 0.2547134 0.3962410), wk = 0.0027248 k( 329) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0027248 k( 330) = ( 0.4338235 0.2504681 0.4202556), wk = 0.0027248 k( 331) = ( 0.4301471 0.2483455 0.4322629), wk = 0.0027248 k( 332) = ( 0.4264706 0.2462229 0.4442702), wk = 0.0027248 k( 333) = ( 0.4227941 0.2441003 0.4562775), wk = 0.0027248 k( 334) = ( 0.4191177 0.2419777 0.4682848), wk = 0.0027248 k( 335) = ( 0.4154412 0.2398551 0.4802921), wk = 0.0027248 k( 336) = ( 0.4117647 0.2377325 0.4922994), wk = 0.0027248 k( 337) = ( 0.4080882 0.2356099 0.5043067), wk = 0.0027248 k( 338) = ( 0.4044118 0.2334872 0.5163140), wk = 0.0027248 k( 339) = ( 0.4007353 0.2313646 0.5283213), wk = 0.0027248 k( 340) = ( 0.3970588 0.2292420 0.5403286), wk = 0.0027248 k( 341) = ( 0.3933823 0.2271194 0.5523359), wk = 0.0027248 k( 342) = ( 0.3897059 0.2249968 0.5643432), wk = 0.0027248 k( 343) = ( 0.3860294 0.2228742 0.5763505), wk = 0.0027248 k( 344) = ( 0.3823529 0.2207516 0.5883578), wk = 0.0027248 k( 345) = ( 0.3786765 0.2186290 0.6003651), wk = 0.0027248 k( 346) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027248 k( 347) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027248 k( 348) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0027248 k( 349) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0027248 k( 350) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0027248 k( 351) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0027248 k( 352) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0027248 k( 353) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0027248 k( 354) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0027248 k( 355) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0027248 k( 356) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0027248 k( 357) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0027248 k( 358) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0027248 k( 359) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0027248 k( 360) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0027248 k( 361) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0027248 k( 362) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0027248 k( 363) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0027248 k( 364) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0027248 k( 365) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0027248 k( 366) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0027248 k( 367) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0090909 0.0000000 0.0090909), wk = 0.0027248 k( 3) = ( 0.0181818 0.0000000 0.0181818), wk = 0.0027248 k( 4) = ( 0.0272727 0.0000000 0.0272727), wk = 0.0027248 k( 5) = ( 0.0363636 0.0000000 0.0363636), wk = 0.0027248 k( 6) = ( 0.0454546 0.0000000 0.0454546), wk = 0.0027248 k( 7) = ( 0.0545455 0.0000000 0.0545455), wk = 0.0027248 k( 8) = ( 0.0636364 0.0000000 0.0636364), wk = 0.0027248 k( 9) = ( 0.0727273 0.0000000 0.0727273), wk = 0.0027248 k( 10) = ( 0.0818182 0.0000000 0.0818182), wk = 0.0027248 k( 11) = ( 0.0909091 0.0000000 0.0909091), wk = 0.0027248 k( 12) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0027248 k( 13) = ( 0.1090909 0.0000000 0.1090909), wk = 0.0027248 k( 14) = ( 0.1181818 0.0000000 0.1181818), wk = 0.0027248 k( 15) = ( 0.1272727 0.0000000 0.1272727), wk = 0.0027248 k( 16) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0027248 k( 17) = ( 0.1454545 0.0000000 0.1454545), wk = 0.0027248 k( 18) = ( 0.1545455 0.0000000 0.1545455), wk = 0.0027248 k( 19) = ( 0.1636364 0.0000000 0.1636364), wk = 0.0027248 k( 20) = ( 0.1727273 0.0000000 0.1727273), wk = 0.0027248 k( 21) = ( 0.1818182 0.0000000 0.1818182), wk = 0.0027248 k( 22) = ( 0.1909091 0.0000000 0.1909091), wk = 0.0027248 k( 23) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0027248 k( 24) = ( 0.2090909 0.0000000 0.2090909), wk = 0.0027248 k( 25) = ( 0.2181818 0.0000000 0.2181818), wk = 0.0027248 k( 26) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0027248 k( 27) = ( 0.2363636 0.0000000 0.2363636), wk = 0.0027248 k( 28) = ( 0.2454545 0.0000000 0.2454545), wk = 0.0027248 k( 29) = ( 0.2545455 0.0000000 0.2545455), wk = 0.0027248 k( 30) = ( 0.2636364 0.0000000 0.2636364), wk = 0.0027248 k( 31) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0027248 k( 32) = ( 0.2818182 0.0000000 0.2818182), wk = 0.0027248 k( 33) = ( 0.2909091 0.0000000 0.2909091), wk = 0.0027248 k( 34) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0027248 k( 35) = ( 0.3090909 0.0000000 0.3090909), wk = 0.0027248 k( 36) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0027248 k( 37) = ( 0.3272727 0.0000000 0.3272727), wk = 0.0027248 k( 38) = ( 0.3363636 0.0000000 0.3363636), wk = 0.0027248 k( 39) = ( 0.3454546 0.0000000 0.3454546), wk = 0.0027248 k( 40) = ( 0.3545454 0.0000000 0.3545454), wk = 0.0027248 k( 41) = ( 0.3636364 0.0000000 0.3636364), wk = 0.0027248 k( 42) = ( 0.3727273 0.0000000 0.3727273), wk = 0.0027248 k( 43) = ( 0.3818182 0.0000000 0.3818182), wk = 0.0027248 k( 44) = ( 0.3909091 0.0000000 0.3909091), wk = 0.0027248 k( 45) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0027248 k( 46) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0027248 k( 47) = ( 0.4181818 0.0000000 0.4181818), wk = 0.0027248 k( 48) = ( 0.4272727 0.0000000 0.4272727), wk = 0.0027248 k( 49) = ( 0.4363636 0.0000000 0.4363636), wk = 0.0027248 k( 50) = ( 0.4454546 0.0000000 0.4454546), wk = 0.0027248 k( 51) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0027248 k( 52) = ( 0.4636364 0.0000000 0.4636364), wk = 0.0027248 k( 53) = ( 0.4727273 0.0000000 0.4727273), wk = 0.0027248 k( 54) = ( 0.4818182 0.0000000 0.4818182), wk = 0.0027248 k( 55) = ( 0.4909091 0.0000000 0.4909091), wk = 0.0027248 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 k( 57) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 k( 58) = ( 0.5000000 0.0089286 0.5089286), wk = 0.0027248 k( 59) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0027248 k( 60) = ( 0.5000000 0.0267857 0.5267857), wk = 0.0027248 k( 61) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0027248 k( 62) = ( 0.5000000 0.0446429 0.5446429), wk = 0.0027248 k( 63) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0027248 k( 64) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0027248 k( 65) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0027248 k( 66) = ( 0.5000000 0.0803571 0.5803571), wk = 0.0027248 k( 67) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0027248 k( 68) = ( 0.5000000 0.0982143 0.5982143), wk = 0.0027248 k( 69) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0027248 k( 70) = ( 0.5000000 0.1160714 0.6160714), wk = 0.0027248 k( 71) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0027248 k( 72) = ( 0.5000000 0.1339286 0.6339286), wk = 0.0027248 k( 73) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0027248 k( 74) = ( 0.5000000 0.1517857 0.6517857), wk = 0.0027248 k( 75) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0027248 k( 76) = ( 0.5000000 0.1696429 0.6696429), wk = 0.0027248 k( 77) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0027248 k( 78) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0027248 k( 79) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0027248 k( 80) = ( 0.5000000 0.2053571 0.7053571), wk = 0.0027248 k( 81) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0027248 k( 82) = ( 0.5000000 0.2232143 0.7232143), wk = 0.0027248 k( 83) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0027248 k( 84) = ( 0.5000000 0.2410714 0.7410714), wk = 0.0027248 k( 85) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027248 k( 86) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027248 k( 87) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0027248 k( 88) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0027248 k( 89) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0027248 k( 90) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0027248 k( 91) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0027248 k( 92) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0027248 k( 93) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0027248 k( 94) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0027248 k( 95) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0027248 k( 96) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0027248 k( 97) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0027248 k( 98) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0027248 k( 99) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0027248 k( 100) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0027248 k( 101) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0027248 k( 102) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0027248 k( 103) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0027248 k( 104) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0027248 k( 105) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0027248 k( 106) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027248 k( 107) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027248 k( 108) = ( 0.3686441 0.3686441 0.7372881), wk = 0.0027248 k( 109) = ( 0.3622881 0.3622881 0.7245763), wk = 0.0027248 k( 110) = ( 0.3559322 0.3559322 0.7118644), wk = 0.0027248 k( 111) = ( 0.3495763 0.3495763 0.6991525), wk = 0.0027248 k( 112) = ( 0.3432203 0.3432203 0.6864407), wk = 0.0027248 k( 113) = ( 0.3368644 0.3368644 0.6737288), wk = 0.0027248 k( 114) = ( 0.3305085 0.3305085 0.6610170), wk = 0.0027248 k( 115) = ( 0.3241525 0.3241525 0.6483051), wk = 0.0027248 k( 116) = ( 0.3177966 0.3177966 0.6355932), wk = 0.0027248 k( 117) = ( 0.3114407 0.3114407 0.6228814), wk = 0.0027248 k( 118) = ( 0.3050848 0.3050848 0.6101695), wk = 0.0027248 k( 119) = ( 0.2987288 0.2987288 0.5974576), wk = 0.0027248 k( 120) = ( 0.2923729 0.2923729 0.5847458), wk = 0.0027248 k( 121) = ( 0.2860169 0.2860170 0.5720339), wk = 0.0027248 k( 122) = ( 0.2796610 0.2796610 0.5593220), wk = 0.0027248 k( 123) = ( 0.2733051 0.2733051 0.5466102), wk = 0.0027248 k( 124) = ( 0.2669492 0.2669492 0.5338983), wk = 0.0027248 k( 125) = ( 0.2605932 0.2605932 0.5211864), wk = 0.0027248 k( 126) = ( 0.2542373 0.2542373 0.5084746), wk = 0.0027248 k( 127) = ( 0.2478814 0.2478814 0.4957627), wk = 0.0027248 k( 128) = ( 0.2415254 0.2415254 0.4830508), wk = 0.0027248 k( 129) = ( 0.2351695 0.2351695 0.4703390), wk = 0.0027248 k( 130) = ( 0.2288136 0.2288136 0.4576271), wk = 0.0027248 k( 131) = ( 0.2224576 0.2224576 0.4449152), wk = 0.0027248 k( 132) = ( 0.2161017 0.2161017 0.4322034), wk = 0.0027248 k( 133) = ( 0.2097458 0.2097458 0.4194915), wk = 0.0027248 k( 134) = ( 0.2033898 0.2033898 0.4067797), wk = 0.0027248 k( 135) = ( 0.1970339 0.1970339 0.3940678), wk = 0.0027248 k( 136) = ( 0.1906780 0.1906780 0.3813559), wk = 0.0027248 k( 137) = ( 0.1843220 0.1843220 0.3686441), wk = 0.0027248 k( 138) = ( 0.1779661 0.1779661 0.3559322), wk = 0.0027248 k( 139) = ( 0.1716102 0.1716102 0.3432203), wk = 0.0027248 k( 140) = ( 0.1652542 0.1652542 0.3305085), wk = 0.0027248 k( 141) = ( 0.1588983 0.1588983 0.3177966), wk = 0.0027248 k( 142) = ( 0.1525424 0.1525424 0.3050848), wk = 0.0027248 k( 143) = ( 0.1461864 0.1461864 0.2923729), wk = 0.0027248 k( 144) = ( 0.1398305 0.1398305 0.2796610), wk = 0.0027248 k( 145) = ( 0.1334746 0.1334746 0.2669492), wk = 0.0027248 k( 146) = ( 0.1271186 0.1271186 0.2542373), wk = 0.0027248 k( 147) = ( 0.1207627 0.1207627 0.2415254), wk = 0.0027248 k( 148) = ( 0.1144068 0.1144068 0.2288136), wk = 0.0027248 k( 149) = ( 0.1080509 0.1080509 0.2161017), wk = 0.0027248 k( 150) = ( 0.1016949 0.1016949 0.2033898), wk = 0.0027248 k( 151) = ( 0.0953390 0.0953390 0.1906780), wk = 0.0027248 k( 152) = ( 0.0889830 0.0889831 0.1779661), wk = 0.0027248 k( 153) = ( 0.0826271 0.0826271 0.1652542), wk = 0.0027248 k( 154) = ( 0.0762712 0.0762712 0.1525424), wk = 0.0027248 k( 155) = ( 0.0699152 0.0699152 0.1398305), wk = 0.0027248 k( 156) = ( 0.0635593 0.0635593 0.1271186), wk = 0.0027248 k( 157) = ( 0.0572034 0.0572034 0.1144068), wk = 0.0027248 k( 158) = ( 0.0508475 0.0508475 0.1016949), wk = 0.0027248 k( 159) = ( 0.0444915 0.0444915 0.0889830), wk = 0.0027248 k( 160) = ( 0.0381356 0.0381356 0.0762712), wk = 0.0027248 k( 161) = ( 0.0317797 0.0317797 0.0635593), wk = 0.0027248 k( 162) = ( 0.0254237 0.0254237 0.0508475), wk = 0.0027248 k( 163) = ( 0.0190678 0.0190678 0.0381356), wk = 0.0027248 k( 164) = ( 0.0127119 0.0127119 0.0254237), wk = 0.0027248 k( 165) = ( 0.0063559 0.0063559 0.0127119), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 168) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0027248 k( 169) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0027248 k( 170) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0027248 k( 171) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0027248 k( 172) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0027248 k( 173) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027248 k( 174) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0027248 k( 175) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0027248 k( 176) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0027248 k( 177) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0027248 k( 178) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0027248 k( 179) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027248 k( 180) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0027248 k( 181) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0027248 k( 182) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0027248 k( 183) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027248 k( 184) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0027248 k( 185) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027248 k( 186) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0027248 k( 187) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0027248 k( 188) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0027248 k( 189) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0027248 k( 190) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0027248 k( 191) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 k( 192) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0027248 k( 193) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0027248 k( 194) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0027248 k( 195) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0027248 k( 196) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0027248 k( 197) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027248 k( 198) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0027248 k( 199) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027248 k( 200) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0027248 k( 201) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0027248 k( 202) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0027248 k( 203) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027248 k( 204) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0027248 k( 205) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0027248 k( 206) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0027248 k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0027248 k( 208) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0027248 k( 209) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027248 k( 210) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0027248 k( 211) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0027248 k( 212) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0027248 k( 213) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0027248 k( 214) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0027248 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 k( 217) = ( 0.5036765 0.4926471 0.5036765), wk = 0.0027248 k( 218) = ( 0.5073529 0.4852941 0.5073529), wk = 0.0027248 k( 219) = ( 0.5110294 0.4779412 0.5110294), wk = 0.0027248 k( 220) = ( 0.5147059 0.4705882 0.5147059), wk = 0.0027248 k( 221) = ( 0.5183823 0.4632353 0.5183823), wk = 0.0027248 k( 222) = ( 0.5220588 0.4558824 0.5220588), wk = 0.0027248 k( 223) = ( 0.5257353 0.4485294 0.5257353), wk = 0.0027248 k( 224) = ( 0.5294118 0.4411765 0.5294118), wk = 0.0027248 k( 225) = ( 0.5330882 0.4338235 0.5330882), wk = 0.0027248 k( 226) = ( 0.5367647 0.4264706 0.5367647), wk = 0.0027248 k( 227) = ( 0.5404412 0.4191177 0.5404412), wk = 0.0027248 k( 228) = ( 0.5441177 0.4117647 0.5441177), wk = 0.0027248 k( 229) = ( 0.5477941 0.4044118 0.5477941), wk = 0.0027248 k( 230) = ( 0.5514706 0.3970588 0.5514706), wk = 0.0027248 k( 231) = ( 0.5551471 0.3897059 0.5551471), wk = 0.0027248 k( 232) = ( 0.5588235 0.3823529 0.5588235), wk = 0.0027248 k( 233) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0027248 k( 234) = ( 0.5661765 0.3676471 0.5661765), wk = 0.0027248 k( 235) = ( 0.5698529 0.3602941 0.5698529), wk = 0.0027248 k( 236) = ( 0.5735294 0.3529412 0.5735294), wk = 0.0027248 k( 237) = ( 0.5772059 0.3455882 0.5772059), wk = 0.0027248 k( 238) = ( 0.5808823 0.3382353 0.5808823), wk = 0.0027248 k( 239) = ( 0.5845588 0.3308824 0.5845588), wk = 0.0027248 k( 240) = ( 0.5882353 0.3235294 0.5882353), wk = 0.0027248 k( 241) = ( 0.5919118 0.3161765 0.5919118), wk = 0.0027248 k( 242) = ( 0.5955882 0.3088235 0.5955882), wk = 0.0027248 k( 243) = ( 0.5992647 0.3014706 0.5992647), wk = 0.0027248 k( 244) = ( 0.6029412 0.2941177 0.6029412), wk = 0.0027248 k( 245) = ( 0.6066177 0.2867647 0.6066177), wk = 0.0027248 k( 246) = ( 0.6102941 0.2794118 0.6102941), wk = 0.0027248 k( 247) = ( 0.6139706 0.2720588 0.6139706), wk = 0.0027248 k( 248) = ( 0.6176471 0.2647059 0.6176471), wk = 0.0027248 k( 249) = ( 0.6213235 0.2573529 0.6213235), wk = 0.0027248 k( 250) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027248 k( 251) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027248 k( 252) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0027248 k( 253) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0027248 k( 254) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0027248 k( 255) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0027248 k( 256) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0027248 k( 257) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0027248 k( 258) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0027248 k( 259) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0027248 k( 260) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0027248 k( 261) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0027248 k( 262) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0027248 k( 263) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0027248 k( 264) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0027248 k( 265) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0027248 k( 266) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0027248 k( 267) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0027248 k( 268) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0027248 k( 269) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0027248 k( 270) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0027248 k( 271) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027248 k( 272) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027248 k( 273) = ( 0.5000000 0.2564103 0.7435897), wk = 0.0027248 k( 274) = ( 0.5000000 0.2628205 0.7371795), wk = 0.0027248 k( 275) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0027248 k( 276) = ( 0.5000000 0.2756410 0.7243590), wk = 0.0027248 k( 277) = ( 0.5000000 0.2820513 0.7179487), wk = 0.0027248 k( 278) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0027248 k( 279) = ( 0.5000000 0.2948718 0.7051282), wk = 0.0027248 k( 280) = ( 0.5000000 0.3012821 0.6987180), wk = 0.0027248 k( 281) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0027248 k( 282) = ( 0.5000000 0.3141026 0.6858974), wk = 0.0027248 k( 283) = ( 0.5000000 0.3205128 0.6794872), wk = 0.0027248 k( 284) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0027248 k( 285) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0027248 k( 286) = ( 0.5000000 0.3397436 0.6602564), wk = 0.0027248 k( 287) = ( 0.5000000 0.3461538 0.6538462), wk = 0.0027248 k( 288) = ( 0.5000000 0.3525641 0.6474359), wk = 0.0027248 k( 289) = ( 0.5000000 0.3589744 0.6410256), wk = 0.0027248 k( 290) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0027248 k( 291) = ( 0.5000000 0.3717949 0.6282051), wk = 0.0027248 k( 292) = ( 0.5000000 0.3782051 0.6217949), wk = 0.0027248 k( 293) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0027248 k( 294) = ( 0.5000000 0.3910256 0.6089744), wk = 0.0027248 k( 295) = ( 0.5000000 0.3974359 0.6025641), wk = 0.0027248 k( 296) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0027248 k( 297) = ( 0.5000000 0.4102564 0.5897436), wk = 0.0027248 k( 298) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0027248 k( 299) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0027248 k( 300) = ( 0.5000000 0.4294872 0.5705128), wk = 0.0027248 k( 301) = ( 0.5000000 0.4358974 0.5641026), wk = 0.0027248 k( 302) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0027248 k( 303) = ( 0.5000000 0.4487180 0.5512821), wk = 0.0027248 k( 304) = ( 0.5000000 0.4551282 0.5448718), wk = 0.0027248 k( 305) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0027248 k( 306) = ( 0.5000000 0.4679487 0.5320513), wk = 0.0027248 k( 307) = ( 0.5000000 0.4743590 0.5256410), wk = 0.0027248 k( 308) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0027248 k( 309) = ( 0.5000000 0.4871795 0.5128205), wk = 0.0027248 k( 310) = ( 0.5000000 0.4935897 0.5064103), wk = 0.0027248 k( 311) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 k( 312) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027248 k( 313) = ( 0.4963235 0.4963235 0.5073529), wk = 0.0027248 k( 314) = ( 0.4926471 0.4926471 0.5147059), wk = 0.0027248 k( 315) = ( 0.4889706 0.4889706 0.5220588), wk = 0.0027248 k( 316) = ( 0.4852941 0.4852941 0.5294118), wk = 0.0027248 k( 317) = ( 0.4816177 0.4816177 0.5367647), wk = 0.0027248 k( 318) = ( 0.4779412 0.4779412 0.5441177), wk = 0.0027248 k( 319) = ( 0.4742647 0.4742647 0.5514706), wk = 0.0027248 k( 320) = ( 0.4705882 0.4705882 0.5588235), wk = 0.0027248 k( 321) = ( 0.4669118 0.4669118 0.5661765), wk = 0.0027248 k( 322) = ( 0.4632353 0.4632353 0.5735294), wk = 0.0027248 k( 323) = ( 0.4595588 0.4595588 0.5808823), wk = 0.0027248 k( 324) = ( 0.4558823 0.4558824 0.5882353), wk = 0.0027248 k( 325) = ( 0.4522059 0.4522059 0.5955882), wk = 0.0027248 k( 326) = ( 0.4485294 0.4485294 0.6029412), wk = 0.0027248 k( 327) = ( 0.4448529 0.4448529 0.6102941), wk = 0.0027248 k( 328) = ( 0.4411765 0.4411765 0.6176471), wk = 0.0027248 k( 329) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0027248 k( 330) = ( 0.4338235 0.4338235 0.6323529), wk = 0.0027248 k( 331) = ( 0.4301471 0.4301471 0.6397059), wk = 0.0027248 k( 332) = ( 0.4264706 0.4264706 0.6470588), wk = 0.0027248 k( 333) = ( 0.4227941 0.4227941 0.6544118), wk = 0.0027248 k( 334) = ( 0.4191177 0.4191177 0.6617647), wk = 0.0027248 k( 335) = ( 0.4154412 0.4154412 0.6691177), wk = 0.0027248 k( 336) = ( 0.4117647 0.4117647 0.6764706), wk = 0.0027248 k( 337) = ( 0.4080882 0.4080882 0.6838235), wk = 0.0027248 k( 338) = ( 0.4044118 0.4044118 0.6911765), wk = 0.0027248 k( 339) = ( 0.4007353 0.4007353 0.6985294), wk = 0.0027248 k( 340) = ( 0.3970588 0.3970588 0.7058823), wk = 0.0027248 k( 341) = ( 0.3933823 0.3933823 0.7132353), wk = 0.0027248 k( 342) = ( 0.3897059 0.3897059 0.7205882), wk = 0.0027248 k( 343) = ( 0.3860294 0.3860294 0.7279412), wk = 0.0027248 k( 344) = ( 0.3823529 0.3823529 0.7352941), wk = 0.0027248 k( 345) = ( 0.3786765 0.3786765 0.7426471), wk = 0.0027248 k( 346) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027248 k( 347) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027248 k( 348) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0027248 k( 349) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0027248 k( 350) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0027248 k( 351) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0027248 k( 352) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0027248 k( 353) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0027248 k( 354) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0027248 k( 355) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0027248 k( 356) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0027248 k( 357) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0027248 k( 358) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0027248 k( 359) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0027248 k( 360) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0027248 k( 361) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0027248 k( 362) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0027248 k( 363) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0027248 k( 364) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0027248 k( 365) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0027248 k( 366) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0027248 k( 367) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 Dense grid: 24693 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 13107 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 102, 44) NL pseudopotentials 0.09 Mb ( 51, 116) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 687) G-vector shells 0.00 Mb ( 233) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 102, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.16 Mb ( 116, 2, 44) The potential is recalculated from file : ./ZnNi2Ge.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.9 secs Computing kpt #: 11 total cpu time spent up to now is 5.1 secs Computing kpt #: 12 total cpu time spent up to now is 5.4 secs Computing kpt #: 13 total cpu time spent up to now is 5.7 secs Computing kpt #: 14 total cpu time spent up to now is 5.9 secs Computing kpt #: 15 total cpu time spent up to now is 6.1 secs Computing kpt #: 16 total cpu time spent up to now is 6.4 secs Computing kpt #: 17 total cpu time spent up to now is 6.6 secs Computing kpt #: 18 total cpu time spent up to now is 6.9 secs Computing kpt #: 19 total cpu time spent up to now is 7.1 secs Computing kpt #: 20 total cpu time spent up to now is 7.4 secs Computing kpt #: 21 total cpu time spent up to now is 7.7 secs Computing kpt #: 22 total cpu time spent up to now is 8.3 secs Computing kpt #: 23 total cpu time spent up to now is 8.6 secs Computing kpt #: 24 total cpu time spent up to now is 8.9 secs Computing kpt #: 25 total cpu time spent up to now is 9.2 secs Computing kpt #: 26 total cpu time spent up to now is 9.4 secs Computing kpt #: 27 total cpu time spent up to now is 9.7 secs Computing kpt #: 28 total cpu time spent up to now is 10.0 secs Computing kpt #: 29 total cpu time spent up to now is 10.3 secs Computing kpt #: 30 total cpu time spent up to now is 10.5 secs Computing kpt #: 31 total cpu time spent up to now is 10.8 secs Computing kpt #: 32 total cpu time spent up to now is 11.1 secs Computing kpt #: 33 total cpu time spent up to now is 11.3 secs Computing kpt #: 34 total cpu time spent up to now is 11.6 secs Computing kpt #: 35 total cpu time spent up to now is 11.9 secs Computing kpt #: 36 total cpu time spent up to now is 12.1 secs Computing kpt #: 37 total cpu time spent up to now is 12.4 secs Computing kpt #: 38 total cpu time spent up to now is 12.7 secs Computing kpt #: 39 total cpu time spent up to now is 12.9 secs Computing kpt #: 40 total cpu time spent up to now is 13.2 secs Computing kpt #: 41 total cpu time spent up to now is 13.5 secs Computing kpt #: 42 total cpu time spent up to now is 13.7 secs Computing kpt #: 43 total cpu time spent up to now is 14.0 secs Computing kpt #: 44 total cpu time spent up to now is 14.3 secs Computing kpt #: 45 total cpu time spent up to now is 14.6 secs Computing kpt #: 46 total cpu time spent up to now is 14.9 secs Computing kpt #: 47 total cpu time spent up to now is 15.2 secs Computing kpt #: 48 total cpu time spent up to now is 15.6 secs Computing kpt #: 49 total cpu time spent up to now is 15.9 secs Computing kpt #: 50 total cpu time spent up to now is 16.3 secs Computing kpt #: 51 total cpu time spent up to now is 16.6 secs Computing kpt #: 52 total cpu time spent up to now is 16.9 secs Computing kpt #: 53 total cpu time spent up to now is 17.2 secs Computing kpt #: 54 total cpu time spent up to now is 17.5 secs Computing kpt #: 55 total cpu time spent up to now is 17.9 secs Computing kpt #: 56 total cpu time spent up to now is 18.2 secs Computing kpt #: 57 total cpu time spent up to now is 18.5 secs Computing kpt #: 58 total cpu time spent up to now is 18.8 secs Computing kpt #: 59 total cpu time spent up to now is 19.1 secs Computing kpt #: 60 total cpu time spent up to now is 19.4 secs Computing kpt #: 61 total cpu time spent up to now is 19.7 secs Computing kpt #: 62 total cpu time spent up to now is 19.9 secs Computing kpt #: 63 total cpu time spent up to now is 20.2 secs Computing kpt #: 64 total cpu time spent up to now is 20.4 secs Computing kpt #: 65 total cpu time spent up to now is 20.6 secs Computing kpt #: 66 total cpu time spent up to now is 20.8 secs Computing kpt #: 67 total cpu time spent up to now is 21.0 secs Computing kpt #: 68 total cpu time spent up to now is 21.2 secs Computing kpt #: 69 total cpu time spent up to now is 21.4 secs Computing kpt #: 70 total cpu time spent up to now is 21.6 secs Computing kpt #: 71 total cpu time spent up to now is 21.8 secs Computing kpt #: 72 total cpu time spent up to now is 21.9 secs Computing kpt #: 73 total cpu time spent up to now is 22.1 secs Computing kpt #: 74 total cpu time spent up to now is 22.3 secs Computing kpt #: 75 total cpu time spent up to now is 22.5 secs Computing kpt #: 76 total cpu time spent up to now is 22.7 secs Computing kpt #: 77 total cpu time spent up to now is 22.9 secs Computing kpt #: 78 total cpu time spent up to now is 23.1 secs Computing kpt #: 79 total cpu time spent up to now is 23.3 secs Computing kpt #: 80 total cpu time spent up to now is 23.5 secs Computing kpt #: 81 total cpu time spent up to now is 23.7 secs Computing kpt #: 82 total cpu time spent up to now is 23.8 secs Computing kpt #: 83 total cpu time spent up to now is 24.1 secs Computing kpt #: 84 total cpu time spent up to now is 24.3 secs Computing kpt #: 85 total cpu time spent up to now is 24.5 secs Computing kpt #: 86 total cpu time spent up to now is 24.8 secs Computing kpt #: 87 total cpu time spent up to now is 25.0 secs Computing kpt #: 88 total cpu time spent up to now is 25.2 secs Computing kpt #: 89 total cpu time spent up to now is 25.4 secs Computing kpt #: 90 total cpu time spent up to now is 25.6 secs Computing kpt #: 91 total cpu time spent up to now is 25.8 secs Computing kpt #: 92 total cpu time spent up to now is 26.0 secs Computing kpt #: 93 total cpu time spent up to now is 26.2 secs Computing kpt #: 94 total cpu time spent up to now is 26.4 secs Computing kpt #: 95 total cpu time spent up to now is 26.6 secs Computing kpt #: 96 total cpu time spent up to now is 26.7 secs Computing kpt #: 97 total cpu time spent up to now is 26.9 secs Computing kpt #: 98 total cpu time spent up to now is 27.1 secs Computing kpt #: 99 total cpu time spent up to now is 27.3 secs Computing kpt #: 100 total cpu time spent up to now is 27.5 secs Computing kpt #: 101 total cpu time spent up to now is 27.7 secs Computing kpt #: 102 total cpu time spent up to now is 28.0 secs Computing kpt #: 103 total cpu time spent up to now is 28.2 secs Computing kpt #: 104 total cpu time spent up to now is 28.4 secs Computing kpt #: 105 total cpu time spent up to now is 28.7 secs Computing kpt #: 106 total cpu time spent up to now is 29.0 secs Computing kpt #: 107 total cpu time spent up to now is 29.3 secs Computing kpt #: 108 total cpu time spent up to now is 29.7 secs Computing kpt #: 109 total cpu time spent up to now is 30.0 secs Computing kpt #: 110 total cpu time spent up to now is 30.3 secs Computing kpt #: 111 total cpu time spent up to now is 30.6 secs Computing kpt #: 112 total cpu time spent up to now is 30.8 secs Computing kpt #: 113 total cpu time spent up to now is 31.1 secs Computing kpt #: 114 total cpu time spent up to now is 31.4 secs Computing kpt #: 115 total cpu time spent up to now is 31.6 secs Computing kpt #: 116 total cpu time spent up to now is 31.8 secs Computing kpt #: 117 total cpu time spent up to now is 32.0 secs Computing kpt #: 118 total cpu time spent up to now is 32.2 secs Computing kpt #: 119 total cpu time spent up to now is 32.4 secs Computing kpt #: 120 total cpu time spent up to now is 32.6 secs Computing kpt #: 121 total cpu time spent up to now is 32.9 secs Computing kpt #: 122 total cpu time spent up to now is 33.1 secs Computing kpt #: 123 total cpu time spent up to now is 33.3 secs Computing kpt #: 124 total cpu time spent up to now is 33.5 secs Computing kpt #: 125 total cpu time spent up to now is 33.7 secs Computing kpt #: 126 total cpu time spent up to now is 33.9 secs Computing kpt #: 127 total cpu time spent up to now is 34.1 secs Computing kpt #: 128 total cpu time spent up to now is 34.3 secs Computing kpt #: 129 total cpu time spent up to now is 34.5 secs Computing kpt #: 130 total cpu time spent up to now is 34.7 secs Computing kpt #: 131 total cpu time spent up to now is 35.0 secs Computing kpt #: 132 total cpu time spent up to now is 35.2 secs Computing kpt #: 133 total cpu time spent up to now is 35.4 secs Computing kpt #: 134 total cpu time spent up to now is 35.6 secs Computing kpt #: 135 total cpu time spent up to now is 35.8 secs Computing kpt #: 136 total cpu time spent up to now is 36.0 secs Computing kpt #: 137 total cpu time spent up to now is 36.3 secs Computing kpt #: 138 total cpu time spent up to now is 36.5 secs Computing kpt #: 139 total cpu time spent up to now is 36.7 secs Computing kpt #: 140 total cpu time spent up to now is 37.0 secs Computing kpt #: 141 total cpu time spent up to now is 37.2 secs Computing kpt #: 142 total cpu time spent up to now is 37.5 secs Computing kpt #: 143 total cpu time spent up to now is 37.7 secs Computing kpt #: 144 total cpu time spent up to now is 38.0 secs Computing kpt #: 145 total cpu time spent up to now is 38.2 secs Computing kpt #: 146 total cpu time spent up to now is 38.5 secs Computing kpt #: 147 total cpu time spent up to now is 38.8 secs Computing kpt #: 148 total cpu time spent up to now is 39.0 secs Computing kpt #: 149 total cpu time spent up to now is 39.3 secs Computing kpt #: 150 total cpu time spent up to now is 39.5 secs Computing kpt #: 151 total cpu time spent up to now is 39.7 secs Computing kpt #: 152 total cpu time spent up to now is 40.0 secs Computing kpt #: 153 total cpu time spent up to now is 40.2 secs Computing kpt #: 154 total cpu time spent up to now is 40.5 secs Computing kpt #: 155 total cpu time spent up to now is 40.7 secs Computing kpt #: 156 total cpu time spent up to now is 41.0 secs Computing kpt #: 157 total cpu time spent up to now is 41.2 secs Computing kpt #: 158 total cpu time spent up to now is 41.5 secs Computing kpt #: 159 total cpu time spent up to now is 41.7 secs Computing kpt #: 160 total cpu time spent up to now is 42.0 secs Computing kpt #: 161 total cpu time spent up to now is 42.3 secs Computing kpt #: 162 total cpu time spent up to now is 42.5 secs Computing kpt #: 163 total cpu time spent up to now is 42.8 secs Computing kpt #: 164 total cpu time spent up to now is 43.1 secs Computing kpt #: 165 total cpu time spent up to now is 43.3 secs Computing kpt #: 166 total cpu time spent up to now is 43.5 secs Computing kpt #: 167 total cpu time spent up to now is 43.7 secs Computing kpt #: 168 total cpu time spent up to now is 44.0 secs Computing kpt #: 169 total cpu time spent up to now is 44.2 secs Computing kpt #: 170 total cpu time spent up to now is 44.5 secs Computing kpt #: 171 total cpu time spent up to now is 44.7 secs Computing kpt #: 172 total cpu time spent up to now is 45.0 secs Computing kpt #: 173 total cpu time spent up to now is 45.2 secs Computing kpt #: 174 total cpu time spent up to now is 45.5 secs Computing kpt #: 175 total cpu time spent up to now is 45.7 secs Computing kpt #: 176 total cpu time spent up to now is 46.0 secs Computing kpt #: 177 total cpu time spent up to now is 46.2 secs Computing kpt #: 178 total cpu time spent up to now is 46.5 secs Computing kpt #: 179 total cpu time spent up to now is 46.8 secs Computing kpt #: 180 total cpu time spent up to now is 47.0 secs Computing kpt #: 181 total cpu time spent up to now is 47.3 secs Computing kpt #: 182 total cpu time spent up to now is 47.5 secs Computing kpt #: 183 total cpu time spent up to now is 47.7 secs Computing kpt #: 184 total cpu time spent up to now is 48.0 secs Computing kpt #: 185 total cpu time spent up to now is 48.3 secs Computing kpt #: 186 total cpu time spent up to now is 48.5 secs Computing kpt #: 187 total cpu time spent up to now is 48.7 secs Computing kpt #: 188 total cpu time spent up to now is 49.0 secs Computing kpt #: 189 total cpu time spent up to now is 49.2 secs Computing kpt #: 190 total cpu time spent up to now is 49.4 secs Computing kpt #: 191 total cpu time spent up to now is 49.6 secs Computing kpt #: 192 total cpu time spent up to now is 49.9 secs Computing kpt #: 193 total cpu time spent up to now is 50.1 secs Computing kpt #: 194 total cpu time spent up to now is 50.3 secs Computing kpt #: 195 total cpu time spent up to now is 50.5 secs Computing kpt #: 196 total cpu time spent up to now is 50.7 secs Computing kpt #: 197 total cpu time spent up to now is 50.9 secs Computing kpt #: 198 total cpu time spent up to now is 51.1 secs Computing kpt #: 199 total cpu time spent up to now is 51.3 secs Computing kpt #: 200 total cpu time spent up to now is 51.6 secs Computing kpt #: 201 total cpu time spent up to now is 51.8 secs Computing kpt #: 202 total cpu time spent up to now is 52.0 secs Computing kpt #: 203 total cpu time spent up to now is 52.2 secs Computing kpt #: 204 total cpu time spent up to now is 52.4 secs Computing kpt #: 205 total cpu time spent up to now is 52.6 secs Computing kpt #: 206 total cpu time spent up to now is 52.8 secs Computing kpt #: 207 total cpu time spent up to now is 53.0 secs Computing kpt #: 208 total cpu time spent up to now is 53.2 secs Computing kpt #: 209 total cpu time spent up to now is 53.4 secs Computing kpt #: 210 total cpu time spent up to now is 53.6 secs Computing kpt #: 211 total cpu time spent up to now is 53.8 secs Computing kpt #: 212 total cpu time spent up to now is 54.0 secs Computing kpt #: 213 total cpu time spent up to now is 54.2 secs Computing kpt #: 214 total cpu time spent up to now is 54.4 secs Computing kpt #: 215 total cpu time spent up to now is 54.6 secs Computing kpt #: 216 total cpu time spent up to now is 54.8 secs Computing kpt #: 217 total cpu time spent up to now is 54.9 secs Computing kpt #: 218 total cpu time spent up to now is 55.1 secs Computing kpt #: 219 total cpu time spent up to now is 55.4 secs Computing kpt #: 220 total cpu time spent up to now is 55.6 secs Computing kpt #: 221 total cpu time spent up to now is 55.8 secs Computing kpt #: 222 total cpu time spent up to now is 56.0 secs Computing kpt #: 223 total cpu time spent up to now is 56.2 secs Computing kpt #: 224 total cpu time spent up to now is 56.4 secs Computing kpt #: 225 total cpu time spent up to now is 56.6 secs Computing kpt #: 226 total cpu time spent up to now is 56.8 secs Computing kpt #: 227 total cpu time spent up to now is 57.0 secs Computing kpt #: 228 total cpu time spent up to now is 57.2 secs Computing kpt #: 229 total cpu time spent up to now is 57.4 secs Computing kpt #: 230 total cpu time spent up to now is 57.6 secs Computing kpt #: 231 total cpu time spent up to now is 57.8 secs Computing kpt #: 232 total cpu time spent up to now is 58.0 secs Computing kpt #: 233 total cpu time spent up to now is 58.2 secs Computing kpt #: 234 total cpu time spent up to now is 58.4 secs Computing kpt #: 235 total cpu time spent up to now is 58.6 secs Computing kpt #: 236 total cpu time spent up to now is 58.8 secs Computing kpt #: 237 total cpu time spent up to now is 59.0 secs Computing kpt #: 238 total cpu time spent up to now is 59.2 secs Computing kpt #: 239 total cpu time spent up to now is 59.4 secs Computing kpt #: 240 total cpu time spent up to now is 59.6 secs Computing kpt #: 241 total cpu time spent up to now is 59.9 secs Computing kpt #: 242 total cpu time spent up to now is 60.2 secs Computing kpt #: 243 total cpu time spent up to now is 60.4 secs Computing kpt #: 244 total cpu time spent up to now is 60.7 secs Computing kpt #: 245 total cpu time spent up to now is 61.0 secs Computing kpt #: 246 total cpu time spent up to now is 61.3 secs Computing kpt #: 247 total cpu time spent up to now is 61.6 secs Computing kpt #: 248 total cpu time spent up to now is 61.9 secs Computing kpt #: 249 total cpu time spent up to now is 62.2 secs Computing kpt #: 250 total cpu time spent up to now is 62.5 secs Computing kpt #: 251 total cpu time spent up to now is 62.8 secs Computing kpt #: 252 total cpu time spent up to now is 63.1 secs Computing kpt #: 253 total cpu time spent up to now is 63.4 secs Computing kpt #: 254 total cpu time spent up to now is 63.6 secs Computing kpt #: 255 total cpu time spent up to now is 63.8 secs Computing kpt #: 256 total cpu time spent up to now is 64.0 secs Computing kpt #: 257 total cpu time spent up to now is 64.2 secs Computing kpt #: 258 total cpu time spent up to now is 64.4 secs Computing kpt #: 259 total cpu time spent up to now is 64.6 secs Computing kpt #: 260 total cpu time spent up to now is 64.8 secs Computing kpt #: 261 total cpu time spent up to now is 65.0 secs Computing kpt #: 262 total cpu time spent up to now is 65.2 secs Computing kpt #: 263 total cpu time spent up to now is 65.4 secs Computing kpt #: 264 total cpu time spent up to now is 65.6 secs Computing kpt #: 265 total cpu time spent up to now is 65.8 secs Computing kpt #: 266 total cpu time spent up to now is 66.0 secs Computing kpt #: 267 total cpu time spent up to now is 66.2 secs Computing kpt #: 268 total cpu time spent up to now is 66.4 secs Computing kpt #: 269 total cpu time spent up to now is 66.6 secs Computing kpt #: 270 total cpu time spent up to now is 66.8 secs Computing kpt #: 271 total cpu time spent up to now is 67.1 secs Computing kpt #: 272 total cpu time spent up to now is 67.3 secs Computing kpt #: 273 total cpu time spent up to now is 67.6 secs Computing kpt #: 274 total cpu time spent up to now is 67.8 secs Computing kpt #: 275 total cpu time spent up to now is 68.1 secs Computing kpt #: 276 total cpu time spent up to now is 68.3 secs Computing kpt #: 277 total cpu time spent up to now is 68.6 secs Computing kpt #: 278 total cpu time spent up to now is 68.8 secs Computing kpt #: 279 total cpu time spent up to now is 69.1 secs Computing kpt #: 280 total cpu time spent up to now is 69.4 secs Computing kpt #: 281 total cpu time spent up to now is 69.6 secs Computing kpt #: 282 total cpu time spent up to now is 69.9 secs Computing kpt #: 283 total cpu time spent up to now is 70.2 secs Computing kpt #: 284 total cpu time spent up to now is 70.4 secs Computing kpt #: 285 total cpu time spent up to now is 70.7 secs Computing kpt #: 286 total cpu time spent up to now is 71.0 secs Computing kpt #: 287 total cpu time spent up to now is 71.2 secs Computing kpt #: 288 total cpu time spent up to now is 71.5 secs Computing kpt #: 289 total cpu time spent up to now is 71.7 secs Computing kpt #: 290 total cpu time spent up to now is 71.9 secs Computing kpt #: 291 total cpu time spent up to now is 72.2 secs Computing kpt #: 292 total cpu time spent up to now is 72.4 secs Computing kpt #: 293 total cpu time spent up to now is 72.6 secs Computing kpt #: 294 total cpu time spent up to now is 72.8 secs Computing kpt #: 295 total cpu time spent up to now is 73.0 secs Computing kpt #: 296 total cpu time spent up to now is 73.2 secs Computing kpt #: 297 total cpu time spent up to now is 73.4 secs Computing kpt #: 298 total cpu time spent up to now is 73.6 secs Computing kpt #: 299 total cpu time spent up to now is 73.8 secs Computing kpt #: 300 total cpu time spent up to now is 74.0 secs Computing kpt #: 301 total cpu time spent up to now is 74.2 secs Computing kpt #: 302 total cpu time spent up to now is 74.4 secs Computing kpt #: 303 total cpu time spent up to now is 74.5 secs Computing kpt #: 304 total cpu time spent up to now is 74.7 secs Computing kpt #: 305 total cpu time spent up to now is 74.9 secs Computing kpt #: 306 total cpu time spent up to now is 75.1 secs Computing kpt #: 307 total cpu time spent up to now is 75.3 secs Computing kpt #: 308 total cpu time spent up to now is 75.5 secs Computing kpt #: 309 total cpu time spent up to now is 75.7 secs Computing kpt #: 310 total cpu time spent up to now is 75.9 secs Computing kpt #: 311 total cpu time spent up to now is 76.1 secs Computing kpt #: 312 total cpu time spent up to now is 76.3 secs Computing kpt #: 313 total cpu time spent up to now is 76.5 secs Computing kpt #: 314 total cpu time spent up to now is 76.7 secs Computing kpt #: 315 total cpu time spent up to now is 76.9 secs Computing kpt #: 316 total cpu time spent up to now is 77.1 secs Computing kpt #: 317 total cpu time spent up to now is 77.3 secs Computing kpt #: 318 total cpu time spent up to now is 77.5 secs Computing kpt #: 319 total cpu time spent up to now is 77.7 secs Computing kpt #: 320 total cpu time spent up to now is 77.9 secs Computing kpt #: 321 total cpu time spent up to now is 78.1 secs Computing kpt #: 322 total cpu time spent up to now is 78.3 secs Computing kpt #: 323 total cpu time spent up to now is 78.5 secs Computing kpt #: 324 total cpu time spent up to now is 78.7 secs Computing kpt #: 325 total cpu time spent up to now is 78.9 secs Computing kpt #: 326 total cpu time spent up to now is 79.1 secs Computing kpt #: 327 total cpu time spent up to now is 79.3 secs Computing kpt #: 328 total cpu time spent up to now is 79.5 secs Computing kpt #: 329 total cpu time spent up to now is 79.7 secs Computing kpt #: 330 total cpu time spent up to now is 79.9 secs Computing kpt #: 331 total cpu time spent up to now is 80.1 secs Computing kpt #: 332 total cpu time spent up to now is 80.3 secs Computing kpt #: 333 total cpu time spent up to now is 80.5 secs Computing kpt #: 334 total cpu time spent up to now is 80.8 secs Computing kpt #: 335 total cpu time spent up to now is 81.0 secs Computing kpt #: 336 total cpu time spent up to now is 81.2 secs Computing kpt #: 337 total cpu time spent up to now is 81.5 secs Computing kpt #: 338 total cpu time spent up to now is 81.8 secs Computing kpt #: 339 total cpu time spent up to now is 82.0 secs Computing kpt #: 340 total cpu time spent up to now is 82.3 secs Computing kpt #: 341 total cpu time spent up to now is 82.6 secs Computing kpt #: 342 total cpu time spent up to now is 82.9 secs Computing kpt #: 343 total cpu time spent up to now is 83.3 secs Computing kpt #: 344 total cpu time spent up to now is 83.6 secs Computing kpt #: 345 total cpu time spent up to now is 83.9 secs Computing kpt #: 346 total cpu time spent up to now is 84.2 secs Computing kpt #: 347 total cpu time spent up to now is 84.5 secs Computing kpt #: 348 total cpu time spent up to now is 84.9 secs Computing kpt #: 349 total cpu time spent up to now is 85.2 secs Computing kpt #: 350 total cpu time spent up to now is 85.5 secs Computing kpt #: 351 total cpu time spent up to now is 85.8 secs Computing kpt #: 352 total cpu time spent up to now is 86.1 secs Computing kpt #: 353 total cpu time spent up to now is 86.4 secs Computing kpt #: 354 total cpu time spent up to now is 86.7 secs Computing kpt #: 355 total cpu time spent up to now is 87.1 secs Computing kpt #: 356 total cpu time spent up to now is 87.4 secs Computing kpt #: 357 total cpu time spent up to now is 87.7 secs Computing kpt #: 358 total cpu time spent up to now is 88.0 secs Computing kpt #: 359 total cpu time spent up to now is 88.3 secs Computing kpt #: 360 total cpu time spent up to now is 88.7 secs Computing kpt #: 361 total cpu time spent up to now is 89.2 secs Computing kpt #: 362 total cpu time spent up to now is 89.6 secs Computing kpt #: 363 total cpu time spent up to now is 89.9 secs Computing kpt #: 364 total cpu time spent up to now is 90.3 secs Computing kpt #: 365 total cpu time spent up to now is 90.7 secs Computing kpt #: 366 total cpu time spent up to now is 91.0 secs Computing kpt #: 367 total cpu time spent up to now is 91.2 secs ethr = 2.78E-08, avg # of iterations = 19.5 total cpu time spent up to now is 91.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1639 PWs) bands (ev): 0.9021 0.9021 5.9295 5.9295 5.9295 5.9295 6.2431 6.2431 6.2719 6.2719 6.2719 6.2719 9.2300 9.2300 9.2509 9.2509 9.2509 9.2509 10.9176 10.9176 10.9176 10.9176 12.3145 12.3145 12.3145 12.3145 12.4497 12.4497 12.8434 12.8434 12.8434 12.8434 13.8564 13.8564 16.7086 16.7086 16.8707 16.8707 16.8707 16.8707 17.2741 17.2741 17.4067 17.4067 k = 0.0091-0.0052 0.0074 ( 1639 PWs) bands (ev): 0.9035 0.9035 5.9294 5.9294 5.9295 5.9295 6.2431 6.2431 6.2717 6.2717 6.2720 6.2720 9.2294 9.2294 9.2495 9.2495 9.2513 9.2513 10.9175 10.9175 10.9177 10.9177 12.3135 12.3135 12.3141 12.3141 12.4490 12.4490 12.8417 12.8417 12.8434 12.8434 13.8586 13.8586 16.6950 16.6950 16.8376 16.8376 16.8621 16.8621 17.2935 17.2935 17.4154 17.4154 k = 0.0182-0.0105 0.0148 ( 1639 PWs) bands (ev): 0.9079 0.9079 5.9292 5.9292 5.9295 5.9295 6.2431 6.2431 6.2710 6.2710 6.2722 6.2722 9.2264 9.2264 9.2465 9.2465 9.2525 9.2525 10.9170 10.9170 10.9179 10.9179 12.3106 12.3106 12.3131 12.3131 12.4469 12.4469 12.8364 12.8364 12.8432 12.8432 13.8654 13.8654 16.6519 16.6519 16.7570 16.7570 16.8459 16.8459 17.3196 17.3196 17.4555 17.4555 k = 0.0273-0.0157 0.0223 ( 1639 PWs) bands (ev): 0.9151 0.9151 5.9289 5.9289 5.9295 5.9295 6.2431 6.2431 6.2698 6.2698 6.2726 6.2726 9.2183 9.2183 9.2448 9.2448 9.2545 9.2545 10.9161 10.9161 10.9182 10.9182 12.3058 12.3058 12.3113 12.3113 12.4435 12.4435 12.8278 12.8278 12.8430 12.8430 13.8764 13.8764 16.5801 16.5801 16.6534 16.6534 16.8335 16.8335 17.3218 17.3218 17.5330 17.5330 k = 0.0364-0.0210 0.0297 ( 1639 PWs) bands (ev): 0.9253 0.9253 5.9284 5.9284 5.9295 5.9295 6.2431 6.2431 6.2681 6.2681 6.2731 6.2731 9.2040 9.2040 9.2457 9.2457 9.2573 9.2573 10.9148 10.9148 10.9186 10.9186 12.2992 12.2992 12.3086 12.3086 12.4388 12.4388 12.8157 12.8157 12.8427 12.8427 13.8915 13.8915 16.4879 16.4879 16.5390 16.5390 16.8260 16.8260 17.3086 17.3086 17.6281 17.6281 k = 0.0455-0.0262 0.0371 ( 1639 PWs) bands (ev): 0.9383 0.9383 5.9277 5.9277 5.9295 5.9295 6.2432 6.2432 6.2660 6.2660 6.2738 6.2738 9.1845 9.1845 9.2483 9.2483 9.2609 9.2609 10.9130 10.9130 10.9192 10.9192 12.2907 12.2907 12.3051 12.3051 12.4331 12.4331 12.8004 12.8004 12.8424 12.8424 13.9102 13.9102 16.3834 16.3834 16.4188 16.4188 16.8203 16.8203 17.2873 17.2873 17.7195 17.7195 k = 0.0545-0.0315 0.0445 ( 1639 PWs) bands (ev): 0.9543 0.9543 5.9269 5.9269 5.9295 5.9295 6.2432 6.2432 6.2634 6.2634 6.2746 6.2746 9.1606 9.1606 9.2521 9.2521 9.2653 9.2653 10.9108 10.9108 10.9199 10.9199 12.2804 12.2804 12.3005 12.3005 12.4263 12.4263 12.7819 12.7819 12.8420 12.8420 13.9321 13.9321 16.2715 16.2715 16.2953 16.2953 16.8140 16.8140 17.2604 17.2604 17.8086 17.8086 k = 0.0636-0.0367 0.0520 ( 1643 PWs) bands (ev): 0.9730 0.9730 5.9258 5.9258 5.9295 5.9295 6.2431 6.2431 6.2604 6.2604 6.2756 6.2756 9.1329 9.1329 9.2569 9.2569 9.2705 9.2705 10.9078 10.9078 10.9207 10.9207 12.2683 12.2683 12.2945 12.2945 12.4187 12.4187 12.7603 12.7603 12.8415 12.8415 13.9566 13.9566 16.1548 16.1548 16.1699 16.1699 16.8047 16.8047 17.2295 17.2295 17.8986 17.8986 k = 0.0727-0.0420 0.0594 ( 1627 PWs) bands (ev): 0.9947 0.9947 5.9247 5.9247 5.9295 5.9295 6.2431 6.2431 6.2571 6.2571 6.2769 6.2769 9.1019 9.1019 9.2626 9.2626 9.2766 9.2766 10.9042 10.9042 10.9217 10.9217 12.2551 12.2551 12.2875 12.2875 12.4108 12.4108 12.7366 12.7366 12.8409 12.8409 13.9832 13.9832 16.0352 16.0352 16.0434 16.0434 16.7904 16.7904 17.1953 17.1953 17.9888 17.9888 k = 0.0818-0.0472 0.0668 ( 1639 PWs) bands (ev): 1.0192 1.0192 5.9232 5.9232 5.9294 5.9294 6.2430 6.2430 6.2532 6.2532 6.2783 6.2783 9.0680 9.0680 9.2691 9.2691 9.2834 9.2834 10.8997 10.8997 10.9226 10.9226 12.2396 12.2396 12.2784 12.2784 12.4019 12.4019 12.7096 12.7096 12.8404 12.8404 14.0112 14.0112 15.9136 15.9136 15.9162 15.9162 16.7688 16.7688 17.1587 17.1587 18.0792 18.0792 k = 0.0909-0.0525 0.0742 ( 1627 PWs) bands (ev): 1.0465 1.0465 5.9215 5.9215 5.9293 5.9293 6.2430 6.2430 6.2491 6.2491 6.2800 6.2800 9.0316 9.0316 9.2767 9.2767 9.2912 9.2912 10.8942 10.8942 10.9237 10.9237 12.2231 12.2231 12.2679 12.2679 12.3931 12.3931 12.6806 12.6806 12.8398 12.8398 14.0399 14.0399 15.7890 15.7890 15.7910 15.7910 16.7377 16.7377 17.1204 17.1204 18.1698 18.1698 k = 0.1000-0.0577 0.0816 ( 1627 PWs) bands (ev): 1.0766 1.0766 5.9194 5.9194 5.9292 5.9292 6.2429 6.2429 6.2445 6.2445 6.2818 6.2818 8.9930 8.9930 9.2847 9.2847 9.2995 9.2995 10.8875 10.8875 10.9249 10.9249 12.2053 12.2053 12.2557 12.2557 12.3838 12.3838 12.6494 12.6494 12.8391 12.8391 14.0685 14.0685 15.6618 15.6618 15.6677 15.6677 16.6949 16.6949 17.0808 17.0808 18.2609 18.2609 k = 0.1091-0.0630 0.0891 ( 1627 PWs) bands (ev): 1.1095 1.1095 5.9170 5.9170 5.9290 5.9290 6.2397 6.2397 6.2427 6.2427 6.2839 6.2839 8.9528 8.9528 9.2935 9.2935 9.3086 9.3086 10.8794 10.8794 10.9263 10.9263 12.1862 12.1862 12.2416 12.2416 12.3739 12.3739 12.6168 12.6168 12.8384 12.8384 14.0963 14.0963 15.5351 15.5351 15.5443 15.5443 16.6389 16.6389 17.0405 17.0405 18.3528 18.3528 k = 0.1182-0.0682 0.0965 ( 1623 PWs) bands (ev): 1.1452 1.1452 5.9142 5.9142 5.9287 5.9287 6.2346 6.2346 6.2426 6.2426 6.2862 6.2862 8.9112 8.9112 9.3032 9.3032 9.3186 9.3186 10.8698 10.8698 10.9278 10.9278 12.1660 12.1660 12.2259 12.2259 12.3629 12.3629 12.5834 12.5834 12.8378 12.8378 14.1225 14.1225 15.4090 15.4090 15.4210 15.4210 16.5692 16.5692 17.0000 17.0000 18.4458 18.4458 k = 0.1273-0.0735 0.1039 ( 1623 PWs) bands (ev): 1.1836 1.1836 5.9110 5.9110 5.9284 5.9284 6.2293 6.2293 6.2425 6.2425 6.2886 6.2886 8.8687 8.8687 9.3134 9.3134 9.3292 9.3292 10.8584 10.8584 10.9293 10.9293 12.1449 12.1449 12.2085 12.2085 12.3499 12.3499 12.5505 12.5505 12.8370 12.8370 14.1464 14.1464 15.2837 15.2837 15.2983 15.2983 16.4863 16.4863 16.9596 16.9596 18.5402 18.5402 k = 0.1364-0.0787 0.1113 ( 1615 PWs) bands (ev): 1.2247 1.2247 5.9073 5.9073 5.9280 5.9280 6.2239 6.2239 6.2424 6.2424 6.2914 6.2914 8.8255 8.8255 9.3244 9.3244 9.3405 9.3405 10.8450 10.8450 10.9312 10.9312 12.1229 12.1229 12.1899 12.1899 12.3340 12.3340 12.5193 12.5193 12.8362 12.8362 14.1670 14.1670 15.1593 15.1593 15.1763 15.1763 16.3917 16.3917 16.9197 16.9197 18.6361 18.6361 k = 0.1455-0.0840 0.1188 ( 1623 PWs) bands (ev): 1.2684 1.2684 5.9031 5.9031 5.9274 5.9274 6.2184 6.2184 6.2422 6.2422 6.2942 6.2942 8.7820 8.7820 9.3359 9.3359 9.3524 9.3524 10.8291 10.8291 10.9330 10.9330 12.1001 12.1001 12.1698 12.1698 12.3134 12.3134 12.4913 12.4913 12.8353 12.8353 14.1834 14.1834 15.0361 15.0361 15.0551 15.0551 16.2881 16.2881 16.8804 16.8804 18.7339 18.7339 k = 0.1545-0.0892 0.1262 ( 1623 PWs) bands (ev): 1.3148 1.3148 5.8982 5.8982 5.9268 5.9268 6.2129 6.2129 6.2421 6.2421 6.2972 6.2972 8.7386 8.7386 9.3484 9.3484 9.3653 9.3653 10.8103 10.8103 10.9347 10.9347 12.0763 12.0763 12.1484 12.1484 12.2871 12.2871 12.4679 12.4679 12.8345 12.8345 14.1949 14.1949 14.9141 14.9141 14.9351 14.9351 16.1785 16.1785 16.8421 16.8421 18.8332 18.8332 k = 0.1636-0.0945 0.1336 ( 1623 PWs) bands (ev): 1.3637 1.3637 5.8929 5.8929 5.9260 5.9260 6.2074 6.2074 6.2421 6.2421 6.3003 6.3003 8.6953 8.6953 9.3615 9.3615 9.3788 9.3788 10.7886 10.7886 10.9366 10.9366 12.0523 12.0523 12.1264 12.1264 12.2548 12.2548 12.4496 12.4496 12.8336 12.8336 14.2002 14.2002 14.7935 14.7935 14.8163 14.8163 16.0663 16.0663 16.8049 16.8049 18.9334 18.9334 k = 0.1727-0.0997 0.1410 ( 1623 PWs) bands (ev): 1.4152 1.4152 5.8869 5.8869 5.9250 5.9250 6.2021 6.2021 6.2421 6.2421 6.3037 6.3037 8.6524 8.6524 9.3752 9.3752 9.3929 9.3929 10.7636 10.7636 10.9386 10.9386 12.0277 12.0277 12.1036 12.1036 12.2171 12.2171 12.4358 12.4358 12.8326 12.8326 14.1984 14.1984 14.6743 14.6743 14.6989 14.6989 15.9547 15.9547 16.7688 16.7688 19.0320 19.0320 k = 0.1818-0.1050 0.1485 ( 1631 PWs) bands (ev): 1.4692 1.4692 5.8802 5.8802 5.9239 5.9239 6.1970 6.1970 6.2421 6.2421 6.3071 6.3071 8.6101 8.6101 9.3894 9.3894 9.4076 9.4076 10.7347 10.7347 10.9406 10.9406 12.0029 12.0029 12.0802 12.0802 12.1753 12.1753 12.4255 12.4255 12.8314 12.8314 14.1884 14.1884 14.5565 14.5565 14.5830 14.5830 15.8470 15.8470 16.7340 16.7340 19.1310 19.1310 k = 0.1909-0.1102 0.1559 ( 1627 PWs) bands (ev): 1.5256 1.5256 5.8730 5.8730 5.9227 5.9227 6.1922 6.1922 6.2423 6.2423 6.3107 6.3107 8.5687 8.5687 9.4044 9.4044 9.4232 9.4232 10.7016 10.7016 10.9428 10.9428 11.9780 11.9780 12.0566 12.0566 12.1305 12.1305 12.4177 12.4177 12.8304 12.8304 14.1694 14.1694 14.4404 14.4404 14.4690 14.4690 15.7458 15.7458 16.7006 16.7006 19.2360 19.2360 k = 0.2000-0.1155 0.1633 ( 1627 PWs) bands (ev): 1.5843 1.5843 5.8651 5.8651 5.9213 5.9213 6.1878 6.1878 6.2425 6.2425 6.3144 6.3144 8.5282 8.5282 9.4200 9.4200 9.4393 9.4393 10.6637 10.6637 10.9450 10.9450 11.9528 11.9528 12.0324 12.0324 12.0836 12.0836 12.4117 12.4117 12.8294 12.8294 14.1405 14.1405 14.3259 14.3259 14.3570 14.3570 15.6536 15.6536 16.6685 16.6685 19.3477 19.3477 k = 0.2091-0.1207 0.1707 ( 1627 PWs) bands (ev): 1.6454 1.6454 5.8567 5.8567 5.9198 5.9198 6.1837 6.1837 6.2428 6.2428 6.3183 6.3183 8.4887 8.4887 9.4362 9.4362 9.4562 9.4562 10.6207 10.6207 10.9472 10.9472 11.9276 11.9276 12.0079 12.0079 12.0356 12.0356 12.4070 12.4070 12.8283 12.8283 14.1013 14.1013 14.2132 14.2132 14.2476 14.2476 15.5718 15.5718 16.6379 16.6379 19.4643 19.4643 k = 0.2182-0.1260 0.1781 ( 1628 PWs) bands (ev): 1.7086 1.7086 5.8477 5.8477 5.9181 5.9181 6.1800 6.1800 6.2432 6.2432 6.3222 6.3222 8.4504 8.4504 9.4529 9.4529 9.4736 9.4736 10.5721 10.5721 10.9494 10.9494 11.9025 11.9025 11.9801 11.9801 11.9898 11.9898 12.4032 12.4032 12.8272 12.8272 14.0508 14.0508 14.1023 14.1023 14.1423 14.1423 15.5015 15.5015 16.6086 16.6086 19.5842 19.5842 k = 0.2273-0.1312 0.1856 ( 1628 PWs) bands (ev): 1.7740 1.7740 5.8383 5.8383 5.9162 5.9162 6.1767 6.1767 6.2436 6.2436 6.3262 6.3262 8.4133 8.4133 9.4702 9.4702 9.4916 9.4916 10.5176 10.5176 10.9517 10.9517 11.8776 11.8776 11.9347 11.9347 11.9614 11.9614 12.4000 12.4000 12.8261 12.8261 13.9854 13.9854 13.9932 13.9932 14.0458 14.0458 15.4426 15.4426 16.5808 16.5808 19.7064 19.7064 k = 0.2364-0.1365 0.1930 ( 1624 PWs) bands (ev): 1.8413 1.8413 5.8287 5.8287 5.9142 5.9142 6.1740 6.1740 6.2442 6.2442 6.3303 6.3303 8.3774 8.3774 9.4880 9.4880 9.5102 9.5102 10.4569 10.4569 10.9540 10.9540 11.8530 11.8530 11.8852 11.8852 11.9371 11.9371 12.3977 12.3977 12.8249 12.8249 13.8861 13.8861 13.9002 13.9002 13.9649 13.9649 15.3945 15.3945 16.5543 16.5543 19.8306 19.8306 k = 0.2455-0.1417 0.2004 ( 1616 PWs) bands (ev): 1.9106 1.9106 5.8189 5.8189 5.9121 5.9121 6.1716 6.1716 6.2450 6.2450 6.3344 6.3344 8.3427 8.3427 9.5064 9.5064 9.5294 9.5294 10.3896 10.3896 10.9563 10.9563 11.8288 11.8288 11.8356 11.8356 11.9134 11.9134 12.3955 12.3955 12.8242 12.8242 13.7809 13.7809 13.8037 13.8037 13.8931 13.8931 15.3561 15.3561 16.5293 16.5293 19.9570 19.9570 k = 0.2545-0.1470 0.2078 ( 1612 PWs) bands (ev): 1.9817 1.9817 5.8091 5.8091 5.9097 5.9097 6.1698 6.1698 6.2458 6.2458 6.3386 6.3386 8.3092 8.3092 9.5251 9.5251 9.5490 9.5490 10.3156 10.3156 10.9587 10.9587 11.7866 11.7866 11.8052 11.8052 11.8902 11.8902 12.3935 12.3935 12.8229 12.8229 13.6777 13.6777 13.7049 13.7049 13.8233 13.8233 15.3260 15.3260 16.5055 16.5055 20.0856 20.0856 k = 0.2636-0.1522 0.2153 ( 1620 PWs) bands (ev): 2.0544 2.0544 5.7995 5.7995 5.9072 5.9072 6.1683 6.1683 6.2466 6.2466 6.3427 6.3427 8.2769 8.2769 9.5443 9.5443 9.5692 9.5692 10.2349 10.2349 10.9607 10.9607 11.7378 11.7378 11.7819 11.7819 11.8673 11.8673 12.3918 12.3918 12.8216 12.8216 13.5766 13.5766 13.6069 13.6069 13.7547 13.7547 15.3029 15.3029 16.4830 16.4830 20.2165 20.2165 k = 0.2727-0.1575 0.2227 ( 1620 PWs) bands (ev): 2.1286 2.1286 5.7902 5.7902 5.9046 5.9046 6.1672 6.1672 6.2476 6.2476 6.3469 6.3469 8.2456 8.2456 9.5638 9.5638 9.5897 9.5897 10.1476 10.1476 10.9630 10.9630 11.6897 11.6897 11.7595 11.7595 11.8452 11.8452 12.3903 12.3903 12.8201 12.8201 13.4776 13.4776 13.5105 13.5105 13.6880 13.6880 15.2854 15.2854 16.4618 16.4618 20.3497 20.3497 k = 0.2818-0.1627 0.2301 ( 1620 PWs) bands (ev): 2.2041 2.2041 5.7816 5.7816 5.9018 5.9018 6.1666 6.1666 6.2487 6.2487 6.3510 6.3510 8.2153 8.2153 9.5836 9.5836 9.6107 9.6107 10.0540 10.0540 10.9654 10.9654 11.6424 11.6424 11.7379 11.7379 11.8239 11.8239 12.3890 12.3890 12.8185 12.8185 13.3808 13.3808 13.4161 13.4161 13.6243 13.6243 15.2723 15.2723 16.4417 16.4417 20.4852 20.4852 k = 0.2909-0.1680 0.2375 ( 1620 PWs) bands (ev): 2.2808 2.2808 5.7737 5.7737 5.8990 5.8990 6.1663 6.1663 6.2499 6.2499 6.3552 6.3552 8.1858 8.1858 9.6037 9.6037 9.6320 9.6320 9.9545 9.9545 10.9677 10.9677 11.5963 11.5963 11.7172 11.7172 11.8033 11.8033 12.3879 12.3879 12.8167 12.8167 13.2862 13.2862 13.3240 13.3240 13.5643 13.5643 15.2628 15.2628 16.4229 16.4229 20.6229 20.6229 k = 0.3000-0.1732 0.2449 ( 1624 PWs) bands (ev): 2.3583 2.3583 5.7669 5.7669 5.8961 5.8961 6.1663 6.1663 6.2511 6.2511 6.3593 6.3593 8.1569 8.1569 9.6239 9.6239 9.6536 9.6536 9.8496 9.8496 10.9700 10.9700 11.5514 11.5514 11.6974 11.6974 11.7835 11.7835 12.3868 12.3868 12.8144 12.8144 13.1939 13.1939 13.2345 13.2345 13.5085 13.5085 15.2559 15.2559 16.4051 16.4051 20.7628 20.7628 k = 0.3091-0.1785 0.2524 ( 1632 PWs) bands (ev): 2.4366 2.4366 5.7615 5.7615 5.8930 5.8930 6.1665 6.1665 6.2524 6.2524 6.3633 6.3633 8.1284 8.1284 9.6436 9.6436 9.6754 9.6754 9.7406 9.7406 10.9722 10.9722 11.5073 11.5073 11.6786 11.6786 11.7646 11.7646 12.3859 12.3859 12.8115 12.8115 13.1038 13.1038 13.1478 13.1478 13.4576 13.4576 15.2512 15.2512 16.3884 16.3884 20.9049 20.9049 k = 0.3182-0.1837 0.2598 ( 1632 PWs) bands (ev): 2.5153 2.5153 5.7579 5.7579 5.8900 5.8900 6.1672 6.1672 6.2538 6.2538 6.3673 6.3673 8.0999 8.0999 9.6227 9.6227 9.6687 9.6687 9.6975 9.6975 10.9744 10.9744 11.4651 11.4651 11.6610 11.6610 11.7468 11.7468 12.3850 12.3850 12.8074 12.8074 13.0163 13.0163 13.0649 13.0649 13.4115 13.4115 15.2482 15.2482 16.3727 16.3727 21.0490 21.0490 k = 0.3273-0.1890 0.2672 ( 1640 PWs) bands (ev): 2.5941 2.5941 5.7562 5.7562 5.8868 5.8868 6.1680 6.1680 6.2552 6.2552 6.3712 6.3712 8.0712 8.0712 9.5084 9.5084 9.6871 9.6871 9.7197 9.7197 10.9765 10.9765 11.4244 11.4244 11.6442 11.6442 11.7298 11.7298 12.3841 12.3841 12.8005 12.8005 12.9312 12.9312 12.9871 12.9871 13.3702 13.3702 15.2464 15.2464 16.3581 16.3581 21.1951 21.1951 k = 0.3364-0.1942 0.2746 ( 1640 PWs) bands (ev): 2.6727 2.6727 5.7568 5.7568 5.8837 5.8837 6.1691 6.1691 6.2566 6.2566 6.3750 6.3750 8.0417 8.0417 9.3904 9.3904 9.7075 9.7075 9.7419 9.7419 10.9786 10.9786 11.3854 11.3854 11.6290 11.6290 11.7142 11.7142 12.3833 12.3833 12.7866 12.7866 12.8486 12.8486 12.9189 12.9189 13.3335 13.3335 15.2455 15.2455 16.3444 16.3444 21.3429 21.3429 k = 0.3455-0.1994 0.2821 ( 1632 PWs) bands (ev): 2.7509 2.7509 5.7600 5.7600 5.8806 5.8806 6.1705 6.1705 6.2581 6.2581 6.3787 6.3787 8.0109 8.0109 9.2716 9.2716 9.7280 9.7280 9.7641 9.7641 10.9807 10.9807 11.3480 11.3480 11.6153 11.6153 11.7001 11.7001 12.3827 12.3827 12.7557 12.7557 12.7686 12.7686 12.8703 12.8703 13.3016 13.3016 15.2453 15.2453 16.3317 16.3317 21.4926 21.4926 k = 0.3545-0.2047 0.2895 ( 1632 PWs) bands (ev): 2.8280 2.8280 5.7662 5.7662 5.8775 5.8775 6.1720 6.1720 6.2596 6.2596 6.3823 6.3823 7.9779 7.9779 9.1534 9.1534 9.7483 9.7483 9.7861 9.7861 10.9827 10.9827 11.3125 11.3125 11.6028 11.6028 11.6871 11.6871 12.3820 12.3820 12.6914 12.6914 12.7031 12.7031 12.8463 12.8463 13.2733 13.2733 15.2456 15.2456 16.3198 16.3198 21.6437 21.6437 k = 0.3636-0.2099 0.2969 ( 1632 PWs) bands (ev): 2.9039 2.9039 5.7755 5.7755 5.8745 5.8745 6.1738 6.1738 6.2611 6.2611 6.3857 6.3857 7.9418 7.9418 9.0376 9.0376 9.7683 9.7683 9.8079 9.8079 10.9846 10.9846 11.2788 11.2788 11.5917 11.5917 11.6755 11.6755 12.3813 12.3813 12.6169 12.6169 12.6397 12.6397 12.8356 12.8356 13.2488 13.2488 15.2463 15.2463 16.3088 16.3088 21.7962 21.7962 k = 0.3727-0.2152 0.3043 ( 1632 PWs) bands (ev): 2.9779 2.9779 5.7885 5.7885 5.8715 5.8715 6.1759 6.1759 6.2625 6.2625 6.3890 6.3890 7.9016 7.9016 8.9259 8.9259 9.7879 9.7879 9.8293 9.8293 10.9865 10.9865 11.2470 11.2470 11.5821 11.5821 11.6653 11.6653 12.3805 12.3805 12.5455 12.5455 12.5742 12.5742 12.8302 12.8302 13.2276 13.2276 15.2473 15.2473 16.2987 16.2987 21.9497 21.9497 k = 0.3818-0.2204 0.3118 ( 1624 PWs) bands (ev): 3.0496 3.0496 5.8054 5.8054 5.8687 5.8687 6.1783 6.1783 6.2640 6.2640 6.3921 6.3921 7.8559 7.8559 8.8202 8.8202 9.8071 9.8071 9.8503 9.8503 10.9882 10.9882 11.2171 11.2171 11.5740 11.5740 11.6568 11.6568 12.3794 12.3794 12.4776 12.4776 12.5098 12.5098 12.8269 12.8269 13.2095 13.2095 15.2484 15.2484 16.2893 16.2893 22.1041 22.1041 k = 0.3909-0.2257 0.3192 ( 1628 PWs) bands (ev): 3.1186 3.1186 5.8263 5.8263 5.8660 5.8660 6.1810 6.1810 6.2654 6.2654 6.3950 6.3950 7.8033 7.8033 8.7225 8.7225 9.8256 9.8256 9.8707 9.8707 10.9899 10.9899 11.1893 11.1893 11.5673 11.5673 11.6497 11.6497 12.3756 12.3756 12.4152 12.4152 12.4473 12.4473 12.8246 12.8246 13.1937 13.1937 15.2496 15.2496 16.2808 16.2808 22.2589 22.2589 k = 0.4000-0.2309 0.3266 ( 1628 PWs) bands (ev): 3.1843 3.1843 5.8515 5.8515 5.8634 5.8634 6.1842 6.1842 6.2667 6.2667 6.3978 6.3978 7.7428 7.7428 8.6346 8.6346 9.8432 9.8432 9.8902 9.8902 10.9914 10.9914 11.1635 11.1635 11.5623 11.5623 11.6443 11.6443 12.3427 12.3427 12.3853 12.3853 12.3875 12.3875 12.8229 12.8229 13.1807 13.1807 15.2509 15.2509 16.2730 16.2730 22.4137 22.4137 k = 0.4091-0.2362 0.3340 ( 1628 PWs) bands (ev): 3.2462 3.2462 5.8609 5.8609 5.8810 5.8810 6.1882 6.1882 6.2679 6.2679 6.4003 6.4003 7.6736 7.6736 8.5578 8.5578 9.8600 9.8600 9.9088 9.9088 10.9929 10.9929 11.1399 11.1399 11.5588 11.5588 11.6406 11.6406 12.2863 12.2863 12.3308 12.3308 12.3822 12.3822 12.8216 12.8216 13.1697 13.1697 15.2521 15.2521 16.2659 16.2659 22.5679 22.5679 k = 0.4182-0.2414 0.3414 ( 1628 PWs) bands (ev): 3.3038 3.3038 5.8586 5.8586 5.9144 5.9144 6.1933 6.1933 6.2691 6.2691 6.4027 6.4027 7.5960 7.5960 8.4925 8.4925 9.8757 9.8757 9.9264 9.9264 10.9942 10.9942 11.1184 11.1184 11.5567 11.5567 11.6386 11.6386 12.2312 12.2312 12.2777 12.2777 12.3812 12.3812 12.8206 12.8206 13.1606 13.1606 15.2532 15.2532 16.2596 16.2596 22.7207 22.7207 k = 0.4273-0.2467 0.3489 ( 1628 PWs) bands (ev): 3.3567 3.3567 5.8565 5.8565 5.9512 5.9512 6.2002 6.2002 6.2702 6.2702 6.4048 6.4048 7.5110 7.5110 8.4385 8.4385 9.8903 9.8903 9.9427 9.9427 10.9955 10.9955 11.0990 11.0990 11.5561 11.5561 11.6383 11.6383 12.1796 12.1796 12.2283 12.2283 12.3807 12.3807 12.8197 12.8197 13.1530 13.1530 15.2543 15.2543 16.2539 16.2539 22.8710 22.8710 k = 0.4364-0.2519 0.3563 ( 1624 PWs) bands (ev): 3.4044 3.4044 5.8546 5.8546 5.9900 5.9900 6.2101 6.2101 6.2712 6.2712 6.4066 6.4066 7.4204 7.4204 8.3947 8.3947 9.9035 9.9035 9.9576 9.9576 10.9966 10.9966 11.0818 11.0818 11.5567 11.5567 11.6397 11.6397 12.1317 12.1317 12.1830 12.1830 12.3803 12.3803 12.8190 12.8190 13.1471 13.1471 15.2553 15.2553 16.2490 16.2490 23.0174 23.0174 k = 0.4455-0.2572 0.3637 ( 1624 PWs) bands (ev): 3.4464 3.4464 5.8530 5.8530 6.0282 6.0282 6.2252 6.2252 6.2720 6.2720 6.4083 6.4083 7.3266 7.3266 8.3599 8.3599 9.9153 9.9153 9.9709 9.9709 10.9976 10.9976 11.0669 11.0669 11.5584 11.5584 11.6424 11.6424 12.0881 12.0881 12.1423 12.1423 12.3800 12.3800 12.8184 12.8184 13.1421 13.1421 15.2562 15.2562 16.2448 16.2448 23.1579 23.1579 k = 0.4545-0.2624 0.3711 ( 1624 PWs) bands (ev): 3.4825 3.4825 5.8515 5.8515 6.0623 6.0623 6.2481 6.2481 6.2728 6.2728 6.4097 6.4097 7.2322 7.2322 8.3327 8.3327 9.9255 9.9255 9.9824 9.9824 10.9984 10.9984 11.0542 11.0542 11.5609 11.5609 11.6464 11.6464 12.0493 12.0493 12.1064 12.1064 12.3798 12.3798 12.8180 12.8180 13.1382 13.1382 15.2570 15.2570 16.2412 16.2412 23.2899 23.2899 k = 0.4636-0.2677 0.3786 ( 1624 PWs) bands (ev): 3.5124 3.5124 5.8503 5.8503 6.0886 6.0886 6.2734 6.2734 6.2809 6.2809 6.4109 6.4109 7.1403 7.1403 8.3120 8.3120 9.9340 9.9340 9.9921 9.9921 10.9992 10.9992 11.0438 11.0438 11.5638 11.5638 11.6512 11.6512 12.0156 12.0156 12.0760 12.0760 12.3797 12.3797 12.8176 12.8176 13.1351 13.1351 15.2576 15.2576 16.2383 16.2383 23.4099 23.4099 k = 0.4727-0.2729 0.3860 ( 1632 PWs) bands (ev): 3.5359 3.5359 5.8494 5.8494 6.1063 6.1063 6.2738 6.2738 6.3218 6.3218 6.4117 6.4117 7.0550 7.0550 8.2968 8.2968 9.9407 9.9407 9.9998 9.9998 10.9997 10.9997 11.0357 11.0357 11.5665 11.5665 11.6559 11.6559 11.9880 11.9880 12.0515 12.0515 12.3795 12.3795 12.8173 12.8173 13.1327 13.1327 15.2581 15.2581 16.2360 16.2360 23.5129 23.5129 k = 0.4818-0.2782 0.3934 ( 1632 PWs) bands (ev): 3.5527 3.5527 5.8487 5.8487 6.1169 6.1169 6.2741 6.2741 6.3644 6.3644 6.4124 6.4124 6.9821 6.9821 8.2865 8.2865 9.9456 9.9456 10.0054 10.0054 11.0001 11.0001 11.0299 11.0299 11.5690 11.5690 11.6605 11.6605 11.9673 11.9673 12.0336 12.0336 12.3794 12.3794 12.8172 12.8172 13.1312 13.1312 15.2585 15.2585 16.2344 16.2344 23.5933 23.5933 k = 0.4909-0.2834 0.4008 ( 1648 PWs) bands (ev): 3.5628 3.5628 5.8481 5.8481 6.1224 6.1224 6.2743 6.2743 6.3984 6.3984 6.4127 6.4127 6.9305 6.9305 8.2801 8.2801 9.9485 9.9485 10.0088 10.0088 11.0004 11.0004 11.0261 11.0261 11.5707 11.5707 11.6636 11.6636 11.9543 11.9543 12.0225 12.0225 12.3793 12.3793 12.8166 12.8166 13.1303 13.1303 15.2584 15.2584 16.2334 16.2334 23.6449 23.6449 k = 0.5000-0.2887 0.4082 ( 1660 PWs) bands (ev): 3.5662 3.5662 5.8479 5.8479 6.1240 6.1240 6.2743 6.2743 6.4117 6.4117 6.4128 6.4128 6.9113 6.9113 8.2781 8.2781 9.9495 9.9495 10.0099 10.0099 11.0005 11.0005 11.0247 11.0247 11.5713 11.5713 11.6648 11.6648 11.9495 11.9495 12.0184 12.0184 12.3793 12.3793 12.8165 12.8165 13.1300 13.1300 15.2584 15.2584 16.2330 16.2330 23.6628 23.6628 k = 0.5000-0.2887 0.4082 ( 1660 PWs) bands (ev): 3.5662 3.5662 5.8479 5.8479 6.1240 6.1240 6.2743 6.2743 6.4117 6.4117 6.4128 6.4128 6.9113 6.9113 8.2781 8.2781 9.9495 9.9495 10.0099 10.0099 11.0005 11.0005 11.0247 11.0247 11.5713 11.5713 11.6648 11.6648 11.9495 11.9495 12.0184 12.0184 12.3793 12.3793 12.8165 12.8165 13.1300 13.1300 15.2584 15.2584 16.2330 16.2330 23.6628 23.6628 k = 0.5000-0.2784 0.4155 ( 1640 PWs) bands (ev): 3.5668 3.5668 5.8481 5.8481 6.1229 6.1229 6.2728 6.2728 6.4028 6.4028 6.4257 6.4257 6.9113 6.9113 8.2748 8.2748 9.9479 9.9479 10.0088 10.0088 11.0006 11.0006 11.0277 11.0277 11.5716 11.5716 11.6649 11.6649 11.9497 11.9497 12.0186 12.0186 12.3791 12.3791 12.8178 12.8178 13.1299 13.1299 15.2623 15.2623 16.2381 16.2381 23.6450 23.6450 k = 0.5000-0.2681 0.4228 ( 1632 PWs) bands (ev): 3.5682 3.5682 5.8479 5.8479 6.1195 6.1195 6.2687 6.2687 6.3962 6.3962 6.4436 6.4436 6.9113 6.9113 8.2641 8.2641 9.9382 9.9382 10.0103 10.0103 11.0013 11.0013 11.0353 11.0353 11.5724 11.5724 11.6652 11.6652 11.9497 11.9497 12.0184 12.0184 12.3784 12.3784 12.8209 12.8209 13.1299 13.1299 15.2730 15.2730 16.2534 16.2534 23.5818 23.5818 k = 0.5000-0.2577 0.4301 ( 1632 PWs) bands (ev): 3.5707 3.5707 5.8475 5.8475 6.1138 6.1138 6.2631 6.2631 6.3910 6.3910 6.4660 6.4660 6.9111 6.9111 8.2467 8.2467 9.9133 9.9133 10.0221 10.0221 11.0029 11.0029 11.0466 11.0466 11.5736 11.5736 11.6656 11.6656 11.9495 11.9495 12.0180 12.0180 12.3773 12.3773 12.8258 12.8258 13.1298 13.1298 15.2908 15.2908 16.2786 16.2786 23.4618 23.4618 k = 0.5000-0.2474 0.4374 ( 1632 PWs) bands (ev): 3.5740 3.5740 5.8469 5.8469 6.1062 6.1062 6.2573 6.2573 6.3865 6.3865 6.4922 6.4922 6.9109 6.9109 8.2233 8.2233 9.8738 9.8738 10.0440 10.0440 11.0055 11.0055 11.0608 11.0608 11.5751 11.5751 11.6663 11.6663 11.9489 11.9489 12.0175 12.0175 12.3758 12.3758 12.8324 12.8324 13.1296 13.1296 15.3157 15.3157 16.3139 16.3139 23.2957 23.2957 k = 0.5000-0.2371 0.4447 ( 1632 PWs) bands (ev): 3.5783 3.5783 5.8462 5.8462 6.0972 6.0972 6.2519 6.2519 6.3820 6.3820 6.5218 6.5218 6.9107 6.9107 8.1947 8.1947 9.8230 9.8230 10.0734 10.0734 11.0090 11.0090 11.0768 11.0768 11.5765 11.5765 11.6674 11.6674 11.9480 11.9480 12.0171 12.0171 12.3738 12.3738 12.8406 12.8406 13.1294 13.1294 15.3478 15.3478 16.3591 16.3591 23.1006 23.1006 k = 0.5000-0.2268 0.4520 ( 1628 PWs) bands (ev): 3.5835 3.5835 5.8453 5.8453 6.0870 6.0870 6.2472 6.2472 6.3772 6.3772 6.5545 6.5545 6.9105 6.9105 8.1619 8.1619 9.7631 9.7631 10.1085 10.1085 11.0135 11.0135 11.0938 11.0938 11.5778 11.5778 11.6688 11.6688 11.9466 11.9466 12.0169 12.0169 12.3715 12.3715 12.8503 12.8503 13.1292 13.1292 15.3870 15.3870 16.4141 16.4141 22.8879 22.8879 k = 0.5000-0.2165 0.4593 ( 1628 PWs) bands (ev): 3.5895 3.5895 5.8442 5.8442 6.0760 6.0760 6.2433 6.2433 6.3720 6.3720 6.5898 6.5898 6.9104 6.9104 8.1257 8.1257 9.6959 9.6959 10.1479 10.1479 11.0188 11.0188 11.1112 11.1112 11.5785 11.5785 11.6705 11.6705 11.9445 11.9445 12.0171 12.0171 12.3687 12.3687 12.8613 12.8613 13.1289 13.1289 15.4334 15.4334 16.4788 16.4788 22.6642 22.6642 k = 0.5000-0.2062 0.4666 ( 1624 PWs) bands (ev): 3.5963 3.5963 5.8430 5.8430 6.0648 6.0648 6.2402 6.2402 6.3663 6.3663 6.6274 6.6274 6.9103 6.9103 8.0870 8.0870 9.6228 9.6228 10.1906 10.1906 11.0249 11.0249 11.1284 11.1284 11.5787 11.5787 11.6726 11.6726 11.9416 11.9416 12.0176 12.0176 12.3657 12.3657 12.8733 12.8733 13.1286 13.1286 15.4870 15.4870 16.5531 16.5531 22.4337 22.4337 k = 0.5000-0.1959 0.4739 ( 1628 PWs) bands (ev): 3.6037 3.6037 5.8416 5.8416 6.0534 6.0534 6.2376 6.2376 6.3599 6.3599 6.6672 6.6672 6.9105 6.9105 8.0468 8.0468 9.5449 9.5449 10.2355 10.2355 11.0317 11.0317 11.1451 11.1451 11.5780 11.5780 11.6747 11.6747 11.9378 11.9378 12.0187 12.0187 12.3619 12.3619 12.8861 12.8861 13.1281 13.1281 15.5477 15.5477 16.6366 16.6366 22.1990 22.1990 k = 0.5000-0.1856 0.4811 ( 1632 PWs) bands (ev): 3.6118 3.6118 5.8401 5.8401 6.0422 6.0422 6.2354 6.2354 6.3530 6.3530 6.7088 6.7088 6.9112 6.9112 8.0057 8.0057 9.4630 9.4630 10.2818 10.2818 11.0393 11.0393 11.1609 11.1609 11.5765 11.5765 11.6770 11.6770 11.9330 11.9330 12.0202 12.0202 12.3582 12.3582 12.8992 12.8992 13.1276 13.1276 15.6156 15.6156 16.7292 16.7292 21.9619 21.9619 k = 0.5000-0.1753 0.4884 ( 1634 PWs) bands (ev): 3.6204 3.6204 5.8385 5.8385 6.0314 6.0314 6.2337 6.2337 6.3457 6.3457 6.7515 6.7515 6.9128 6.9128 7.9644 7.9644 9.3781 9.3781 10.3288 10.3288 11.0476 11.0476 11.1759 11.1759 11.5743 11.5743 11.6794 11.6794 11.9273 11.9273 12.0223 12.0223 12.3538 12.3538 12.9130 12.9130 13.1269 13.1269 15.6908 15.6908 16.8307 16.8307 21.7238 21.7238 k = 0.5000-0.1650 0.4957 ( 1634 PWs) bands (ev): 3.6295 3.6295 5.8367 5.8367 6.0211 6.0211 6.2322 6.2322 6.3377 6.3377 6.7942 6.7942 6.9167 6.9167 7.9236 7.9236 9.2907 9.2907 10.3760 10.3760 11.0565 11.0565 11.1898 11.1898 11.5714 11.5714 11.6817 11.6817 11.9207 11.9207 12.0249 12.0249 12.3495 12.3495 12.9269 12.9269 13.1262 13.1262 15.7730 15.7730 16.9407 16.9407 21.4856 21.4856 k = 0.5000-0.1546 0.5030 ( 1632 PWs) bands (ev): 3.6389 3.6389 5.8348 5.8348 6.0114 6.0114 6.2310 6.2310 6.3294 6.3294 6.8333 6.8333 6.9264 6.9264 7.8837 7.8837 9.2015 9.2015 10.4226 10.4226 11.0659 11.0659 11.2026 11.2026 11.5678 11.5678 11.6840 11.6840 11.9133 11.9133 12.0279 12.0279 12.3450 12.3450 12.9407 12.9407 13.1254 13.1254 15.8624 15.8624 17.0590 17.0590 21.2481 21.2481 k = 0.5000-0.1443 0.5103 ( 1636 PWs) bands (ev): 3.6486 3.6486 5.8328 5.8328 6.0022 6.0022 6.2299 6.2299 6.3207 6.3207 6.8616 6.8616 6.9489 6.9489 7.8452 7.8452 9.1109 9.1109 10.4683 10.4683 11.0758 11.0758 11.2142 11.2142 11.5637 11.5637 11.6862 11.6862 11.9052 11.9052 12.0312 12.0312 12.3401 12.3401 12.9543 12.9543 13.1244 13.1244 15.9588 15.9588 17.1852 17.1852 21.0117 21.0117 k = 0.5000-0.1340 0.5176 ( 1632 PWs) bands (ev): 3.6584 3.6584 5.8308 5.8308 5.9938 5.9938 6.2290 6.2290 6.3117 6.3117 6.8755 6.8755 6.9880 6.9880 7.8084 7.8084 9.0193 9.0193 10.5125 10.5125 11.0863 11.0863 11.2247 11.2247 11.5593 11.5593 11.6884 11.6884 11.8964 11.8964 12.0347 12.0347 12.3354 12.3354 12.9676 12.9676 13.1233 13.1233 16.0622 16.0622 17.3191 17.3191 20.7771 20.7771 k = 0.5000-0.1237 0.5249 ( 1636 PWs) bands (ev): 3.6681 3.6681 5.8286 5.8286 5.9860 5.9860 6.2280 6.2280 6.3025 6.3025 6.8811 6.8811 7.0375 7.0375 7.7737 7.7737 8.9272 8.9272 10.5550 10.5550 11.0971 11.0971 11.2340 11.2340 11.5544 11.5544 11.6907 11.6907 11.8868 11.8868 12.0382 12.0382 12.3305 12.3305 12.9804 12.9804 13.1221 13.1221 16.1725 16.1725 17.4602 17.4602 20.5446 20.5446 k = 0.5000-0.1134 0.5322 ( 1634 PWs) bands (ev): 3.6778 3.6778 5.8264 5.8264 5.9790 5.9790 6.2272 6.2272 6.2934 6.2934 6.8834 6.8834 7.0925 7.0925 7.7413 7.7413 8.8348 8.8348 10.5953 10.5953 11.1081 11.1081 11.2420 11.2420 11.5492 11.5492 11.6930 11.6930 11.8770 11.8770 12.0420 12.0420 12.3256 12.3256 12.9926 12.9926 13.1207 13.1207 16.2897 16.2897 17.6083 17.6083 20.3145 20.3145 k = 0.5000-0.1031 0.5395 ( 1626 PWs) bands (ev): 3.6872 3.6872 5.8243 5.8243 5.9726 5.9726 6.2264 6.2264 6.2844 6.2844 6.8841 6.8841 7.1512 7.1512 7.7114 7.7114 8.7425 8.7425 10.6333 10.6333 11.1193 11.1193 11.2488 11.2488 11.5441 11.5441 11.6956 11.6956 11.8667 11.8667 12.0459 12.0459 12.3212 12.3212 13.0043 13.0043 13.1192 13.1192 16.4134 16.4134 17.7630 17.7630 20.0873 20.0873 k = 0.5000-0.0928 0.5468 ( 1626 PWs) bands (ev): 3.6962 3.6962 5.8222 5.8222 5.9670 5.9670 6.2255 6.2255 6.2758 6.2758 6.8842 6.8842 7.2126 7.2126 7.6841 7.6841 8.6505 8.6505 10.6685 10.6685 11.1306 11.1306 11.2542 11.2542 11.5387 11.5387 11.6985 11.6985 11.8561 11.8561 12.0497 12.0497 12.3165 12.3165 13.0152 13.0152 13.1174 13.1174 16.5437 16.5437 17.9240 17.9240 19.8631 19.8631 k = 0.5000-0.0825 0.5541 ( 1630 PWs) bands (ev): 3.7047 3.7047 5.8201 5.8201 5.9619 5.9619 6.2244 6.2244 6.2677 6.2677 6.8838 6.8838 7.2765 7.2765 7.6596 7.6596 8.5590 8.5590 10.7008 10.7008 11.1418 11.1418 11.2582 11.2582 11.5332 11.5332 11.7017 11.7017 11.8453 11.8453 12.0533 12.0533 12.3119 12.3119 13.0255 13.0255 13.1154 13.1154 16.6803 16.6803 18.0909 18.0909 19.6423 19.6423 k = 0.5000-0.0722 0.5613 ( 1626 PWs) bands (ev): 3.7126 3.7126 5.8181 5.8181 5.9576 5.9576 6.2233 6.2233 6.2604 6.2604 6.8833 6.8833 7.3428 7.3428 7.6380 7.6380 8.4682 8.4682 10.7299 10.7299 11.1529 11.1529 11.2611 11.2611 11.5281 11.5281 11.7056 11.7056 11.8344 11.8344 12.0568 12.0568 12.3077 12.3077 13.0353 13.0353 13.1131 13.1131 16.8231 16.8231 18.2635 18.2635 19.4252 19.4252 k = 0.5000-0.0619 0.5686 ( 1628 PWs) bands (ev): 3.7197 3.7197 5.8163 5.8163 5.9538 5.9538 6.2218 6.2218 6.2541 6.2541 6.8827 6.8827 7.4111 7.4111 7.6192 7.6192 8.3783 8.3783 10.7557 10.7557 11.1637 11.1637 11.2625 11.2625 11.5232 11.5232 11.7100 11.7100 11.8235 11.8235 12.0600 12.0600 12.3039 12.3039 13.0442 13.0442 13.1105 13.1105 16.9717 16.9717 18.4412 18.4412 19.2123 19.2123 k = 0.5000-0.0515 0.5759 ( 1632 PWs) bands (ev): 3.7259 3.7259 5.8146 5.8146 5.9507 5.9507 6.2201 6.2201 6.2489 6.2489 6.8821 6.8821 7.4816 7.4816 7.6032 7.6032 8.2895 8.2895 10.7778 10.7778 11.1740 11.1740 11.2627 11.2627 11.5188 11.5188 11.7151 11.7151 11.8125 11.8125 12.0628 12.0628 12.3004 12.3004 13.0523 13.0523 13.1078 13.1078 17.1259 17.1259 18.6234 18.6234 19.0044 19.0044 k = 0.5000-0.0412 0.5832 ( 1632 PWs) bands (ev): 3.7311 3.7311 5.8132 5.8132 5.9482 5.9482 6.2182 6.2182 6.2450 6.2450 6.8816 6.8816 7.5540 7.5540 7.5903 7.5903 8.2020 8.2020 10.7962 10.7962 11.1835 11.1835 11.2619 11.2619 11.5150 11.5150 11.7206 11.7206 11.8021 11.8021 12.0652 12.0652 12.2974 12.2974 13.0598 13.0598 13.1048 13.1048 17.2850 17.2850 18.7777 18.7777 18.8341 18.8341 k = 0.5000-0.0309 0.5905 ( 1622 PWs) bands (ev): 3.7353 3.7353 5.8121 5.8121 5.9463 5.9463 6.2164 6.2164 6.2423 6.2423 6.8811 6.8811 7.5801 7.5801 7.6284 7.6284 8.1159 8.1159 10.8108 10.8108 11.1921 11.1921 11.2603 11.2603 11.5120 11.5120 11.7266 11.7266 11.7923 11.7923 12.0674 12.0674 12.2952 12.2952 13.0665 13.0665 13.1017 13.1017 17.4481 17.4481 18.5987 18.5987 19.0075 19.0075 k = 0.5000-0.0206 0.5978 ( 1628 PWs) bands (ev): 3.7384 3.7384 5.8113 5.8113 5.9449 5.9449 6.2147 6.2147 6.2404 6.2404 6.8808 6.8808 7.5729 7.5729 7.7043 7.7043 8.0314 8.0314 10.8213 10.8213 11.1989 11.1989 11.2583 11.2583 11.5096 11.5096 11.7326 11.7326 11.7834 11.7834 12.0687 12.0687 12.2934 12.2934 13.0722 13.0722 13.0983 13.0983 17.6124 17.6124 18.4103 18.4103 19.2031 19.2031 k = 0.5000-0.0103 0.6051 ( 1628 PWs) bands (ev): 3.7402 3.7402 5.8108 5.8108 5.9440 5.9440 6.2137 6.2137 6.2395 6.2395 6.8806 6.8806 7.5686 7.5686 7.7810 7.7810 7.9496 7.9496 10.8276 10.8276 11.2035 11.2035 11.2567 11.2567 11.5082 11.5082 11.7376 11.7376 11.7767 11.7767 12.0696 12.0696 12.2923 12.2923 13.0765 13.0765 13.0955 13.0955 17.7684 17.7684 18.2396 18.2396 19.4028 19.4028 k = 0.5000-0.0000 0.6124 ( 1628 PWs) bands (ev): 3.7408 3.7408 5.8106 5.8106 5.9438 5.9438 6.2133 6.2133 6.2391 6.2391 6.8805 6.8805 7.5672 7.5672 7.8411 7.8411 7.8879 7.8879 10.8297 10.8297 11.2051 11.2051 11.2560 11.2560 11.5077 11.5077 11.7397 11.7397 11.7740 11.7740 12.0699 12.0699 12.2920 12.2920 13.0783 13.0783 13.0942 13.0942 17.8569 17.8569 18.1462 18.1462 19.5846 19.5846 k = 0.5000-0.0000 0.6124 ( 1628 PWs) bands (ev): 3.7408 3.7408 5.8106 5.8106 5.9438 5.9438 6.2133 6.2133 6.2391 6.2391 6.8805 6.8805 7.5672 7.5672 7.8411 7.8411 7.8879 7.8879 10.8297 10.8297 11.2051 11.2051 11.2560 11.2560 11.5077 11.5077 11.7397 11.7397 11.7740 11.7740 12.0699 12.0699 12.2920 12.2920 13.0783 13.0783 13.0942 13.0942 17.8569 17.8569 18.1462 18.1462 19.5846 19.5846 k = 0.4938 0.0108 0.6124 ( 1628 PWs) bands (ev): 3.7401 3.7401 5.8105 5.8105 5.9436 5.9436 6.2134 6.2134 6.2392 6.2392 6.8791 6.8791 7.5575 7.5575 7.8048 7.8048 7.9392 7.9392 10.8281 10.8281 11.2047 11.2047 11.2565 11.2565 11.5065 11.5065 11.7398 11.7398 11.7761 11.7761 12.0698 12.0698 12.2920 12.2920 13.0779 13.0779 13.0952 13.0952 17.8028 17.8028 18.1969 18.1969 19.4705 19.4705 k = 0.4875 0.0217 0.6124 ( 1628 PWs) bands (ev): 3.7380 3.7380 5.8104 5.8104 5.9434 5.9434 6.2135 6.2135 6.2396 6.2396 6.8754 6.8754 7.5361 7.5361 7.7537 7.7537 8.0271 8.0271 10.8233 10.8233 11.2034 11.2034 11.2581 11.2581 11.5028 11.5028 11.7411 11.7411 11.7812 11.7812 12.0693 12.0693 12.2920 12.2920 13.0775 13.0775 13.0976 13.0976 17.6856 17.6856 18.3049 18.3049 19.3519 19.3519 k = 0.4813 0.0325 0.6124 ( 1622 PWs) bands (ev): 3.7349 3.7349 5.8102 5.8102 5.9431 5.9431 6.2136 6.2136 6.2405 6.2405 6.8700 6.8700 7.5103 7.5103 7.7033 7.7033 8.1277 8.1277 10.8152 10.8152 11.2016 11.2016 11.2606 11.2606 11.4968 11.4968 11.7445 11.7445 11.7881 11.7881 12.0686 12.0686 12.2919 12.2919 13.0777 13.0777 13.1008 13.1008 17.5451 17.5451 18.4318 18.4318 19.2481 19.2481 k = 0.4750 0.0433 0.6124 ( 1626 PWs) bands (ev): 3.7309 3.7309 5.8097 5.8097 5.9427 5.9427 6.2134 6.2134 6.2418 6.2418 6.8634 6.8634 7.4833 7.4833 7.6547 7.6547 8.2357 8.2357 10.8037 10.8037 11.1991 11.1991 11.2639 11.2639 11.4887 11.4887 11.7499 11.7499 11.7959 11.7959 12.0676 12.0676 12.2916 12.2916 13.0789 13.0789 13.1043 13.1043 17.3933 17.3933 18.5670 18.5670 19.1581 19.1581 k = 0.4688 0.0541 0.6124 ( 1627 PWs) bands (ev): 3.7263 3.7263 5.8090 5.8090 5.9425 5.9425 6.2129 6.2129 6.2437 6.2437 6.8560 6.8560 7.4567 7.4567 7.6085 7.6085 8.3483 8.3483 10.7889 10.7889 11.1962 11.1962 11.2679 11.2679 11.4793 11.4793 11.7569 11.7569 11.8043 11.8043 12.0664 12.0664 12.2913 12.2913 13.0815 13.0815 13.1080 13.1080 17.2356 17.2356 18.7071 18.7071 19.0810 19.0810 k = 0.4625 0.0650 0.6124 ( 1627 PWs) bands (ev): 3.7211 3.7211 5.8082 5.8082 5.9425 5.9425 6.2121 6.2121 6.2461 6.2461 6.8479 6.8479 7.4313 7.4313 7.5647 7.5647 8.4640 8.4640 10.7707 10.7707 11.1932 11.1932 11.2724 11.2724 11.4689 11.4689 11.7650 11.7650 11.8131 11.8131 12.0651 12.0651 12.2909 12.2909 13.0854 13.0854 13.1118 13.1118 17.0753 17.0753 18.8482 18.8482 19.0176 19.0176 k = 0.4562 0.0758 0.6124 ( 1627 PWs) bands (ev): 3.7157 3.7157 5.8071 5.8071 5.9428 5.9428 6.2110 6.2110 6.2491 6.2491 6.8395 6.8395 7.4074 7.4074 7.5235 7.5235 8.5816 8.5816 10.7489 10.7489 11.1901 11.1901 11.2773 11.2773 11.4580 11.4580 11.7738 11.7738 11.8221 11.8221 12.0637 12.0637 12.2902 12.2902 13.0907 13.0907 13.1158 13.1158 16.9148 16.9148 18.9324 18.9324 19.0240 19.0240 k = 0.4500 0.0866 0.6124 ( 1632 PWs) bands (ev): 3.7100 3.7100 5.8058 5.8058 5.9433 5.9433 6.2095 6.2095 6.2526 6.2526 6.8308 6.8308 7.3853 7.3853 7.4849 7.4849 8.7003 8.7003 10.7236 10.7236 11.1870 11.1870 11.2824 11.2824 11.4469 11.4469 11.7827 11.7827 11.8312 11.8312 12.0621 12.0621 12.2894 12.2894 13.0971 13.0971 13.1199 13.1199 16.7565 16.7565 18.8942 18.8942 19.1641 19.1641 k = 0.4437 0.0974 0.6124 ( 1630 PWs) bands (ev): 3.7044 3.7044 5.8043 5.8043 5.9441 5.9441 6.2079 6.2079 6.2564 6.2564 6.8221 6.8221 7.3650 7.3650 7.4492 7.4492 8.8191 8.8191 10.6946 10.6946 11.1840 11.1840 11.2875 11.2875 11.4362 11.4362 11.7916 11.7916 11.8403 11.8403 12.0606 12.0606 12.2885 12.2885 13.1046 13.1046 13.1245 13.1245 16.6022 16.6022 18.8518 18.8518 19.3183 19.3183 k = 0.4375 0.1083 0.6124 ( 1622 PWs) bands (ev): 3.6989 3.6989 5.8028 5.8028 5.9453 5.9453 6.2061 6.2061 6.2605 6.2605 6.8135 6.8135 7.3465 7.3465 7.4163 7.4163 8.9375 8.9375 10.6619 10.6619 11.1811 11.1811 11.2925 11.2925 11.4259 11.4259 11.8004 11.8004 11.8491 11.8491 12.0594 12.0594 12.2876 12.2876 13.1122 13.1122 13.1304 13.1304 16.4538 16.4538 18.8141 18.8141 19.4769 19.4769 k = 0.4313 0.1191 0.6124 ( 1626 PWs) bands (ev): 3.6935 3.6935 5.8010 5.8010 5.9466 5.9466 6.2041 6.2041 6.2647 6.2647 6.8050 6.8050 7.3299 7.3299 7.3864 7.3864 9.0546 9.0546 10.6252 10.6252 11.1784 11.1784 11.2971 11.2971 11.4162 11.4162 11.8086 11.8086 11.8576 11.8576 12.0579 12.0579 12.2865 12.2865 13.1188 13.1188 13.1381 13.1381 16.3128 16.3128 18.7811 18.7811 19.6388 19.6388 k = 0.4250 0.1299 0.6124 ( 1626 PWs) bands (ev): 3.6885 3.6885 5.7993 5.7993 5.9481 5.9481 6.2021 6.2021 6.2688 6.2688 6.7970 6.7970 7.3151 7.3151 7.3595 7.3595 9.1698 9.1698 10.5847 10.5847 11.1758 11.1758 11.3013 11.3013 11.4075 11.4075 11.8162 11.8162 11.8655 11.8655 12.0566 12.0566 12.2854 12.2854 13.1237 13.1237 13.1482 13.1482 16.1808 16.1808 18.7526 18.7526 19.8038 19.8038 k = 0.4188 0.1407 0.6124 ( 1631 PWs) bands (ev): 3.6838 3.6838 5.7975 5.7975 5.9497 5.9497 6.2001 6.2001 6.2729 6.2729 6.7894 6.7894 7.3021 7.3021 7.3357 7.3357 9.2821 9.2821 10.5402 10.5402 11.1735 11.1735 11.3048 11.3048 11.3997 11.3997 11.8230 11.8230 11.8727 11.8727 12.0554 12.0554 12.2844 12.2844 13.1274 13.1274 13.1598 13.1598 16.0593 16.0593 18.7281 18.7281 19.9716 19.9716 k = 0.4125 0.1516 0.6124 ( 1631 PWs) bands (ev): 3.6797 3.6797 5.7958 5.7958 5.9513 5.9513 6.1982 6.1982 6.2767 6.2767 6.7825 6.7825 7.2907 7.2907 7.3152 7.3152 9.3909 9.3909 10.4921 10.4921 11.1714 11.1714 11.3078 11.3078 11.3933 11.3933 11.8292 11.8292 11.8792 11.8792 12.0543 12.0543 12.2834 12.2834 13.1302 13.1302 13.1723 13.1723 15.9500 15.9500 18.7075 18.7075 20.1420 20.1420 k = 0.4062 0.1624 0.6124 ( 1627 PWs) bands (ev): 3.6760 3.6760 5.7943 5.7943 5.9529 5.9529 6.1965 6.1965 6.2802 6.2802 6.7764 6.7764 7.2808 7.2808 7.2981 7.2981 9.4949 9.4949 10.4406 10.4406 11.1697 11.1697 11.3101 11.3101 11.3881 11.3881 11.8345 11.8345 11.8850 11.8850 12.0534 12.0534 12.2824 12.2824 13.1325 13.1325 13.1846 13.1846 15.8541 15.8541 18.6905 18.6905 20.3149 20.3149 k = 0.4000 0.1732 0.6124 ( 1629 PWs) bands (ev): 3.6730 3.6730 5.7930 5.7930 5.9544 5.9544 6.1950 6.1950 6.2832 6.2832 6.7712 6.7712 7.2721 7.2721 7.2848 7.2848 9.5927 9.5927 10.3868 10.3868 11.1682 11.1682 11.3116 11.3116 11.3841 11.3841 11.8390 11.8390 11.8897 11.8897 12.0525 12.0525 12.2815 12.2815 13.1342 13.1342 13.1961 13.1961 15.7733 15.7733 18.6767 18.6767 20.4898 20.4898 k = 0.3937 0.1840 0.6124 ( 1633 PWs) bands (ev): 3.6706 3.6706 5.7919 5.7919 5.9556 5.9556 6.1937 6.1937 6.2856 6.2856 6.7669 6.7669 7.2644 7.2644 7.2754 7.2754 9.6818 9.6818 10.3323 10.3323 11.1669 11.1669 11.3126 11.3126 11.3812 11.3812 11.8424 11.8424 11.8934 11.8934 12.0519 12.0519 12.2808 12.2808 13.1356 13.1356 13.2059 13.2059 15.7087 15.7087 18.6662 18.6662 20.6664 20.6664 k = 0.3875 0.1949 0.6124 ( 1631 PWs) bands (ev): 3.6688 3.6688 5.7911 5.7911 5.9565 5.9565 6.1928 6.1928 6.2874 6.2874 6.7639 6.7639 7.2580 7.2580 7.2695 7.2695 9.7579 9.7579 10.2813 10.2813 11.1661 11.1661 11.3132 11.3132 11.3793 11.3793 11.8449 11.8449 11.8961 11.8961 12.0514 12.0514 12.2804 12.2804 13.1366 13.1366 13.2135 13.2135 15.6617 15.6617 18.6588 18.6588 20.8436 20.8436 k = 0.3812 0.2057 0.6124 ( 1631 PWs) bands (ev): 3.6678 3.6678 5.7906 5.7906 5.9571 5.9571 6.1922 6.1922 6.2885 6.2885 6.7620 6.7620 7.2539 7.2539 7.2663 7.2663 9.8128 9.8128 10.2416 10.2416 11.1656 11.1656 11.3134 11.3134 11.3782 11.3782 11.8465 11.8465 11.8978 11.8978 12.0512 12.0512 12.2801 12.2801 13.1372 13.1372 13.2183 13.2183 15.6330 15.6330 18.6544 18.6544 21.0168 21.0168 k = 0.3750 0.2165 0.6124 ( 1624 PWs) bands (ev): 3.6674 3.6674 5.7905 5.7905 5.9573 5.9573 6.1921 6.1921 6.2890 6.2890 6.7614 6.7614 7.2525 7.2525 7.2653 7.2653 9.8337 9.8337 10.2259 10.2259 11.1655 11.1655 11.3136 11.3136 11.3780 11.3780 11.8470 11.8470 11.8984 11.8984 12.0512 12.0512 12.2800 12.2800 13.1374 13.1374 13.2200 13.2200 15.6235 15.6235 18.6529 18.6529 21.1340 21.1340 k = 0.3750 0.2165 0.6124 ( 1624 PWs) bands (ev): 3.6674 3.6674 5.7905 5.7905 5.9573 5.9573 6.1921 6.1921 6.2890 6.2890 6.7614 6.7614 7.2525 7.2525 7.2653 7.2653 9.8337 9.8337 10.2259 10.2259 11.1655 11.1655 11.3136 11.3136 11.3780 11.3780 11.8470 11.8470 11.8984 11.8984 12.0512 12.0512 12.2800 12.2800 13.1374 13.1374 13.2200 13.2200 15.6235 15.6235 18.6529 18.6529 21.1340 21.1340 k = 0.3686 0.2128 0.6020 ( 1628 PWs) bands (ev): 3.6654 3.6654 5.7813 5.7813 5.9506 5.9506 6.1852 6.1852 6.2824 6.2824 6.7294 6.7294 7.2267 7.2267 7.3163 7.3163 9.8559 9.8559 10.2454 10.2454 11.1812 11.1812 11.3074 11.3074 11.3714 11.3714 11.8555 11.8555 11.9053 11.9053 12.0567 12.0567 12.2694 12.2694 13.1403 13.1403 13.2633 13.2633 15.6348 15.6348 18.8843 18.8843 20.9979 20.9979 k = 0.3623 0.2092 0.5916 ( 1628 PWs) bands (ev): 3.6604 3.6604 5.7711 5.7711 5.9443 5.9443 6.1774 6.1774 6.2764 6.2764 6.6942 6.6942 7.1974 7.1974 7.3813 7.3813 9.8808 9.8808 10.2647 10.2647 11.1963 11.1963 11.2930 11.2930 11.3726 11.3726 11.8572 11.8572 11.9210 11.9210 12.0625 12.0625 12.2586 12.2586 13.1435 13.1435 13.3091 13.3091 15.6459 15.6459 19.1195 19.1195 20.8637 20.8637 k = 0.3559 0.2055 0.5812 ( 1632 PWs) bands (ev): 3.6519 3.6519 5.7598 5.7598 5.9385 5.9385 6.1688 6.1688 6.2709 6.2709 6.6575 6.6575 7.1756 7.1756 7.4480 7.4480 9.9081 9.9081 10.2838 10.2838 11.2079 11.2079 11.2772 11.2772 11.3773 11.3773 11.8549 11.8549 11.9425 11.9425 12.0686 12.0686 12.2477 12.2477 13.1470 13.1470 13.3575 13.3575 15.6571 15.6571 19.3555 19.3555 20.7326 20.7326 k = 0.3496 0.2018 0.5709 ( 1632 PWs) bands (ev): 3.6395 3.6395 5.7477 5.7477 5.9332 5.9332 6.1596 6.1596 6.2660 6.2660 6.6208 6.6208 7.1601 7.1601 7.5163 7.5163 9.9377 9.9377 10.3025 10.3025 11.2081 11.2081 11.2705 11.2705 11.3831 11.3831 11.8514 11.8514 11.9673 11.9673 12.0751 12.0751 12.2369 12.2369 13.1509 13.1509 13.4085 13.4085 15.6685 15.6685 19.5858 19.5858 20.6089 20.6089 k = 0.3432 0.1982 0.5605 ( 1628 PWs) bands (ev): 3.6228 3.6228 5.7351 5.7351 5.9284 5.9284 6.1500 6.1500 6.2616 6.2616 6.5858 6.5858 7.1498 7.1498 7.5860 7.5860 9.9694 9.9694 10.3206 10.3206 11.1926 11.1926 11.2789 11.2789 11.3890 11.3890 11.8475 11.8475 11.9941 11.9941 12.0821 12.0821 12.2267 12.2267 13.1554 13.1554 13.4621 13.4621 15.6801 15.6801 19.7925 19.7925 20.5051 20.5051 k = 0.3369 0.1945 0.5501 ( 1620 PWs) bands (ev): 3.6012 3.6012 5.7224 5.7224 5.9243 5.9243 6.1402 6.1402 6.2577 6.2577 6.5533 6.5533 7.1437 7.1437 7.6570 7.6570 10.0031 10.0031 10.3381 10.3381 11.1685 11.1685 11.2951 11.2951 11.3948 11.3948 11.8438 11.8438 12.0217 12.0217 12.0900 12.0900 12.2178 12.2178 13.1603 13.1603 13.5181 13.5181 15.6920 15.6920 19.9247 19.9247 20.4302 20.4302 k = 0.3305 0.1908 0.5397 ( 1612 PWs) bands (ev): 3.5746 3.5746 5.7100 5.7100 5.9206 5.9206 6.1305 6.1305 6.2542 6.2542 6.5238 6.5238 7.1411 7.1411 7.7291 7.7291 10.0385 10.0385 10.3547 10.3547 11.1410 11.1410 11.3141 11.3141 11.4004 11.4004 11.8407 11.8407 12.0474 12.0474 12.0999 12.0999 12.2109 12.2109 13.1657 13.1657 13.5770 13.5770 15.7044 15.7044 19.9235 19.9235 20.3335 20.3335 k = 0.3242 0.1871 0.5293 ( 1616 PWs) bands (ev): 3.5427 3.5427 5.6987 5.6987 5.9174 5.9174 6.1211 6.1211 6.2510 6.2510 6.4975 6.4975 7.1412 7.1412 7.8022 7.8022 10.0755 10.0755 10.3703 10.3703 11.1120 11.1120 11.3340 11.3340 11.4062 11.4062 11.8379 11.8379 12.0675 12.0675 12.1129 12.1129 12.2086 12.2086 13.1717 13.1717 13.6382 13.6382 15.7172 15.7172 19.8329 19.8329 20.2266 20.2266 k = 0.3178 0.1835 0.5190 ( 1616 PWs) bands (ev): 3.5054 3.5054 5.6889 5.6889 5.9147 5.9147 6.1124 6.1124 6.2481 6.2481 6.4743 6.4743 7.1439 7.1439 7.8762 7.8762 10.1138 10.1138 10.3847 10.3847 11.0823 11.0823 11.3538 11.3538 11.4130 11.4130 11.8360 11.8360 12.0796 12.0796 12.1272 12.1272 12.2158 12.2158 13.1783 13.1783 13.7018 13.7018 15.7306 15.7306 19.7095 19.7095 20.1211 20.1211 k = 0.3114 0.1798 0.5086 ( 1616 PWs) bands (ev): 3.4626 3.4626 5.6812 5.6812 5.9124 5.9124 6.1045 6.1045 6.2455 6.2455 6.4541 6.4541 7.1489 7.1489 7.9508 7.9508 10.1533 10.1533 10.3976 10.3976 11.0522 11.0522 11.3719 11.3719 11.4222 11.4222 11.8350 11.8350 12.0850 12.0850 12.1373 12.1373 12.2364 12.2364 13.1855 13.1855 13.7680 13.7680 15.7446 15.7446 19.5746 19.5746 20.0189 20.0189 k = 0.3051 0.1761 0.4982 ( 1622 PWs) bands (ev): 3.4146 3.4146 5.6761 5.6761 5.9104 5.9104 6.0975 6.0975 6.2431 6.2431 6.4364 6.4364 7.1559 7.1559 8.0260 8.0260 10.1938 10.1938 10.4087 10.4087 11.0222 11.0222 11.3861 11.3861 11.4357 11.4357 11.8348 11.8348 12.0856 12.0856 12.1432 12.1432 12.2687 12.2687 13.1934 13.1934 13.8365 13.8365 15.7592 15.7592 19.4354 19.4354 19.9204 19.9204 k = 0.2987 0.1725 0.4878 ( 1626 PWs) bands (ev): 3.3615 3.3615 5.6737 5.6737 5.9088 5.9088 6.0915 6.0915 6.2409 6.2409 6.4210 6.4210 7.1649 7.1649 8.1013 8.1013 10.2350 10.2350 10.4180 10.4180 10.9928 10.9928 11.3961 11.3961 11.4545 11.4545 11.8359 11.8359 12.0824 12.0824 12.1480 12.1480 12.3084 12.3084 13.2016 13.2016 13.9076 13.9076 15.7745 15.7745 19.2948 19.2948 19.8254 19.8254 k = 0.2924 0.1688 0.4774 ( 1626 PWs) bands (ev): 3.3037 3.3037 5.6742 5.6742 5.9075 5.9075 6.0866 6.0866 6.2389 6.2389 6.4076 6.4076 7.1759 7.1759 8.1767 8.1767 10.2768 10.2768 10.4248 10.4248 10.9642 10.9642 11.4033 11.4033 11.4771 11.4771 11.8383 11.8383 12.0768 12.0768 12.1535 12.1535 12.3528 12.3528 13.2110 13.2110 13.9810 13.9810 15.7906 15.7906 19.1543 19.1543 19.7342 19.7342 k = 0.2860 0.1651 0.4671 ( 1622 PWs) bands (ev): 3.2417 3.2417 5.6776 5.6776 5.9064 5.9064 6.0828 6.0828 6.2371 6.2371 6.3958 6.3958 7.1889 7.1889 8.2520 8.2520 10.3188 10.3188 10.4290 10.4290 10.9371 10.9371 11.4093 11.4093 11.5021 11.5021 11.8420 11.8420 12.0700 12.0700 12.1598 12.1598 12.4006 12.4006 13.2212 13.2212 14.0567 14.0567 15.8075 15.8075 19.0149 19.0149 19.6467 19.6467 k = 0.2797 0.1615 0.4567 ( 1622 PWs) bands (ev): 3.1759 3.1759 5.6837 5.6837 5.9055 5.9055 6.0802 6.0802 6.2354 6.2354 6.3854 6.3854 7.2040 7.2040 8.3267 8.3267 10.3604 10.3604 10.4303 10.4303 10.9119 10.9119 11.4149 11.4149 11.5288 11.5288 11.8471 11.8471 12.0628 12.0628 12.1668 12.1668 12.4511 12.4511 13.2324 13.2324 14.1345 14.1345 15.8251 15.8251 18.8771 18.8771 19.5628 19.5628 k = 0.2733 0.1578 0.4463 ( 1622 PWs) bands (ev): 3.1067 3.1067 5.6922 5.6922 5.9048 5.9048 6.0786 6.0786 6.2338 6.2338 6.3762 6.3762 7.2212 7.2212 8.4007 8.4007 10.3995 10.3995 10.4301 10.4301 10.8891 10.8891 11.4209 11.4209 11.5564 11.5564 11.8537 11.8537 12.0560 12.0560 12.1743 12.1743 12.5039 12.5039 13.2445 13.2445 14.2146 14.2146 15.8434 15.8434 18.7413 18.7413 19.4826 19.4826 k = 0.2669 0.1541 0.4359 ( 1622 PWs) bands (ev): 3.0347 3.0347 5.7028 5.7028 5.9042 5.9042 6.0781 6.0781 6.2324 6.2324 6.3680 6.3680 7.2406 7.2406 8.4737 8.4737 10.4140 10.4140 10.4500 10.4500 10.8693 10.8693 11.4276 11.4276 11.5848 11.5848 11.8619 11.8619 12.0500 12.0500 12.1822 12.1822 12.5588 12.5588 13.2577 13.2577 14.2967 14.2967 15.8624 15.8624 18.6080 18.6080 19.4061 19.4061 k = 0.2606 0.1505 0.4255 ( 1626 PWs) bands (ev): 2.9605 2.9605 5.7150 5.7150 5.9037 5.9037 6.0787 6.0787 6.2312 6.2312 6.3606 6.3606 7.2624 7.2624 8.5452 8.5452 10.4046 10.4046 10.4885 10.4885 10.8528 10.8528 11.4354 11.4354 11.6138 11.6138 11.8715 11.8715 12.0454 12.0454 12.1904 12.1904 12.6156 12.6156 13.2720 13.2720 14.3808 14.3808 15.8819 15.8819 18.4774 18.4774 19.3332 19.3332 k = 0.2542 0.1468 0.4152 ( 1624 PWs) bands (ev): 2.8844 2.8844 5.7284 5.7284 5.9033 5.9033 6.0805 6.0805 6.2301 6.2301 6.3539 6.3539 7.2866 7.2866 8.6151 8.6151 10.3888 10.3888 10.5277 10.5277 10.8398 10.8398 11.4445 11.4445 11.6438 11.6438 11.8824 11.8824 12.0427 12.0427 12.1989 12.1989 12.6742 12.6742 13.2877 13.2877 14.4667 14.4667 15.9020 15.9020 18.3501 18.3501 19.2640 19.2640 k = 0.2479 0.1431 0.4048 ( 1624 PWs) bands (ev): 2.8069 2.8069 5.7426 5.7426 5.9031 5.9031 6.0833 6.0833 6.2292 6.2292 6.3477 6.3477 7.3134 7.3134 8.6829 8.6829 10.3683 10.3683 10.5659 10.5659 10.8302 10.8302 11.4551 11.4551 11.6744 11.6744 11.8945 11.8945 12.0425 12.0425 12.2076 12.2076 12.7345 12.7345 13.3048 13.3048 14.5544 14.5544 15.9224 15.9224 18.2263 18.2263 19.1985 19.1985 k = 0.2415 0.1394 0.3944 ( 1628 PWs) bands (ev): 2.7285 2.7285 5.7573 5.7573 5.9029 5.9029 6.0870 6.0870 6.2285 6.2285 6.3420 6.3420 7.3429 7.3429 8.7483 8.7483 10.3436 10.3436 10.6025 10.6025 10.8236 10.8236 11.4673 11.4673 11.7057 11.7057 11.9071 11.9071 12.0454 12.0454 12.2165 12.2165 12.7964 12.7964 13.3236 13.3236 14.6436 14.6436 15.9428 15.9428 18.1066 18.1066 19.1367 19.1367 k = 0.2352 0.1358 0.3840 ( 1626 PWs) bands (ev): 2.6495 2.6495 5.7719 5.7719 5.9029 5.9029 6.0918 6.0918 6.2279 6.2279 6.3368 6.3368 7.3752 7.3752 8.8111 8.8111 10.3152 10.3152 10.6372 10.6372 10.8199 10.8199 11.4817 11.4817 11.7376 11.7376 11.9197 11.9197 12.0522 12.0522 12.2256 12.2256 12.8598 12.8598 13.3443 13.3443 14.7342 14.7342 15.9630 15.9630 17.9914 17.9914 19.0787 19.0787 k = 0.2288 0.1321 0.3737 ( 1626 PWs) bands (ev): 2.5703 2.5703 5.7863 5.7863 5.9030 5.9030 6.0974 6.0974 6.2275 6.2275 6.3320 6.3320 7.4103 7.4103 8.8707 8.8707 10.2837 10.2837 10.6696 10.6696 10.8186 10.8186 11.4982 11.4982 11.7701 11.7701 11.9318 11.9318 12.0637 12.0637 12.2349 12.2349 12.9245 12.9245 13.3670 13.3670 14.8261 14.8261 15.9824 15.9824 17.8816 17.8816 19.0246 19.0246 k = 0.2225 0.1284 0.3633 ( 1634 PWs) bands (ev): 2.4912 2.4912 5.8001 5.8001 5.9031 5.9031 6.1038 6.1038 6.2272 6.2272 6.3274 6.3274 7.4483 7.4483 8.9270 8.9270 10.2497 10.2497 10.6996 10.6996 10.8193 10.8193 11.5170 11.5170 11.8028 11.8028 11.9429 11.9429 12.0801 12.0801 12.2444 12.2444 12.9901 12.9901 13.3919 13.3919 14.9191 14.9191 16.0005 16.0005 17.7777 17.7777 18.9743 18.9743 k = 0.2161 0.1248 0.3529 ( 1628 PWs) bands (ev): 2.4125 2.4125 5.8131 5.8131 5.9035 5.9035 6.1110 6.1110 6.2272 6.2272 6.3231 6.3231 7.4894 7.4894 8.9798 8.9798 10.2138 10.2138 10.7268 10.7268 10.8216 10.8216 11.5381 11.5381 11.8364 11.8364 11.9530 11.9530 12.1018 12.1018 12.2541 12.2541 13.0572 13.0572 13.4197 13.4197 15.0130 15.0130 16.0165 16.0165 17.6809 17.6809 18.9281 18.9281 k = 0.2097 0.1211 0.3425 ( 1622 PWs) bands (ev): 2.3345 2.3345 5.8252 5.8252 5.9040 5.9040 6.1186 6.1186 6.2274 6.2274 6.3191 6.3191 7.5334 7.5334 9.0287 9.0287 10.1761 10.1761 10.7513 10.7513 10.8255 10.8255 11.5616 11.5616 11.8704 11.8704 11.9627 11.9627 12.1282 12.1282 12.2642 12.2642 13.1251 13.1251 13.4505 13.4505 15.1075 15.1075 16.0297 16.0297 17.5922 17.5922 18.8859 18.8859 k = 0.2034 0.1174 0.3321 ( 1618 PWs) bands (ev): 2.2573 2.2573 5.8363 5.8363 5.9047 5.9047 6.1267 6.1267 6.2277 6.2277 6.3154 6.3154 7.5803 7.5803 9.0736 9.0736 10.1371 10.1371 10.7725 10.7725 10.8304 10.8304 11.5872 11.5872 11.9047 11.9047 11.9718 11.9718 12.1587 12.1587 12.2746 12.2746 13.1938 13.1938 13.4846 13.4846 15.2024 15.2024 16.0388 16.0388 17.5129 17.5129 18.8479 18.8479 k = 0.1970 0.1138 0.3218 ( 1618 PWs) bands (ev): 2.1812 2.1812 5.8463 5.8463 5.9055 5.9055 6.1350 6.1350 6.2281 6.2281 6.3117 6.3117 7.6301 7.6301 9.1143 9.1143 10.0972 10.0972 10.7906 10.7906 10.8367 10.8367 11.6149 11.6149 11.9390 11.9390 11.9811 11.9811 12.1924 12.1924 12.2854 12.2854 13.2631 13.2631 13.5225 13.5225 15.2974 15.2974 16.0429 16.0429 17.4443 17.4443 18.8142 18.8142 k = 0.1907 0.1101 0.3114 ( 1612 PWs) bands (ev): 2.1064 2.1064 5.8554 5.8554 5.9065 5.9065 6.1434 6.1434 6.2288 6.2288 6.3083 6.3083 7.6827 7.6827 9.1509 9.1509 10.0566 10.0566 10.8056 10.8056 10.8442 10.8442 11.6444 11.6444 11.9732 11.9732 11.9912 11.9912 12.2285 12.2285 12.2971 12.2971 13.3328 13.3328 13.5646 13.5646 15.3922 15.3922 16.0407 16.0407 17.3878 17.3878 18.7850 18.7850 k = 0.1843 0.1064 0.3010 ( 1612 PWs) bands (ev): 2.0330 2.0330 5.8635 5.8635 5.9076 5.9076 6.1518 6.1518 6.2296 6.2296 6.3050 6.3050 7.7379 7.7379 9.1834 9.1834 10.0156 10.0156 10.8175 10.8175 10.8525 10.8525 11.6755 11.6755 12.0006 12.0006 12.0083 12.0083 12.2660 12.2660 12.3097 12.3097 13.4027 13.4027 13.6116 13.6116 15.4865 15.4865 16.0314 16.0314 17.3446 17.3446 18.7604 18.7604 k = 0.1780 0.1027 0.2906 ( 1624 PWs) bands (ev): 1.9612 1.9612 5.8706 5.8706 5.9088 5.9088 6.1599 6.1599 6.2304 6.2304 6.3019 6.3019 7.7955 7.7955 9.2116 9.2116 9.9743 9.9743 10.8269 10.8269 10.8613 10.8613 11.7078 11.7078 12.0121 12.0121 12.0412 12.0412 12.3019 12.3019 12.3256 12.3256 13.4725 13.4725 13.6635 13.6635 15.5799 15.5799 16.0145 16.0145 17.3154 17.3154 18.7406 18.7406 k = 0.1716 0.0991 0.2802 ( 1624 PWs) bands (ev): 1.8911 1.8911 5.8769 5.8769 5.9101 5.9101 6.1678 6.1678 6.2314 6.2314 6.2990 6.2990 7.8555 7.8555 9.2360 9.2360 9.9331 9.9331 10.8348 10.8348 10.8698 10.8698 11.7412 11.7412 12.0242 12.0242 12.0739 12.0739 12.3268 12.3268 12.3543 12.3543 13.5419 13.5419 13.7214 13.7214 15.6721 15.6721 15.9902 15.9902 17.3004 17.3004 18.7259 18.7259 k = 0.1653 0.0954 0.2699 ( 1624 PWs) bands (ev): 1.8229 1.8229 5.8825 5.8825 5.9116 5.9116 6.1754 6.1754 6.2325 6.2325 6.2962 6.2962 7.9176 7.9176 9.2566 9.2566 9.8920 9.8920 10.8417 10.8417 10.8777 10.8777 11.7752 11.7752 12.0370 12.0370 12.1055 12.1055 12.3435 12.3435 12.3923 12.3923 13.6105 13.6105 13.7856 13.7856 15.7626 15.7626 15.9593 15.9593 17.2991 17.2991 18.7163 18.7163 k = 0.1589 0.0917 0.2595 ( 1620 PWs) bands (ev): 1.7566 1.7566 5.8875 5.8875 5.9131 5.9131 6.1827 6.1827 6.2337 6.2337 6.2936 6.2936 7.9816 7.9816 9.2737 9.2737 9.8513 9.8513 10.8479 10.8479 10.8846 10.8846 11.8096 11.8096 12.0506 12.0506 12.1359 12.1359 12.3597 12.3597 12.4315 12.4315 13.6776 13.6776 13.8566 13.8566 15.8509 15.8509 15.9234 15.9234 17.3103 17.3103 18.7118 18.7118 k = 0.1525 0.0881 0.2491 ( 1618 PWs) bands (ev): 1.6923 1.6923 5.8919 5.8919 5.9147 5.9147 6.1896 6.1896 6.2349 6.2349 6.2912 6.2912 8.0471 8.0471 9.2873 9.2873 9.8109 9.8109 10.8536 10.8536 10.8907 10.8907 11.8443 11.8443 12.0650 12.0650 12.1644 12.1644 12.3769 12.3769 12.4700 12.4700 13.7426 13.7426 13.9345 13.9345 15.8831 15.8831 15.9377 15.9377 17.3328 17.3328 18.7032 18.7032 k = 0.1462 0.0844 0.2387 ( 1618 PWs) bands (ev): 1.6302 1.6302 5.8958 5.8958 5.9162 5.9162 6.1960 6.1960 6.2361 6.2361 6.2889 6.2889 8.1139 8.1139 9.2979 9.2979 9.7712 9.7712 10.8590 10.8590 10.8959 10.8959 11.8785 11.8785 12.0801 12.0801 12.1909 12.1909 12.3957 12.3957 12.5071 12.5071 13.8046 13.8046 14.0198 14.0198 15.8428 15.8428 16.0204 16.0204 17.3649 17.3649 18.6137 18.6137 k = 0.1398 0.0807 0.2283 ( 1618 PWs) bands (ev): 1.5702 1.5702 5.8993 5.8993 5.9177 5.9177 6.2021 6.2021 6.2373 6.2373 6.2868 6.2868 8.1818 8.1818 9.3056 9.3056 9.7321 9.7321 10.8641 10.8641 10.9002 10.9002 11.9124 11.9124 12.0956 12.0956 12.2152 12.2152 12.4163 12.4163 12.5422 12.5422 13.8629 13.8629 14.1125 14.1125 15.8031 15.8031 16.1000 16.1000 17.4048 17.4048 18.5177 18.5177 k = 0.1335 0.0771 0.2180 ( 1618 PWs) bands (ev): 1.5126 1.5126 5.9024 5.9024 5.9192 5.9192 6.2079 6.2079 6.2385 6.2385 6.2848 6.2848 8.2505 8.2505 9.3109 9.3109 9.6938 9.6938 10.8689 10.8689 10.9038 10.9038 11.9456 11.9456 12.1117 12.1117 12.2372 12.2372 12.4388 12.4388 12.5752 12.5752 13.9165 13.9165 14.2125 14.2125 15.7666 15.7666 16.1759 16.1759 17.4511 17.4511 18.4242 18.4242 k = 0.1271 0.0734 0.2076 ( 1618 PWs) bands (ev): 1.4573 1.4573 5.9053 5.9053 5.9206 5.9206 6.2133 6.2133 6.2396 6.2396 6.2830 6.2830 8.3196 8.3196 9.3139 9.3139 9.6565 9.6565 10.8735 10.8735 10.9069 10.9069 11.9779 11.9779 12.1280 12.1280 12.2569 12.2569 12.4629 12.4629 12.6059 12.6059 13.9646 13.9646 14.3194 14.3194 15.7353 15.7353 16.2476 16.2476 17.5021 17.5021 18.3337 18.3337 k = 0.1208 0.0697 0.1972 ( 1612 PWs) bands (ev): 1.4043 1.4043 5.9079 5.9079 5.9219 5.9219 6.2185 6.2185 6.2406 6.2406 6.2815 6.2815 8.3888 8.3888 9.3150 9.3150 9.6201 9.6201 10.8780 10.8780 10.9094 10.9094 12.0093 12.0093 12.1447 12.1447 12.2747 12.2747 12.4885 12.4885 12.6342 12.6342 14.0061 14.0061 14.4329 14.4329 15.7114 15.7114 16.3149 16.3149 17.5563 17.5563 18.2462 18.2462 k = 0.1144 0.0661 0.1868 ( 1612 PWs) bands (ev): 1.3539 1.3539 5.9103 5.9103 5.9231 5.9231 6.2233 6.2233 6.2415 6.2415 6.2800 6.2800 8.4578 8.4578 9.3144 9.3144 9.5850 9.5850 10.8821 10.8821 10.9114 10.9114 12.0393 12.0393 12.1612 12.1612 12.2907 12.2907 12.5152 12.5152 12.6601 12.6601 14.0400 14.0400 14.5526 14.5526 15.6965 15.6965 16.3774 16.3774 17.6122 17.6122 18.1621 18.1621 k = 0.1081 0.0624 0.1764 ( 1612 PWs) bands (ev): 1.3059 1.3059 5.9125 5.9125 5.9241 5.9241 6.2278 6.2278 6.2423 6.2423 6.2788 6.2788 8.5263 8.5263 9.3124 9.3124 9.5511 9.5511 10.8860 10.8860 10.9130 10.9130 12.0681 12.0681 12.1775 12.1775 12.3054 12.3054 12.5425 12.5425 12.6837 12.6837 14.0655 14.0655 14.6780 14.6780 15.6923 15.6923 16.4351 16.4351 17.6680 17.6680 18.0815 18.0815 k = 0.1017 0.0587 0.1661 ( 1608 PWs) bands (ev): 1.2605 1.2605 5.9146 5.9146 5.9251 5.9251 6.2321 6.2321 6.2431 6.2431 6.2777 6.2777 8.5940 8.5940 9.3092 9.3092 9.5185 9.5185 10.8896 10.8896 10.9143 10.9143 12.0954 12.0954 12.1934 12.1934 12.3190 12.3190 12.5702 12.5702 12.7051 12.7051 14.0823 14.0823 14.8085 14.8085 15.6999 15.6999 16.4879 16.4879 17.7221 17.7221 18.0045 18.0045 k = 0.0953 0.0550 0.1557 ( 1608 PWs) bands (ev): 1.2177 1.2177 5.9165 5.9165 5.9259 5.9259 6.2361 6.2361 6.2439 6.2439 6.2767 6.2767 8.6602 8.6602 9.3051 9.3051 9.4874 9.4874 10.8930 10.8930 10.9153 10.9153 12.1213 12.1213 12.2088 12.2088 12.3318 12.3318 12.5977 12.5977 12.7245 12.7245 14.0902 14.0902 14.9435 14.9435 15.7198 15.7198 16.5357 16.5357 17.7720 17.7720 17.9319 17.9319 k = 0.0890 0.0514 0.1453 ( 1617 PWs) bands (ev): 1.1774 1.1774 5.9182 5.9182 5.9266 5.9266 6.2393 6.2393 6.2449 6.2449 6.2759 6.2759 8.7247 8.7247 9.3002 9.3002 9.4576 9.4576 10.8963 10.8963 10.9161 10.9161 12.1457 12.1457 12.2234 12.2234 12.3440 12.3440 12.6245 12.6245 12.7418 12.7418 14.0897 14.0897 15.0823 15.0823 15.7519 15.7519 16.5787 16.5787 17.8119 17.8119 17.8673 17.8673 k = 0.0826 0.0477 0.1349 ( 1621 PWs) bands (ev): 1.1399 1.1399 5.9198 5.9198 5.9272 5.9272 6.2415 6.2415 6.2468 6.2468 6.2752 6.2752 8.7873 8.7873 9.2949 9.2949 9.4297 9.4297 10.8991 10.8991 10.9166 10.9166 12.1683 12.1683 12.2369 12.2369 12.3556 12.3556 12.6512 12.6512 12.7576 12.7576 14.0818 14.0818 15.2244 15.2244 15.7960 15.7960 16.6171 16.6171 17.7883 17.7883 17.8620 17.8620 k = 0.0763 0.0440 0.1246 ( 1623 PWs) bands (ev): 1.1050 1.1050 5.9212 5.9212 5.9277 5.9277 6.2425 6.2425 6.2495 6.2495 6.2746 6.2746 8.8474 8.8474 9.2894 9.2894 9.4033 9.4033 10.9018 10.9018 10.9172 10.9172 12.1895 12.1895 12.2496 12.2496 12.3672 12.3672 12.6764 12.6764 12.7716 12.7716 14.0677 14.0677 15.3691 15.3691 15.8509 15.8509 16.6512 16.6512 17.7294 17.7294 17.8848 17.8848 k = 0.0699 0.0404 0.1142 ( 1623 PWs) bands (ev): 1.0728 1.0728 5.9226 5.9226 5.9281 5.9281 6.2429 6.2429 6.2526 6.2526 6.2741 6.2741 8.9047 8.9047 9.2836 9.2836 9.3789 9.3789 10.9044 10.9044 10.9175 10.9175 12.2091 12.2091 12.2609 12.2609 12.3783 12.3783 12.7008 12.7008 12.7840 12.7840 14.0489 14.0489 15.5154 15.5154 15.9158 15.9158 16.6811 16.6811 17.6724 17.6724 17.8946 17.8946 k = 0.0636 0.0367 0.1038 ( 1629 PWs) bands (ev): 1.0433 1.0433 5.9238 5.9238 5.9284 5.9284 6.2431 6.2431 6.2556 6.2556 6.2736 6.2736 8.9588 8.9588 9.2778 9.2778 9.3563 9.3563 10.9067 10.9067 10.9176 10.9176 12.2270 12.2270 12.2710 12.2710 12.3891 12.3891 12.7236 12.7236 12.7950 12.7950 14.0266 14.0266 15.6627 15.6627 15.9894 15.9894 16.7074 16.7074 17.6193 17.6193 17.8844 17.8844 k = 0.0572 0.0330 0.0934 ( 1629 PWs) bands (ev): 1.0166 1.0166 5.9249 5.9249 5.9287 5.9287 6.2432 6.2432 6.2585 6.2585 6.2733 6.2733 9.0094 9.0094 9.2721 9.2721 9.3357 9.3357 10.9088 10.9088 10.9177 10.9177 12.2433 12.2433 12.2799 12.2799 12.3993 12.3993 12.7450 12.7450 12.8048 12.8048 14.0024 14.0024 15.8100 15.8100 16.0704 16.0704 16.7302 16.7302 17.5705 17.5705 17.8517 17.8517 k = 0.0508 0.0294 0.0830 ( 1641 PWs) bands (ev): 0.9926 0.9926 5.9258 5.9258 5.9288 5.9288 6.2432 6.2432 6.2611 6.2611 6.2729 6.2729 9.0557 9.0557 9.2665 9.2665 9.3171 9.3171 10.9106 10.9106 10.9178 10.9178 12.2579 12.2579 12.2875 12.2875 12.4089 12.4089 12.7645 12.7645 12.8131 12.8131 13.9774 13.9774 15.9560 15.9560 16.1578 16.1578 16.7501 16.7501 17.5261 17.5261 17.8037 17.8037 k = 0.0445 0.0257 0.0727 ( 1641 PWs) bands (ev): 0.9715 0.9715 5.9267 5.9267 5.9290 5.9290 6.2432 6.2432 6.2635 6.2635 6.2727 6.2727 9.0978 9.0978 9.2611 9.2611 9.3007 9.3007 10.9124 10.9124 10.9178 10.9178 12.2710 12.2710 12.2943 12.2943 12.4179 12.4179 12.7823 12.7823 12.8204 12.8204 13.9528 13.9528 16.0995 16.0995 16.2502 16.2502 16.7674 16.7674 17.4862 17.4862 17.7486 17.7486 k = 0.0381 0.0220 0.0623 ( 1639 PWs) bands (ev): 0.9531 0.9531 5.9275 5.9275 5.9292 5.9292 6.2432 6.2432 6.2657 6.2657 6.2725 6.2725 9.1350 9.1350 9.2564 9.2564 9.2866 9.2866 10.9138 10.9138 10.9178 10.9178 12.2825 12.2825 12.2999 12.2999 12.4260 12.4260 12.7981 12.7981 12.8266 12.8266 13.9296 13.9296 16.2385 16.2385 16.3469 16.3469 16.7826 16.7826 17.4507 17.4507 17.6897 17.6897 k = 0.0318 0.0183 0.0519 ( 1641 PWs) bands (ev): 0.9375 0.9375 5.9281 5.9281 5.9293 5.9293 6.2432 6.2432 6.2675 6.2675 6.2723 6.2723 9.1670 9.1670 9.2522 9.2522 9.2748 9.2748 10.9149 10.9149 10.9177 10.9177 12.2922 12.2922 12.3045 12.3045 12.4330 12.4330 12.8117 12.8117 12.8318 12.8318 13.9087 13.9087 16.3696 16.3696 16.4472 16.4472 16.7963 16.7963 17.4194 17.4194 17.6284 17.6284 k = 0.0254 0.0147 0.0415 ( 1639 PWs) bands (ev): 0.9248 0.9248 5.9286 5.9286 5.9294 5.9294 6.2431 6.2431 6.2691 6.2691 6.2721 6.2721 9.1932 9.1932 9.2486 9.2486 9.2655 9.2655 10.9159 10.9159 10.9177 10.9177 12.3002 12.3002 12.3081 12.3081 12.4389 12.4389 12.8230 12.8230 12.8360 12.8360 13.8906 13.8906 16.4865 16.4865 16.5519 16.5519 16.8096 16.8096 17.3914 17.3914 17.5658 17.5658 k = 0.0191 0.0110 0.0311 ( 1639 PWs) bands (ev): 0.9148 0.9148 5.9290 5.9290 5.9294 5.9294 6.2431 6.2431 6.2703 6.2703 6.2720 6.2720 9.2130 9.2130 9.2462 9.2462 9.2586 9.2586 10.9167 10.9167 10.9177 10.9177 12.3064 12.3064 12.3109 12.3109 12.4435 12.4435 12.8318 12.8318 12.8393 12.8393 13.8759 13.8759 16.5825 16.5825 16.6596 16.6596 16.8243 16.8243 17.3642 17.3642 17.5041 17.5041 k = 0.0127 0.0073 0.0208 ( 1639 PWs) bands (ev): 0.9078 0.9078 5.9293 5.9293 5.9295 5.9295 6.2431 6.2431 6.2712 6.2712 6.2720 6.2720 9.2250 9.2250 9.2464 9.2464 9.2542 9.2542 10.9172 10.9172 10.9177 10.9177 12.3109 12.3109 12.3129 12.3129 12.4469 12.4469 12.8382 12.8382 12.8416 12.8416 13.8652 13.8652 16.6535 16.6535 16.7604 16.7604 16.8422 16.8422 17.3322 17.3322 17.4502 17.4502 k = 0.0064 0.0037 0.0104 ( 1639 PWs) bands (ev): 0.9035 0.9035 5.9294 5.9294 5.9295 5.9295 6.2431 6.2431 6.2717 6.2717 6.2719 6.2719 9.2293 9.2293 9.2493 9.2493 9.2517 9.2517 10.9175 10.9175 10.9177 10.9177 12.3136 12.3136 12.3141 12.3141 12.4490 12.4490 12.8421 12.8421 12.8429 12.8429 13.8586 13.8586 16.6954 16.6954 16.8389 16.8389 16.8615 16.8615 17.2941 17.2941 17.4167 17.4167 k = 0.0000 0.0000 0.0000 ( 1639 PWs) bands (ev): 0.9021 0.9021 5.9295 5.9295 5.9295 5.9295 6.2431 6.2431 6.2719 6.2719 6.2719 6.2719 9.2300 9.2300 9.2509 9.2509 9.2509 9.2509 10.9176 10.9176 10.9176 10.9176 12.3145 12.3145 12.3145 12.3145 12.4497 12.4497 12.8434 12.8434 12.8434 12.8434 13.8564 13.8564 16.7086 16.7086 16.8707 16.8707 16.8707 16.8707 17.2741 17.2741 17.4067 17.4067 k = 0.0000 0.0000 0.0000 ( 1639 PWs) bands (ev): 0.9021 0.9021 5.9295 5.9295 5.9295 5.9295 6.2431 6.2431 6.2719 6.2719 6.2719 6.2719 9.2300 9.2300 9.2509 9.2509 9.2509 9.2509 10.9176 10.9176 10.9176 10.9176 12.3145 12.3145 12.3145 12.3145 12.4497 12.4497 12.8434 12.8434 12.8434 12.8434 13.8564 13.8564 16.7086 16.7086 16.8707 16.8707 16.8707 16.8707 17.2741 17.2741 17.4067 17.4067 k = 0.0104 0.0060 0.0043 ( 1639 PWs) bands (ev): 0.9035 0.9035 5.9294 5.9294 5.9295 5.9295 6.2431 6.2431 6.2718 6.2718 6.2719 6.2719 9.2293 9.2293 9.2492 9.2492 9.2518 9.2518 10.9176 10.9176 10.9176 10.9176 12.3136 12.3136 12.3140 12.3140 12.4490 12.4490 12.8425 12.8425 12.8426 12.8426 13.8586 13.8586 16.6953 16.6953 16.8396 16.8396 16.8604 16.8604 17.2946 17.2946 17.4175 17.4175 k = 0.0208 0.0120 0.0085 ( 1639 PWs) bands (ev): 0.9078 0.9078 5.9293 5.9293 5.9294 5.9294 6.2431 6.2431 6.2713 6.2713 6.2719 6.2719 9.2244 9.2244 9.2467 9.2467 9.2545 9.2545 10.9174 10.9174 10.9175 10.9175 12.3109 12.3109 12.3128 12.3128 12.4469 12.4469 12.8397 12.8397 12.8401 12.8401 13.8652 13.8652 16.6501 16.6501 16.7715 16.7715 16.8320 16.8320 17.3386 17.3386 17.4473 17.4473 k = 0.0312 0.0180 0.0128 ( 1639 PWs) bands (ev): 0.9149 0.9149 5.9290 5.9290 5.9294 5.9294 6.2431 6.2431 6.2705 6.2705 6.2718 6.2718 9.2108 9.2108 9.2481 9.2481 9.2589 9.2589 10.9170 10.9170 10.9173 10.9173 12.3065 12.3065 12.3108 12.3108 12.4435 12.4435 12.8351 12.8351 12.8360 12.8360 13.8760 13.8760 16.5626 16.5626 16.7059 16.7059 16.7904 16.7904 17.3876 17.3876 17.4910 17.4910 k = 0.0417 0.0241 0.0170 ( 1639 PWs) bands (ev): 0.9249 0.9249 5.9287 5.9287 5.9293 5.9293 6.2432 6.2432 6.2695 6.2695 6.2717 6.2717 9.1888 9.1888 9.2532 9.2532 9.2651 9.2651 10.9166 10.9166 10.9171 10.9171 12.3003 12.3003 12.3079 12.3079 12.4387 12.4387 12.8286 12.8286 12.8302 12.8302 13.8907 13.8907 16.4423 16.4423 16.6504 16.6504 16.7405 16.7405 17.4382 17.4382 17.5433 17.5433 k = 0.0521 0.0301 0.0213 ( 1642 PWs) bands (ev): 0.9378 0.9378 5.9282 5.9282 5.9292 5.9292 6.2432 6.2432 6.2681 6.2681 6.2716 6.2716 9.1597 9.1597 9.2608 9.2608 9.2730 9.2730 10.9160 10.9160 10.9168 10.9168 12.2921 12.2921 12.3042 12.3042 12.4326 12.4326 12.8203 12.8203 12.8228 12.8228 13.9088 13.9088 16.3064 16.3064 16.5975 16.5975 16.6859 16.6859 17.4899 17.4899 17.6000 17.6000 k = 0.0625 0.0361 0.0255 ( 1642 PWs) bands (ev): 0.9535 0.9535 5.9276 5.9276 5.9290 5.9290 6.2432 6.2432 6.2666 6.2666 6.2715 6.2715 9.1241 9.1241 9.2705 9.2705 9.2826 9.2826 10.9153 10.9153 10.9164 10.9164 12.2825 12.2825 12.2997 12.2997 12.4254 12.4254 12.8103 12.8103 12.8138 12.8138 13.9297 13.9297 16.1635 16.1635 16.5445 16.5445 16.6290 16.6290 17.5415 17.5415 17.6581 17.6581 k = 0.0729 0.0421 0.0298 ( 1642 PWs) bands (ev): 0.9720 0.9720 5.9269 5.9269 5.9289 5.9289 6.2433 6.2433 6.2647 6.2647 6.2714 6.2714 9.0824 9.0824 9.2821 9.2821 9.2940 9.2940 10.9145 10.9145 10.9160 10.9160 12.2711 12.2711 12.2943 12.2943 12.4169 12.4169 12.7986 12.7986 12.8033 12.8033 13.9525 13.9525 16.0179 16.0179 16.4913 16.4913 16.5711 16.5711 17.5914 17.5914 17.7153 17.7153 k = 0.0833 0.0481 0.0340 ( 1636 PWs) bands (ev): 0.9933 0.9933 5.9261 5.9261 5.9287 5.9287 6.2433 6.2433 6.2626 6.2626 6.2713 6.2713 9.0351 9.0351 9.2955 9.2955 9.3070 9.3070 10.9136 10.9136 10.9156 10.9156 12.2579 12.2579 12.2883 12.2883 12.4074 12.4074 12.7853 12.7853 12.7912 12.7912 13.9761 13.9761 15.8727 15.8727 16.4384 16.4384 16.5134 16.5134 17.6379 17.6379 17.7695 17.7695 k = 0.0938 0.0541 0.0383 ( 1630 PWs) bands (ev): 1.0174 1.0174 5.9252 5.9252 5.9286 5.9286 6.2434 6.2434 6.2603 6.2603 6.2713 6.2713 8.9823 8.9823 9.3107 9.3107 9.3217 9.3217 10.9125 10.9125 10.9151 10.9151 12.2431 12.2431 12.2814 12.2814 12.3968 12.3968 12.7704 12.7704 12.7777 12.7777 13.9992 13.9992 15.7301 15.7301 16.3863 16.3863 16.4564 16.4564 17.6794 17.6794 17.8189 17.8189 k = 0.1042 0.0601 0.0425 ( 1612 PWs) bands (ev): 1.0443 1.0443 5.9243 5.9243 5.9284 5.9284 6.2434 6.2434 6.2579 6.2579 6.2714 6.2714 8.9242 8.9242 9.3277 9.3277 9.3382 9.3382 10.9116 10.9116 10.9147 10.9147 12.2267 12.2267 12.2738 12.2738 12.3852 12.3852 12.7543 12.7543 12.7631 12.7631 14.0199 14.0199 15.5927 15.5927 16.3352 16.3352 16.4006 16.4006 17.7148 17.7148 17.8619 17.8619 k = 0.1146 0.0662 0.0468 ( 1612 PWs) bands (ev): 1.0740 1.0740 5.9232 5.9232 5.9280 5.9280 6.2432 6.2432 6.2554 6.2554 6.2713 6.2713 8.8611 8.8611 9.3462 9.3462 9.3560 9.3560 10.9104 10.9104 10.9143 10.9143 12.2087 12.2087 12.2652 12.2652 12.3725 12.3725 12.7363 12.7363 12.7467 12.7467 14.0358 14.0358 15.4633 15.4633 16.2855 16.2855 16.3463 16.3463 17.7428 17.7428 17.8969 17.8969 k = 0.1250 0.0722 0.0510 ( 1612 PWs) bands (ev): 1.1064 1.1064 5.9219 5.9219 5.9276 5.9276 6.2426 6.2426 6.2529 6.2529 6.2714 6.2714 8.7933 8.7933 9.3663 9.3663 9.3755 9.3755 10.9091 10.9091 10.9138 10.9138 12.1892 12.1892 12.2555 12.2555 12.3586 12.3586 12.7172 12.7172 12.7292 12.7292 14.0439 14.0439 15.3452 15.3452 16.2374 16.2374 16.2937 16.2937 17.7628 17.7628 17.9227 17.9227 k = 0.1354 0.0782 0.0553 ( 1618 PWs) bands (ev): 1.1416 1.1416 5.9206 5.9206 5.9271 5.9271 6.2417 6.2417 6.2507 6.2507 6.2714 6.2714 8.7210 8.7210 9.3879 9.3879 9.3963 9.3963 10.9078 10.9078 10.9133 10.9133 12.1685 12.1685 12.2453 12.2453 12.3439 12.3439 12.6965 12.6965 12.7101 12.7101 14.0407 14.0407 15.2420 15.2420 16.1910 16.1910 16.2430 16.2430 17.7745 17.7745 17.9385 17.9385 k = 0.1458 0.0842 0.0595 ( 1621 PWs) bands (ev): 1.1794 1.1794 5.9191 5.9191 5.9265 5.9265 6.2399 6.2399 6.2490 6.2490 6.2716 6.2716 8.6448 8.6448 9.4111 9.4111 9.4186 9.4186 10.9065 10.9065 10.9129 10.9129 12.1466 12.1466 12.2343 12.2343 12.3283 12.3283 12.6744 12.6744 12.6898 12.6898 14.0223 14.0223 15.1575 15.1575 16.1464 16.1464 16.1942 16.1942 17.7778 17.7778 17.9441 17.9441 k = 0.1562 0.0902 0.0638 ( 1621 PWs) bands (ev): 1.2200 1.2200 5.9176 5.9176 5.9258 5.9258 6.2373 6.2373 6.2481 6.2481 6.2718 6.2718 8.5649 8.5649 9.4357 9.4357 9.4424 9.4424 10.9051 10.9051 10.9125 10.9125 12.1237 12.1237 12.2225 12.2225 12.3118 12.3118 12.6514 12.6514 12.6685 12.6685 13.9860 13.9860 15.0947 15.0947 16.1037 16.1037 16.1476 16.1476 17.7728 17.7728 17.9395 17.9395 k = 0.1667 0.0962 0.0680 ( 1627 PWs) bands (ev): 1.2631 1.2631 5.9159 5.9159 5.9250 5.9250 6.2341 6.2341 6.2475 6.2475 6.2720 6.2720 8.4815 8.4815 9.4618 9.4618 9.4674 9.4674 10.9036 10.9036 10.9121 10.9121 12.0996 12.0996 12.2098 12.2098 12.2942 12.2942 12.6272 12.6272 12.6461 12.6461 13.9307 13.9307 15.0545 15.0545 16.0630 16.0630 16.1030 16.1030 17.7600 17.7600 17.9252 17.9252 k = 0.1771 0.1022 0.0723 ( 1615 PWs) bands (ev): 1.3089 1.3089 5.9143 5.9143 5.9241 5.9241 6.2304 6.2304 6.2473 6.2473 6.2725 6.2725 8.3950 8.3950 9.4894 9.4894 9.4940 9.4940 10.9022 10.9022 10.9119 10.9119 12.0750 12.0750 12.1965 12.1965 12.2759 12.2759 12.6024 12.6024 12.6230 12.6230 13.8578 13.8578 15.0354 15.0354 16.0244 16.0244 16.0607 16.0607 17.7399 17.7399 17.9024 17.9024 k = 0.1875 0.1083 0.0765 ( 1615 PWs) bands (ev): 1.3572 1.3572 5.9124 5.9124 5.9229 5.9229 6.2264 6.2264 6.2470 6.2470 6.2730 6.2730 8.3056 8.3056 9.5181 9.5181 9.5216 9.5216 10.9008 10.9008 10.9118 10.9118 12.0499 12.0499 12.1824 12.1824 12.2566 12.2566 12.5764 12.5764 12.5988 12.5988 13.7705 13.7705 15.0338 15.0338 15.9876 15.9876 16.0205 16.0205 17.7132 17.7132 17.8719 17.8719 k = 0.1979 0.1143 0.0808 ( 1618 PWs) bands (ev): 1.4080 1.4080 5.9105 5.9105 5.9215 5.9215 6.2222 6.2222 6.2468 6.2468 6.2735 6.2735 8.2136 8.2136 9.5479 9.5479 9.5502 9.5502 10.8993 10.8993 10.9118 10.9118 12.0243 12.0243 12.1677 12.1677 12.2366 12.2366 12.5495 12.5495 12.5736 12.5736 13.6727 13.6727 15.0460 15.0460 15.9528 15.9528 15.9824 15.9824 17.6809 17.6809 17.8349 17.8349 k = 0.2083 0.1203 0.0851 ( 1618 PWs) bands (ev): 1.4614 1.4614 5.9085 5.9085 5.9199 5.9199 6.2177 6.2177 6.2465 6.2465 6.2742 6.2742 8.1195 8.1195 9.5790 9.5790 9.5801 9.5801 10.8979 10.8979 10.9119 10.9119 11.9984 11.9984 12.1522 12.1522 12.2157 12.2157 12.5220 12.5220 12.5478 12.5478 13.5680 13.5680 15.0680 15.0680 15.9200 15.9200 15.9464 15.9464 17.6437 17.6437 17.7927 17.7927 k = 0.2188 0.1263 0.0893 ( 1618 PWs) bands (ev): 1.5171 1.5171 5.9065 5.9065 5.9179 5.9179 6.2130 6.2130 6.2461 6.2461 6.2749 6.2749 8.0236 8.0236 9.6110 9.6110 9.6113 9.6113 10.8963 10.8963 10.9120 10.9120 11.9722 11.9722 12.1358 12.1358 12.1938 12.1938 12.4939 12.4939 12.5217 12.5217 13.4595 13.4595 15.0968 15.0968 15.8891 15.8891 15.9126 15.9126 17.6027 17.6027 17.7462 17.7462 k = 0.2292 0.1323 0.0936 ( 1618 PWs) bands (ev): 1.5752 1.5752 5.9044 5.9044 5.9155 5.9155 6.2081 6.2081 6.2455 6.2455 6.2757 6.2757 7.9262 7.9262 9.6429 9.6429 9.6446 9.6446 10.8949 10.8949 10.9123 10.9123 11.9461 11.9461 12.1190 12.1190 12.1713 12.1713 12.4652 12.4652 12.4947 12.4947 13.3491 13.3491 15.1302 15.1302 15.8600 15.8600 15.8808 15.8808 17.5585 17.5585 17.6965 17.6965 k = 0.2396 0.1383 0.0978 ( 1624 PWs) bands (ev): 1.6356 1.6356 5.9022 5.9022 5.9125 5.9125 6.2028 6.2028 6.2448 6.2448 6.2766 6.2766 7.8277 7.8277 9.6756 9.6756 9.6787 9.6787 10.8934 10.8934 10.9128 10.9128 11.9200 11.9200 12.1017 12.1017 12.1482 12.1482 12.4357 12.4357 12.4671 12.4671 13.2386 13.2386 15.1663 15.1663 15.8328 15.8328 15.8510 15.8510 17.5119 17.5119 17.6444 17.6444 k = 0.2500 0.1443 0.1021 ( 1624 PWs) bands (ev): 1.6982 1.6982 5.9000 5.9000 5.9090 5.9090 6.1973 6.1973 6.2438 6.2438 6.2776 6.2776 7.7287 7.7287 9.7092 9.7092 9.7139 9.7139 10.8919 10.8919 10.9133 10.9133 11.8941 11.8941 12.0838 12.0838 12.1244 12.1244 12.4060 12.4060 12.4394 12.4394 13.1292 13.1292 15.2038 15.2038 15.8073 15.8073 15.8232 15.8232 17.4637 17.4637 17.5906 17.5906 k = 0.2604 0.1504 0.1063 ( 1627 PWs) bands (ev): 1.7630 1.7630 5.8978 5.8978 5.9046 5.9046 6.1913 6.1913 6.2426 6.2426 6.2787 6.2787 7.6295 7.6295 9.7436 9.7436 9.7498 9.7498 10.8904 10.8904 10.9140 10.9140 11.8682 11.8682 12.0655 12.0655 12.1001 12.1001 12.3758 12.3758 12.4114 12.4114 13.0218 13.0218 15.2418 15.2418 15.7837 15.7837 15.7973 15.7973 17.4145 17.4145 17.5359 17.5359 k = 0.2708 0.1564 0.1106 ( 1636 PWs) bands (ev): 1.8298 1.8298 5.8954 5.8954 5.8992 5.8992 6.1848 6.1848 6.2410 6.2410 6.2798 6.2798 7.5309 7.5309 9.7786 9.7786 9.7865 9.7865 10.8886 10.8886 10.9147 10.9147 11.8428 11.8428 12.0466 12.0466 12.0751 12.0751 12.3453 12.3453 12.3832 12.3832 12.9172 12.9172 15.2795 15.2795 15.7616 15.7616 15.7733 15.7733 17.3647 17.3647 17.4806 17.4806 k = 0.2812 0.1624 0.1148 ( 1636 PWs) bands (ev): 1.8986 1.8986 5.8925 5.8925 5.8932 5.8932 6.1777 6.1777 6.2393 6.2393 6.2810 6.2810 7.4335 7.4335 9.8141 9.8141 9.8238 9.8238 10.8869 10.8869 10.9155 10.9155 11.8180 11.8180 12.0276 12.0276 12.0500 12.0500 12.3145 12.3145 12.3550 12.3550 12.8159 12.8159 15.3164 15.3164 15.7412 15.7412 15.7512 15.7512 17.3149 17.3149 17.4254 17.4254 k = 0.2917 0.1684 0.1191 ( 1633 PWs) bands (ev): 1.9692 1.9692 5.8842 5.8842 5.8909 5.8909 6.1699 6.1699 6.2372 6.2372 6.2823 6.2823 7.3382 7.3382 9.8501 9.8501 9.8616 9.8616 10.8851 10.8851 10.9165 10.9165 11.7938 11.7938 12.0084 12.0084 12.0247 12.0247 12.2834 12.2834 12.3268 12.3268 12.7187 12.7187 15.3522 15.3522 15.7223 15.7223 15.7307 15.7307 17.2654 17.2654 17.3707 17.3707 k = 0.3021 0.1744 0.1233 ( 1633 PWs) bands (ev): 2.0415 2.0415 5.8738 5.8738 5.8887 5.8887 6.1613 6.1613 6.2350 6.2350 6.2836 6.2836 7.2455 7.2455 9.8865 9.8865 9.8998 9.8998 10.8832 10.8832 10.9174 10.9174 11.7701 11.7701 11.9891 11.9891 11.9993 11.9993 12.2519 12.2519 12.2987 12.2987 12.6254 12.6254 15.3864 15.3864 15.7050 15.7050 15.7120 15.7120 17.2167 17.2167 17.3169 17.3169 k = 0.3125 0.1804 0.1276 ( 1633 PWs) bands (ev): 2.1154 2.1154 5.8606 5.8606 5.8865 5.8865 6.1517 6.1517 6.2325 6.2325 6.2849 6.2849 7.1565 7.1565 9.9232 9.9232 9.9384 9.9384 10.8810 10.8810 10.9184 10.9184 11.7471 11.7471 11.9698 11.9698 11.9739 11.9739 12.2200 12.2200 12.2708 12.2708 12.5368 12.5368 15.4189 15.4189 15.6890 15.6890 15.6949 15.6949 17.1689 17.1689 17.2641 17.2641 k = 0.3229 0.1864 0.1318 ( 1634 PWs) bands (ev): 2.1906 2.1906 5.8438 5.8438 5.8844 5.8844 6.1412 6.1412 6.2298 6.2298 6.2863 6.2863 7.0722 7.0722 9.9600 9.9600 9.9772 9.9772 10.8787 10.8787 10.9193 10.9193 11.7247 11.7247 11.9487 11.9487 11.9506 11.9506 12.1875 12.1875 12.2432 12.2432 12.4534 12.4534 15.4495 15.4495 15.6745 15.6745 15.6793 15.6793 17.1225 17.1225 17.2128 17.2128 k = 0.3333 0.1925 0.1361 ( 1634 PWs) bands (ev): 2.2670 2.2670 5.8226 5.8226 5.8823 5.8823 6.1298 6.1298 6.2271 6.2271 6.2876 6.2876 6.9938 6.9938 9.9968 9.9968 10.0160 10.0160 10.8760 10.8760 10.9201 10.9201 11.7030 11.7030 11.9237 11.9237 11.9316 11.9316 12.1541 12.1541 12.2161 12.2161 12.3757 12.3757 15.4782 15.4782 15.6612 15.6612 15.6652 15.6652 17.0777 17.0777 17.1632 17.1632 k = 0.3438 0.1985 0.1403 ( 1634 PWs) bands (ev): 2.3444 2.3444 5.7960 5.7960 5.8802 5.8802 6.1180 6.1180 6.2244 6.2244 6.2890 6.2890 6.9221 6.9221 10.0335 10.0335 10.0548 10.0548 10.8730 10.8730 10.9207 10.9207 11.6821 11.6821 11.8992 11.8992 11.9130 11.9130 12.1194 12.1194 12.1895 12.1895 12.3046 12.3046 15.5049 15.5049 15.6492 15.6492 15.6525 15.6525 17.0346 17.0346 17.1156 17.1156 k = 0.3542 0.2045 0.1446 ( 1634 PWs) bands (ev): 2.4223 2.4223 5.7630 5.7630 5.8783 5.8783 6.1060 6.1060 6.2218 6.2218 6.2903 6.2903 6.8579 6.8579 10.0699 10.0699 10.0933 10.0933 10.8696 10.8696 10.9211 10.9211 11.6618 11.6618 11.8754 11.8754 11.8949 11.8949 12.0827 12.0827 12.1636 12.1636 12.2408 12.2408 15.5295 15.5295 15.6383 15.6383 15.6411 15.6411 16.9934 16.9934 17.0700 17.0700 k = 0.3646 0.2105 0.1488 ( 1634 PWs) bands (ev): 2.5007 2.5007 5.7232 5.7232 5.8764 5.8764 6.0945 6.0945 6.2193 6.2193 6.2916 6.2916 6.8017 6.8017 10.1060 10.1060 10.1314 10.1314 10.8657 10.8657 10.9212 10.9212 11.6424 11.6424 11.8522 11.8522 11.8775 11.8775 12.0435 12.0435 12.1384 12.1384 12.1853 12.1853 15.5521 15.5521 15.6286 15.6286 15.6310 15.6310 16.9544 16.9544 17.0268 17.0268 k = 0.3750 0.2165 0.1531 ( 1634 PWs) bands (ev): 2.5789 2.5789 5.6764 5.6764 5.8746 5.8746 6.0838 6.0838 6.2170 6.2170 6.2929 6.2929 6.7534 6.7534 10.1414 10.1414 10.1689 10.1689 10.8614 10.8614 10.9209 10.9209 11.6237 11.6237 11.8300 11.8300 11.8608 11.8608 12.0020 12.0020 12.1141 12.1141 12.1381 12.1381 15.5727 15.5727 15.6199 15.6199 15.6220 15.6220 16.9177 16.9177 16.9860 16.9860 k = 0.3854 0.2225 0.1573 ( 1634 PWs) bands (ev): 2.6567 2.6567 5.6233 5.6233 5.8729 5.8729 6.0742 6.0742 6.2149 6.2149 6.2941 6.2941 6.7129 6.7129 10.1761 10.1761 10.2056 10.2056 10.8565 10.8565 10.9201 10.9201 11.6058 11.6058 11.8087 11.8087 11.8450 11.8450 11.9593 11.9593 12.0909 12.0909 12.0983 12.0983 15.5913 15.5913 15.6124 15.6124 15.6142 15.6142 16.8835 16.8835 16.9479 16.9479 k = 0.3958 0.2285 0.1616 ( 1640 PWs) bands (ev): 2.7333 2.7333 5.5649 5.5649 5.8714 5.8714 6.0658 6.0658 6.2130 6.2130 6.2952 6.2952 6.6793 6.6793 10.2097 10.2097 10.2412 10.2412 10.8511 10.8511 10.9188 10.9188 11.5887 11.5887 11.7885 11.7885 11.8302 11.8302 11.9172 11.9172 12.0645 12.0645 12.0687 12.0687 15.6037 15.6037 15.6073 15.6073 15.6100 15.6100 16.8517 16.8517 16.9126 16.9126 k = 0.4062 0.2345 0.1659 ( 1631 PWs) bands (ev): 2.8082 2.8082 5.5029 5.5029 5.8700 5.8700 6.0588 6.0588 6.2113 6.2113 6.2963 6.2963 6.6520 6.6520 10.2421 10.2421 10.2755 10.2755 10.8454 10.8454 10.9171 10.9171 11.5728 11.5728 11.7695 11.7695 11.8167 11.8167 11.8775 11.8775 12.0354 12.0354 12.0480 12.0480 15.5990 15.5990 15.6014 15.6014 15.6238 15.6238 16.8227 16.8227 16.8803 16.8803 k = 0.4167 0.2406 0.1701 ( 1628 PWs) bands (ev): 2.8805 2.8805 5.4391 5.4391 5.8687 5.8687 6.0530 6.0530 6.2099 6.2099 6.2973 6.2973 6.6299 6.6299 10.2730 10.2730 10.3081 10.3081 10.8389 10.8389 10.9147 10.9147 11.5576 11.5576 11.7517 11.7517 11.8043 11.8043 11.8415 11.8415 12.0101 12.0101 12.0289 12.0289 15.5940 15.5940 15.5964 15.5964 15.6369 15.6369 16.7964 16.7964 16.8509 16.8509 k = 0.4271 0.2466 0.1744 ( 1622 PWs) bands (ev): 2.9494 2.9494 5.3754 5.3754 5.8676 5.8676 6.0482 6.0482 6.2086 6.2086 6.2982 6.2982 6.6124 6.6124 10.3020 10.3020 10.3387 10.3387 10.8321 10.8321 10.9117 10.9117 11.5438 11.5438 11.7349 11.7349 11.7934 11.7934 11.8100 11.8100 11.9880 11.9880 12.0114 12.0114 15.5897 15.5897 15.5921 15.5921 15.6483 15.6483 16.7731 16.7731 16.8248 16.8248 k = 0.4375 0.2526 0.1786 ( 1622 PWs) bands (ev): 3.0135 3.0135 5.3140 5.3140 5.8666 5.8666 6.0442 6.0442 6.2076 6.2076 6.2989 6.2989 6.5985 6.5985 10.3288 10.3288 10.3669 10.3669 10.8251 10.8251 10.9082 10.9082 11.5311 11.5311 11.7191 11.7191 11.7835 11.7835 11.7837 11.7837 11.9687 11.9687 11.9957 11.9957 15.5860 15.5860 15.5886 15.5886 15.6582 15.6582 16.7526 16.7526 16.8018 16.8018 k = 0.4479 0.2586 0.1829 ( 1622 PWs) bands (ev): 3.0717 3.0717 5.2569 5.2569 5.8657 5.8657 6.0411 6.0411 6.2067 6.2067 6.2996 6.2996 6.5877 6.5877 10.3528 10.3528 10.3921 10.3921 10.8181 10.8181 10.9045 10.9045 11.5199 11.5199 11.7044 11.7044 11.7624 11.7624 11.7756 11.7756 11.9523 11.9523 11.9821 11.9821 15.5830 15.5830 15.5858 15.5858 15.6664 15.6664 16.7352 16.7352 16.7823 16.7823 k = 0.4583 0.2646 0.1871 ( 1628 PWs) bands (ev): 3.1224 3.1224 5.2063 5.2063 5.8649 5.8649 6.0386 6.0386 6.2060 6.2060 6.3001 6.3001 6.5794 6.5794 10.3735 10.3735 10.4137 10.4137 10.8115 10.8115 10.9007 10.9007 11.5103 11.5103 11.6910 11.6910 11.7463 11.7463 11.7689 11.7689 11.9387 11.9387 11.9705 11.9705 15.5806 15.5806 15.5835 15.5835 15.6731 15.6731 16.7208 16.7208 16.7662 16.7662 k = 0.4688 0.2706 0.1914 ( 1634 PWs) bands (ev): 3.1641 3.1641 5.1642 5.1642 5.8644 5.8644 6.0368 6.0368 6.2054 6.2054 6.3005 6.3005 6.5733 6.5733 10.3906 10.3906 10.4314 10.4314 10.8057 10.8057 10.8973 10.8973 11.5025 11.5025 11.6797 11.6797 11.7346 11.7346 11.7636 11.7636 11.9279 11.9279 11.9614 11.9614 15.5787 15.5787 15.5818 15.5818 15.6782 15.6782 16.7096 16.7096 16.7536 16.7536 k = 0.4792 0.2766 0.1956 ( 1628 PWs) bands (ev): 3.1953 3.1953 5.1325 5.1325 5.8640 5.8640 6.0356 6.0356 6.2051 6.2051 6.3009 6.3009 6.5692 6.5692 10.4033 10.4033 10.4445 10.4445 10.8011 10.8011 10.8945 10.8945 11.4969 11.4969 11.6713 11.6713 11.7268 11.7268 11.7600 11.7600 11.9204 11.9204 11.9549 11.9549 15.5774 15.5774 15.5806 15.5806 15.6819 15.6819 16.7016 16.7016 16.7445 16.7445 k = 0.4896 0.2827 0.1999 ( 1622 PWs) bands (ev): 3.2146 3.2146 5.1128 5.1128 5.8638 5.8638 6.0349 6.0349 6.2048 6.2048 6.3011 6.3011 6.5669 6.5669 10.4111 10.4111 10.4526 10.4526 10.7981 10.7981 10.8926 10.8926 11.4937 11.4937 11.6662 11.6662 11.7224 11.7224 11.7578 11.7578 11.9158 11.9158 11.9509 11.9509 15.5767 15.5767 15.5799 15.5799 15.6841 15.6841 16.6967 16.6967 16.7391 16.7391 k = 0.5000 0.2887 0.2041 ( 1622 PWs) bands (ev): 3.2211 3.2211 5.1061 5.1061 5.8637 5.8637 6.0347 6.0347 6.2048 6.2048 6.3012 6.3012 6.5661 6.5661 10.4138 10.4138 10.4554 10.4554 10.7971 10.7971 10.8920 10.8920 11.4926 11.4926 11.6645 11.6645 11.7209 11.7209 11.7571 11.7571 11.9143 11.9143 11.9496 11.9496 15.5764 15.5764 15.5797 15.5797 15.6848 15.6848 16.6951 16.6951 16.7373 16.7373 k = 0.5000 0.2887 0.2041 ( 1622 PWs) bands (ev): 3.2211 3.2211 5.1061 5.1061 5.8637 5.8637 6.0347 6.0347 6.2048 6.2048 6.3012 6.3012 6.5661 6.5661 10.4138 10.4138 10.4554 10.4554 10.7971 10.7971 10.8920 10.8920 11.4926 11.4926 11.6645 11.6645 11.7209 11.7209 11.7571 11.7571 11.9143 11.9143 11.9496 11.9496 15.5764 15.5764 15.5797 15.5797 15.6848 15.6848 16.6951 16.6951 16.7373 16.7373 k = 0.5037 0.2781 0.2101 ( 1622 PWs) bands (ev): 3.2218 3.2218 5.1073 5.1073 5.8638 5.8638 6.0350 6.0350 6.2048 6.2048 6.3014 6.3014 6.5663 6.5663 10.4109 10.4109 10.4525 10.4525 10.7961 10.7961 10.8907 10.8907 11.4938 11.4938 11.6646 11.6646 11.7203 11.7203 11.7569 11.7569 11.9161 11.9161 11.9509 11.9509 15.5021 15.5021 15.5636 15.5636 15.7507 15.7507 16.7053 16.7053 16.7480 16.7480 k = 0.5074 0.2674 0.2161 ( 1633 PWs) bands (ev): 3.2240 3.2240 5.1109 5.1109 5.8639 5.8639 6.0359 6.0359 6.2047 6.2047 6.3020 6.3020 6.5668 6.5668 10.4007 10.4007 10.4453 10.4453 10.7925 10.7925 10.8871 10.8871 11.4971 11.4971 11.6648 11.6648 11.7182 11.7182 11.7568 11.7568 11.9214 11.9214 11.9546 11.9546 15.3832 15.3832 15.5225 15.5225 15.8383 15.8383 16.7281 16.7281 16.7869 16.7869 k = 0.5110 0.2568 0.2221 ( 1633 PWs) bands (ev): 3.2275 3.2275 5.1169 5.1169 5.8643 5.8643 6.0374 6.0374 6.2046 6.2046 6.3030 6.3030 6.5677 6.5677 10.3802 10.3802 10.4379 10.4379 10.7853 10.7853 10.8830 10.8830 11.5022 11.5022 11.6646 11.6646 11.7145 11.7145 11.7584 11.7584 11.9296 11.9296 11.9608 11.9608 15.2561 15.2561 15.4605 15.4605 15.9118 15.9118 16.7594 16.7594 16.8561 16.8561 k = 0.5147 0.2462 0.2281 ( 1632 PWs) bands (ev): 3.2325 3.2325 5.1253 5.1253 5.8648 5.8648 6.0396 6.0396 6.2045 6.2045 6.3046 6.3046 6.5689 6.5689 10.3481 10.3481 10.4316 10.4316 10.7730 10.7730 10.8801 10.8801 11.5079 11.5079 11.6633 11.6633 11.7099 11.7099 11.7630 11.7630 11.9397 11.9397 11.9691 11.9691 15.1254 15.1254 15.3835 15.3835 15.9656 15.9656 16.8052 16.8052 16.9470 16.9470 k = 0.5184 0.2356 0.2341 ( 1630 PWs) bands (ev): 3.2389 3.2389 5.1361 5.1361 5.8654 5.8654 6.0424 6.0424 6.2045 6.2045 6.3066 6.3066 6.5706 6.5706 10.3054 10.3054 10.4261 10.4261 10.7546 10.7546 10.8801 10.8801 11.5131 11.5131 11.6599 11.6599 11.7059 11.7059 11.7707 11.7707 11.9511 11.9511 11.9794 11.9794 14.9932 14.9932 15.2966 15.2966 15.9987 15.9987 16.8687 16.8687 17.0532 17.0532 k = 0.5221 0.2250 0.2401 ( 1628 PWs) bands (ev): 3.2466 3.2466 5.1491 5.1491 5.8662 5.8662 6.0458 6.0458 6.2044 6.2044 6.3091 6.3091 6.5727 6.5727 10.2536 10.2536 10.4207 10.4207 10.7303 10.7303 10.8830 10.8830 11.5168 11.5168 11.6533 11.6533 11.7049 11.7049 11.7813 11.7813 11.9630 11.9630 11.9914 11.9914 14.8613 14.8613 15.2035 15.2035 16.0133 16.0133 16.9495 16.9495 17.1704 17.1704 k = 0.5257 0.2144 0.2461 ( 1626 PWs) bands (ev): 3.2556 3.2556 5.1644 5.1644 5.8671 5.8671 6.0498 6.0498 6.2043 6.2043 6.3121 6.3121 6.5752 6.5752 10.1935 10.1935 10.4152 10.4152 10.7011 10.7011 10.8885 10.8885 11.5181 11.5181 11.6434 11.6434 11.7080 11.7080 11.7941 11.7941 11.9750 11.9750 12.0047 12.0047 14.7307 14.7307 15.1067 15.1067 16.0135 16.0135 17.0450 17.0450 17.2959 17.2959 k = 0.5294 0.2038 0.2522 ( 1626 PWs) bands (ev): 3.2660 3.2660 5.1819 5.1819 5.8680 5.8680 6.0544 6.0544 6.2043 6.2043 6.3158 6.3158 6.5781 6.5781 10.1259 10.1259 10.4094 10.4094 10.6679 10.6679 10.8962 10.8962 11.5166 11.5166 11.6311 11.6311 11.7148 11.7148 11.8083 11.8083 11.9871 11.9871 12.0189 12.0189 14.6027 14.6027 15.0078 15.0078 16.0037 16.0037 17.1523 17.1523 17.4278 17.4278 k = 0.5331 0.1932 0.2582 ( 1623 PWs) bands (ev): 3.2776 3.2776 5.2016 5.2016 5.8691 5.8691 6.0595 6.0595 6.2042 6.2042 6.3200 6.3200 6.5817 6.5817 10.0514 10.0514 10.4034 10.4034 10.6319 10.6319 10.9056 10.9056 11.5125 11.5125 11.6173 11.6173 11.7246 11.7246 11.8238 11.8238 11.9989 11.9989 12.0338 12.0338 14.4780 14.4780 14.9083 14.9083 15.9874 15.9874 17.2687 17.2687 17.5650 17.5650 k = 0.5368 0.1825 0.2642 ( 1622 PWs) bands (ev): 3.2903 3.2903 5.2233 5.2233 5.8702 5.8702 6.0650 6.0650 6.2043 6.2043 6.3250 6.3250 6.5858 6.5858 9.9704 9.9704 10.3970 10.3970 10.5936 10.5936 10.9162 10.9162 11.5062 11.5062 11.6025 11.6025 11.7363 11.7363 11.8398 11.8398 12.0103 12.0103 12.0489 12.0489 14.3573 14.3573 14.8089 14.8089 15.9673 15.9673 17.3925 17.3925 17.7065 17.7065 k = 0.5404 0.1719 0.2702 ( 1620 PWs) bands (ev): 3.3043 3.3043 5.2470 5.2470 5.8714 5.8714 6.0710 6.0710 6.2044 6.2044 6.3306 6.3306 6.5905 6.5905 9.8834 9.8834 10.3905 10.3905 10.5538 10.5538 10.9281 10.9281 11.4980 11.4980 11.5873 11.5873 11.7491 11.7491 11.8561 11.8561 12.0214 12.0214 12.0641 12.0641 14.2413 14.2413 14.7103 14.7103 15.9450 15.9450 17.5224 17.5224 17.8515 17.8515 k = 0.5441 0.1613 0.2762 ( 1622 PWs) bands (ev): 3.3192 3.3192 5.2724 5.2724 5.8726 5.8726 6.0774 6.0774 6.2045 6.2045 6.3371 6.3371 6.5960 6.5960 9.7908 9.7908 10.3835 10.3835 10.5131 10.5131 10.9408 10.9408 11.4884 11.4884 11.5718 11.5718 11.7624 11.7624 11.8723 11.8723 12.0319 12.0319 12.0791 12.0791 14.1304 14.1304 14.6129 14.6129 15.9219 15.9219 17.6576 17.6576 17.9998 17.9998 k = 0.5478 0.1507 0.2822 ( 1624 PWs) bands (ev): 3.3352 3.3352 5.2996 5.2996 5.8738 5.8738 6.0841 6.0841 6.2049 6.2049 6.3444 6.3444 6.6022 6.6022 9.6930 9.6930 10.3762 10.3762 10.4721 10.4721 10.9543 10.9543 11.4778 11.4778 11.5563 11.5563 11.7755 11.7755 11.8881 11.8881 12.0419 12.0419 12.0936 12.0936 14.0251 14.0251 14.5172 14.5172 15.8988 15.8988 17.7976 17.7976 18.1507 18.1507 k = 0.5515 0.1401 0.2882 ( 1624 PWs) bands (ev): 3.3521 3.3521 5.3283 5.3283 5.8751 5.8751 6.0911 6.0911 6.2055 6.2055 6.3527 6.3527 6.6093 6.6093 9.5904 9.5904 10.3679 10.3679 10.4319 10.4319 10.9685 10.9685 11.4665 11.4665 11.5409 11.5409 11.7881 11.7881 11.9032 11.9032 12.0513 12.0513 12.1078 12.1078 13.9259 13.9259 14.4235 14.4235 15.8762 15.8762 17.9419 17.9419 18.3040 18.3040 k = 0.5551 0.1295 0.2942 ( 1618 PWs) bands (ev): 3.3699 3.3699 5.3584 5.3584 5.8764 5.8764 6.0982 6.0982 6.2064 6.2064 6.3620 6.3620 6.6175 6.6175 9.4835 9.4835 10.3564 10.3564 10.3951 10.3951 10.9834 10.9834 11.4546 11.4546 11.5259 11.5259 11.8001 11.8001 11.9175 11.9175 12.0599 12.0599 12.1213 12.1213 13.8328 13.8328 14.3321 14.3321 15.8544 15.8544 18.0904 18.0904 18.4595 18.4595 k = 0.5588 0.1189 0.3002 ( 1614 PWs) bands (ev): 3.3883 3.3883 5.3896 5.3896 5.8778 5.8778 6.1055 6.1055 6.2076 6.2076 6.3724 6.3724 6.6268 6.6268 9.3725 9.3725 10.3332 10.3332 10.3704 10.3704 10.9987 10.9987 11.4423 11.4423 11.5114 11.5114 11.8111 11.8111 11.9307 11.9307 12.0677 12.0677 12.1341 12.1341 13.7461 13.7461 14.2431 14.2431 15.8336 15.8336 18.2427 18.2427 18.6168 18.6168 k = 0.5625 0.1083 0.3062 ( 1617 PWs) bands (ev): 3.4074 3.4074 5.4217 5.4217 5.8792 5.8792 6.1127 6.1127 6.2091 6.2091 6.3840 6.3840 6.6375 6.6375 9.2581 9.2581 10.2979 10.2979 10.3583 10.3583 11.0144 11.0144 11.4296 11.4296 11.4973 11.4973 11.8210 11.8210 11.9424 11.9424 12.0746 12.0746 12.1461 12.1461 13.6659 13.6659 14.1566 14.1566 15.8139 15.8139 18.3985 18.3985 18.7756 18.7756 k = 0.5662 0.0976 0.3122 ( 1617 PWs) bands (ev): 3.4270 3.4270 5.4543 5.4543 5.8808 5.8808 6.1197 6.1197 6.2111 6.2111 6.3968 6.3968 6.6496 6.6496 9.1405 9.1405 10.2598 10.2598 10.3500 10.3500 11.0305 11.0305 11.4166 11.4166 11.4839 11.4839 11.8298 11.8298 11.9525 11.9525 12.0806 12.0806 12.1574 12.1574 13.5922 13.5922 14.0731 14.0731 15.7954 15.7954 18.5576 18.5576 18.9357 18.9357 k = 0.5699 0.0870 0.3182 ( 1621 PWs) bands (ev): 3.4469 3.4469 5.4873 5.4873 5.8825 5.8825 6.1264 6.1264 6.2137 6.2137 6.4110 6.4110 6.6634 6.6634 9.0202 9.0202 10.2217 10.2217 10.3427 10.3427 11.0468 11.0468 11.4034 11.4034 11.4712 11.4712 11.8375 11.8375 11.9608 11.9608 12.0854 12.0854 12.1678 12.1678 13.5250 13.5250 13.9926 13.9926 15.7781 15.7781 18.7195 18.7195 19.0967 19.0967 k = 0.5735 0.0764 0.3242 ( 1625 PWs) bands (ev): 3.4671 3.4671 5.5203 5.5203 5.8844 5.8844 6.1328 6.1328 6.2169 6.2169 6.4266 6.4266 6.6791 6.6791 8.8978 8.8978 10.1844 10.1844 10.3358 10.3358 11.0632 11.0632 11.3901 11.3901 11.4592 11.4592 11.8441 11.8441 11.9671 11.9671 12.0893 12.0893 12.1777 12.1777 13.4642 13.4642 13.9153 13.9153 15.7620 15.7620 18.8836 18.8836 19.2584 19.2584 k = 0.5772 0.0658 0.3302 ( 1627 PWs) bands (ev): 3.4874 3.4874 5.5528 5.5528 5.8866 5.8866 6.1388 6.1388 6.2206 6.2206 6.4437 6.4437 6.6970 6.6970 8.7737 8.7737 10.1483 10.1483 10.3291 10.3291 11.0797 11.0797 11.3767 11.3767 11.4480 11.4480 11.8496 11.8496 11.9714 11.9714 12.0921 12.0921 12.1870 12.1870 13.4100 13.4100 13.8413 13.8413 15.7470 15.7470 19.0491 19.0491 19.4204 19.4204 k = 0.5809 0.0552 0.3362 ( 1629 PWs) bands (ev): 3.5076 3.5076 5.5844 5.5844 5.8891 5.8891 6.1443 6.1443 6.2250 6.2250 6.4624 6.4624 6.7175 6.7175 8.6484 8.6484 10.1136 10.1136 10.3225 10.3225 11.0963 11.0963 11.3634 11.3634 11.4376 11.4376 11.8539 11.8539 11.9735 11.9735 12.0937 12.0937 12.1957 12.1957 13.3618 13.3618 13.7708 13.7708 15.7330 15.7330 19.2144 19.2144 19.5822 19.5822 k = 0.5846 0.0446 0.3422 ( 1625 PWs) bands (ev): 3.5275 3.5275 5.6147 5.6147 5.8922 5.8922 6.1493 6.1493 6.2299 6.2299 6.4827 6.4827 6.7407 6.7407 8.5223 8.5223 10.0804 10.0804 10.3159 10.3159 11.1127 11.1127 11.3505 11.3505 11.4280 11.4280 11.8573 11.8573 11.9735 11.9735 12.0943 12.0943 12.2040 12.2040 13.3195 13.3195 13.7040 13.7040 15.7201 15.7201 19.3763 19.3763 19.7433 19.7433 k = 0.5882 0.0340 0.3482 ( 1627 PWs) bands (ev): 3.5471 3.5471 5.6432 5.6432 5.8959 5.8959 6.1539 6.1539 6.2353 6.2353 6.5045 6.5045 6.7672 6.7672 8.3960 8.3960 10.0488 10.0488 10.3093 10.3093 11.1286 11.1286 11.3379 11.3379 11.4190 11.4190 11.8597 11.8597 11.9714 11.9714 12.0937 12.0937 12.2119 12.2119 13.2829 13.2829 13.6409 13.6409 15.7081 15.7081 19.5271 19.5271 19.9029 19.9029 k = 0.5919 0.0233 0.3542 ( 1623 PWs) bands (ev): 3.5659 3.5659 5.6696 5.6696 5.9004 5.9004 6.1581 6.1581 6.2410 6.2410 6.5278 6.5278 6.7971 6.7971 8.2700 8.2700 10.0189 10.0189 10.3026 10.3026 11.1440 11.1440 11.3261 11.3261 11.4107 11.4107 11.8612 11.8612 11.9674 11.9674 12.0920 12.0920 12.2197 12.2197 13.2516 13.2516 13.5816 13.5816 15.6970 15.6970 19.6439 19.6439 20.0578 20.0578 k = 0.5956 0.0127 0.3602 ( 1627 PWs) bands (ev): 3.5839 3.5839 5.6934 5.6934 5.9055 5.9055 6.1621 6.1621 6.2469 6.2469 6.5524 6.5524 6.8309 6.8309 8.1448 8.1448 9.9907 9.9907 10.2956 10.2956 11.1583 11.1583 11.3153 11.3153 11.4030 11.4030 11.8619 11.8619 11.9616 11.9616 12.0893 12.0893 12.2271 12.2271 13.2250 13.2250 13.5261 13.5261 15.6866 15.6866 19.6735 19.6735 20.1505 20.1505 k = 0.5993 0.0021 0.3662 ( 1628 PWs) bands (ev): 3.6009 3.6009 5.7143 5.7143 5.9115 5.9115 6.1659 6.1659 6.2528 6.2528 6.5782 6.5782 6.8689 6.8689 8.0209 8.0209 9.9644 9.9644 10.2885 10.2885 11.1709 11.1709 11.3063 11.3063 11.3958 11.3958 11.8620 11.8620 11.9544 11.9544 12.0856 12.0856 12.2343 12.2343 13.2028 13.2028 13.4746 13.4746 15.6770 15.6770 19.6002 19.6002 20.2461 20.2461 k = 0.6029-0.0085 0.3722 ( 1630 PWs) bands (ev): 3.6165 3.6165 5.7323 5.7323 5.9182 5.9182 6.1696 6.1696 6.2588 6.2588 6.6050 6.6050 6.9112 6.9112 7.8989 7.8989 9.9400 9.9400 10.2811 10.2811 11.1809 11.1809 11.2998 11.2998 11.3893 11.3893 11.8615 11.8615 11.9459 11.9459 12.0811 12.0811 12.2413 12.2413 13.1847 13.1847 13.4271 13.4271 15.6680 15.6680 19.4792 19.4792 20.3856 20.3856 k = 0.6066-0.0191 0.3782 ( 1634 PWs) bands (ev): 3.6305 3.6305 5.7474 5.7474 5.9254 5.9254 6.1733 6.1733 6.2645 6.2645 6.6326 6.6326 6.9581 6.9581 7.7795 7.7795 9.9175 9.9175 10.2733 10.2733 11.1873 11.1873 11.2967 11.2967 11.3834 11.3834 11.8606 11.8606 11.9366 11.9366 12.0759 12.0759 12.2480 12.2480 13.1701 13.1701 13.3834 13.3834 15.6596 15.6596 19.3432 19.3432 20.5366 20.5366 k = 0.6103-0.0297 0.3842 ( 1634 PWs) bands (ev): 3.6427 3.6427 5.7599 5.7599 5.9328 5.9328 6.1770 6.1770 6.2701 6.2701 6.6606 6.6606 7.0097 7.0097 7.6633 7.6633 9.8969 9.8969 10.2650 10.2650 11.1893 11.1893 11.2975 11.2975 11.3783 11.3783 11.8594 11.8594 11.9270 11.9270 12.0704 12.0704 12.2547 12.2547 13.1587 13.1587 13.3435 13.3435 15.6516 15.6516 19.2031 19.2031 20.6847 20.6847 k = 0.6140-0.0403 0.3902 ( 1636 PWs) bands (ev): 3.6528 3.6528 5.7700 5.7700 5.9400 5.9400 6.1807 6.1807 6.2753 6.2753 6.6885 6.6885 7.0659 7.0659 7.5515 7.5515 9.8782 9.8782 10.2562 10.2562 11.1870 11.1870 11.3015 11.3015 11.3744 11.3744 11.8580 11.8580 11.9173 11.9173 12.0648 12.0648 12.2612 12.2612 13.1501 13.1501 13.3074 13.3074 15.6441 15.6441 19.0626 19.0626 20.8215 20.8215 k = 0.6176-0.0509 0.3962 ( 1632 PWs) bands (ev): 3.6605 3.6605 5.7783 5.7783 5.9468 5.9468 6.1845 6.1845 6.2803 6.2803 6.7157 6.7157 7.1266 7.1266 7.4451 7.4451 9.8615 9.8615 10.2469 10.2469 11.1816 11.1816 11.3069 11.3069 11.3724 11.3724 11.8560 11.8560 11.9086 11.9086 12.0595 12.0595 12.2676 12.2676 13.1440 13.1440 13.2749 13.2749 15.6370 15.6370 18.9236 18.9236 20.9426 20.9426 k = 0.6213-0.0616 0.4022 ( 1632 PWs) bands (ev): 3.6655 3.6655 5.7850 5.7850 5.9526 5.9526 6.1882 6.1882 6.2848 6.2848 6.7407 6.7407 7.1916 7.1916 7.3460 7.3460 9.8467 9.8467 10.2367 10.2367 11.1741 11.1741 11.3115 11.3115 11.3733 11.3733 11.8525 11.8525 11.9018 11.9018 12.0548 12.0548 12.2738 12.2738 13.1398 13.1398 13.2458 13.2458 15.6301 15.6301 18.7868 18.7868 21.0466 21.0466 k = 0.6250-0.0722 0.4082 ( 1624 PWs) bands (ev): 3.6674 3.6674 5.7905 5.7905 5.9573 5.9573 6.1921 6.1921 6.2890 6.2890 6.7614 6.7614 7.2525 7.2525 7.2653 7.2653 9.8337 9.8337 10.2259 10.2259 11.1655 11.1655 11.3136 11.3136 11.3780 11.3780 11.8470 11.8470 11.8984 11.8984 12.0512 12.0512 12.2800 12.2800 13.1374 13.1374 13.2200 13.2200 15.6235 15.6235 18.6529 18.6529 21.1340 21.1340 k = 0.6250-0.0722 0.4082 ( 1624 PWs) bands (ev): 3.6674 3.6674 5.7905 5.7905 5.9573 5.9573 6.1921 6.1921 6.2890 6.2890 6.7614 6.7614 7.2525 7.2525 7.2653 7.2653 9.8337 9.8337 10.2259 10.2259 11.1655 11.1655 11.3136 11.3136 11.3780 11.3780 11.8470 11.8470 11.8984 11.8984 12.0512 12.0512 12.2800 12.2800 13.1374 13.1374 13.2200 13.2200 15.6235 15.6235 18.6529 18.6529 21.1340 21.1340 k = 0.6188-0.0686 0.4185 ( 1631 PWs) bands (ev): 3.6678 3.6678 5.7906 5.7906 5.9571 5.9571 6.1922 6.1922 6.2885 6.2885 6.7620 6.7620 7.2539 7.2539 7.2663 7.2663 9.8128 9.8128 10.2416 10.2416 11.1656 11.1656 11.3134 11.3134 11.3782 11.3782 11.8465 11.8465 11.8978 11.8978 12.0512 12.0512 12.2801 12.2801 13.1372 13.1372 13.2183 13.2183 15.6330 15.6330 18.6544 18.6544 21.0168 21.0168 k = 0.6125-0.0650 0.4287 ( 1631 PWs) bands (ev): 3.6688 3.6688 5.7911 5.7911 5.9565 5.9565 6.1928 6.1928 6.2874 6.2874 6.7639 6.7639 7.2580 7.2580 7.2695 7.2695 9.7579 9.7579 10.2813 10.2813 11.1661 11.1661 11.3132 11.3132 11.3793 11.3793 11.8449 11.8449 11.8961 11.8961 12.0514 12.0514 12.2804 12.2804 13.1366 13.1366 13.2135 13.2135 15.6617 15.6617 18.6588 18.6588 20.8436 20.8436 k = 0.6062-0.0613 0.4389 ( 1633 PWs) bands (ev): 3.6706 3.6706 5.7919 5.7919 5.9556 5.9556 6.1937 6.1937 6.2856 6.2856 6.7669 6.7669 7.2644 7.2644 7.2754 7.2754 9.6818 9.6818 10.3323 10.3323 11.1669 11.1669 11.3126 11.3126 11.3812 11.3812 11.8424 11.8424 11.8934 11.8934 12.0519 12.0519 12.2808 12.2808 13.1356 13.1356 13.2059 13.2059 15.7087 15.7087 18.6662 18.6662 20.6664 20.6664 k = 0.6000-0.0577 0.4491 ( 1629 PWs) bands (ev): 3.6730 3.6730 5.7930 5.7930 5.9544 5.9544 6.1950 6.1950 6.2832 6.2832 6.7712 6.7712 7.2721 7.2721 7.2848 7.2848 9.5927 9.5927 10.3868 10.3868 11.1682 11.1682 11.3116 11.3116 11.3841 11.3841 11.8390 11.8390 11.8897 11.8897 12.0525 12.0525 12.2815 12.2815 13.1342 13.1342 13.1961 13.1961 15.7733 15.7733 18.6767 18.6767 20.4898 20.4898 k = 0.5938-0.0541 0.4593 ( 1627 PWs) bands (ev): 3.6760 3.6760 5.7943 5.7943 5.9529 5.9529 6.1965 6.1965 6.2802 6.2802 6.7764 6.7764 7.2808 7.2808 7.2981 7.2981 9.4949 9.4949 10.4406 10.4406 11.1697 11.1697 11.3101 11.3101 11.3881 11.3881 11.8345 11.8345 11.8850 11.8850 12.0534 12.0534 12.2824 12.2824 13.1325 13.1325 13.1846 13.1846 15.8541 15.8541 18.6905 18.6905 20.3149 20.3149 k = 0.5875-0.0505 0.4695 ( 1631 PWs) bands (ev): 3.6797 3.6797 5.7958 5.7958 5.9513 5.9513 6.1982 6.1982 6.2767 6.2767 6.7825 6.7825 7.2907 7.2907 7.3152 7.3152 9.3909 9.3909 10.4921 10.4921 11.1714 11.1714 11.3078 11.3078 11.3933 11.3933 11.8292 11.8292 11.8792 11.8792 12.0543 12.0543 12.2834 12.2834 13.1302 13.1302 13.1723 13.1723 15.9500 15.9500 18.7075 18.7075 20.1420 20.1420 k = 0.5813-0.0469 0.4797 ( 1631 PWs) bands (ev): 3.6838 3.6838 5.7975 5.7975 5.9497 5.9497 6.2001 6.2001 6.2729 6.2729 6.7894 6.7894 7.3021 7.3021 7.3357 7.3357 9.2821 9.2821 10.5402 10.5402 11.1735 11.1735 11.3048 11.3048 11.3997 11.3997 11.8230 11.8230 11.8727 11.8727 12.0554 12.0554 12.2844 12.2844 13.1274 13.1274 13.1598 13.1598 16.0593 16.0593 18.7281 18.7281 19.9716 19.9716 k = 0.5750-0.0433 0.4899 ( 1626 PWs) bands (ev): 3.6885 3.6885 5.7993 5.7993 5.9481 5.9481 6.2021 6.2021 6.2688 6.2688 6.7970 6.7970 7.3151 7.3151 7.3595 7.3595 9.1698 9.1698 10.5847 10.5847 11.1758 11.1758 11.3013 11.3013 11.4075 11.4075 11.8162 11.8162 11.8655 11.8655 12.0566 12.0566 12.2854 12.2854 13.1237 13.1237 13.1482 13.1482 16.1808 16.1808 18.7526 18.7526 19.8038 19.8038 k = 0.5687-0.0397 0.5001 ( 1626 PWs) bands (ev): 3.6935 3.6935 5.8010 5.8010 5.9466 5.9466 6.2041 6.2041 6.2647 6.2647 6.8050 6.8050 7.3299 7.3299 7.3864 7.3864 9.0546 9.0546 10.6252 10.6252 11.1784 11.1784 11.2971 11.2971 11.4162 11.4162 11.8086 11.8086 11.8576 11.8576 12.0579 12.0579 12.2865 12.2865 13.1188 13.1188 13.1381 13.1381 16.3128 16.3128 18.7811 18.7811 19.6388 19.6388 k = 0.5625-0.0361 0.5103 ( 1622 PWs) bands (ev): 3.6989 3.6989 5.8028 5.8028 5.9453 5.9453 6.2061 6.2061 6.2605 6.2605 6.8135 6.8135 7.3465 7.3465 7.4163 7.4163 8.9375 8.9375 10.6619 10.6619 11.1811 11.1811 11.2925 11.2925 11.4259 11.4259 11.8004 11.8004 11.8491 11.8491 12.0594 12.0594 12.2876 12.2876 13.1122 13.1122 13.1304 13.1304 16.4538 16.4538 18.8141 18.8141 19.4769 19.4769 k = 0.5563-0.0325 0.5205 ( 1630 PWs) bands (ev): 3.7044 3.7044 5.8043 5.8043 5.9441 5.9441 6.2079 6.2079 6.2564 6.2564 6.8221 6.8221 7.3650 7.3650 7.4492 7.4492 8.8191 8.8191 10.6946 10.6946 11.1840 11.1840 11.2875 11.2875 11.4362 11.4362 11.7916 11.7916 11.8403 11.8403 12.0606 12.0606 12.2885 12.2885 13.1046 13.1046 13.1245 13.1245 16.6022 16.6022 18.8518 18.8518 19.3183 19.3183 k = 0.5500-0.0289 0.5307 ( 1632 PWs) bands (ev): 3.7100 3.7100 5.8058 5.8058 5.9433 5.9433 6.2095 6.2095 6.2526 6.2526 6.8308 6.8308 7.3853 7.3853 7.4849 7.4849 8.7003 8.7003 10.7236 10.7236 11.1870 11.1870 11.2824 11.2824 11.4469 11.4469 11.7827 11.7827 11.8312 11.8312 12.0621 12.0621 12.2894 12.2894 13.0971 13.0971 13.1199 13.1199 16.7565 16.7565 18.8942 18.8942 19.1641 19.1641 k = 0.5437-0.0253 0.5409 ( 1627 PWs) bands (ev): 3.7157 3.7157 5.8071 5.8071 5.9428 5.9428 6.2110 6.2110 6.2491 6.2491 6.8395 6.8395 7.4074 7.4074 7.5235 7.5235 8.5816 8.5816 10.7489 10.7489 11.1901 11.1901 11.2773 11.2773 11.4580 11.4580 11.7738 11.7738 11.8221 11.8221 12.0637 12.0637 12.2902 12.2902 13.0907 13.0907 13.1158 13.1158 16.9148 16.9148 18.9324 18.9324 19.0240 19.0240 k = 0.5375-0.0217 0.5511 ( 1627 PWs) bands (ev): 3.7211 3.7211 5.8082 5.8082 5.9425 5.9425 6.2121 6.2121 6.2461 6.2461 6.8479 6.8479 7.4313 7.4313 7.5647 7.5647 8.4640 8.4640 10.7707 10.7707 11.1932 11.1932 11.2724 11.2724 11.4689 11.4689 11.7650 11.7650 11.8131 11.8131 12.0651 12.0651 12.2909 12.2909 13.0854 13.0854 13.1118 13.1118 17.0753 17.0753 18.8482 18.8482 19.0176 19.0176 k = 0.5312-0.0180 0.5613 ( 1627 PWs) bands (ev): 3.7263 3.7263 5.8090 5.8090 5.9425 5.9425 6.2129 6.2129 6.2437 6.2437 6.8560 6.8560 7.4567 7.4567 7.6085 7.6085 8.3483 8.3483 10.7889 10.7889 11.1962 11.1962 11.2679 11.2679 11.4793 11.4793 11.7569 11.7569 11.8043 11.8043 12.0664 12.0664 12.2913 12.2913 13.0815 13.0815 13.1080 13.1080 17.2356 17.2356 18.7071 18.7071 19.0810 19.0810 k = 0.5250-0.0144 0.5715 ( 1626 PWs) bands (ev): 3.7309 3.7309 5.8097 5.8097 5.9427 5.9427 6.2134 6.2134 6.2418 6.2418 6.8634 6.8634 7.4833 7.4833 7.6547 7.6547 8.2357 8.2357 10.8037 10.8037 11.1991 11.1991 11.2639 11.2639 11.4887 11.4887 11.7499 11.7499 11.7959 11.7959 12.0676 12.0676 12.2916 12.2916 13.0789 13.0789 13.1043 13.1043 17.3933 17.3933 18.5670 18.5670 19.1581 19.1581 k = 0.5188-0.0108 0.5818 ( 1622 PWs) bands (ev): 3.7349 3.7349 5.8102 5.8102 5.9431 5.9431 6.2136 6.2136 6.2405 6.2405 6.8700 6.8700 7.5103 7.5103 7.7033 7.7033 8.1277 8.1277 10.8152 10.8152 11.2016 11.2016 11.2606 11.2606 11.4968 11.4968 11.7445 11.7445 11.7881 11.7881 12.0686 12.0686 12.2919 12.2919 13.0777 13.0777 13.1008 13.1008 17.5451 17.5451 18.4318 18.4318 19.2481 19.2481 k = 0.5125-0.0072 0.5920 ( 1628 PWs) bands (ev): 3.7380 3.7380 5.8104 5.8104 5.9434 5.9434 6.2135 6.2135 6.2396 6.2396 6.8754 6.8754 7.5361 7.5361 7.7537 7.7537 8.0271 8.0271 10.8233 10.8233 11.2034 11.2034 11.2581 11.2581 11.5028 11.5028 11.7411 11.7411 11.7812 11.7812 12.0693 12.0693 12.2920 12.2920 13.0775 13.0775 13.0976 13.0976 17.6856 17.6856 18.3049 18.3049 19.3519 19.3519 k = 0.5062-0.0036 0.6022 ( 1628 PWs) bands (ev): 3.7401 3.7401 5.8105 5.8105 5.9436 5.9436 6.2134 6.2134 6.2392 6.2392 6.8791 6.8791 7.5575 7.5575 7.8048 7.8048 7.9392 7.9392 10.8281 10.8281 11.2047 11.2047 11.2565 11.2565 11.5065 11.5065 11.7398 11.7398 11.7761 11.7761 12.0698 12.0698 12.2920 12.2920 13.0779 13.0779 13.0952 13.0952 17.8028 17.8028 18.1969 18.1969 19.4705 19.4705 k = 0.5000-0.0000 0.6124 ( 1628 PWs) bands (ev): 3.7408 3.7408 5.8106 5.8106 5.9438 5.9438 6.2133 6.2133 6.2391 6.2391 6.8805 6.8805 7.5672 7.5672 7.8411 7.8411 7.8879 7.8879 10.8297 10.8297 11.2051 11.2051 11.2560 11.2560 11.5077 11.5077 11.7397 11.7397 11.7740 11.7740 12.0699 12.0699 12.2920 12.2920 13.0783 13.0783 13.0942 13.0942 17.8569 17.8569 18.1462 18.1462 19.5846 19.5846 k = 0.5000-0.0000 0.6124 ( 1628 PWs) bands (ev): 3.7408 3.7408 5.8106 5.8106 5.9438 5.9438 6.2133 6.2133 6.2391 6.2391 6.8805 6.8805 7.5672 7.5672 7.8411 7.8411 7.8879 7.8879 10.8297 10.8297 11.2051 11.2051 11.2560 11.2560 11.5077 11.5077 11.7397 11.7397 11.7740 11.7740 12.0699 12.0699 12.2920 12.2920 13.0783 13.0783 13.0942 13.0942 17.8569 17.8569 18.1462 18.1462 19.5846 19.5846 k = 0.5000 0.0074 0.6019 ( 1628 PWs) bands (ev): 3.7398 3.7398 5.8103 5.8103 5.9432 5.9432 6.2131 6.2131 6.2390 6.2390 6.8772 6.8772 7.5430 7.5430 7.8563 7.8563 7.9053 7.9053 10.8286 10.8286 11.2059 11.2059 11.2564 11.2564 11.5048 11.5048 11.7416 11.7416 11.7762 11.7762 12.0699 12.0699 12.2916 12.2916 13.0792 13.0792 13.0952 13.0952 17.8501 17.8501 18.1408 18.1408 19.5930 19.5930 k = 0.5000 0.0148 0.5914 ( 1628 PWs) bands (ev): 3.7369 3.7369 5.8095 5.8095 5.9416 5.9416 6.2124 6.2124 6.2386 6.2386 6.8674 6.8674 7.4869 7.4869 7.8827 7.8827 7.9604 7.9604 10.8251 10.8251 11.2079 11.2079 11.2573 11.2573 11.4965 11.4965 11.7466 11.7466 11.7829 11.7829 12.0698 12.0698 12.2906 12.2906 13.0818 13.0818 13.0980 13.0980 17.8302 17.8302 18.1251 18.1251 19.6177 19.6177 k = 0.5000 0.0222 0.5810 ( 1626 PWs) bands (ev): 3.7320 3.7320 5.8082 5.8082 5.9389 5.9389 6.2112 6.2112 6.2379 6.2379 6.8520 6.8520 7.4188 7.4188 7.9142 7.9142 8.0384 8.0384 10.8196 10.8196 11.2111 11.2111 11.2590 11.2590 11.4841 11.4841 11.7538 11.7538 11.7937 11.7937 12.0696 12.0696 12.2889 12.2889 13.0863 13.0863 13.1030 13.1030 17.7984 17.7984 18.1000 18.1000 19.6573 19.6573 k = 0.5000 0.0296 0.5705 ( 1622 PWs) bands (ev): 3.7252 3.7252 5.8060 5.8060 5.9352 5.9352 6.2097 6.2097 6.2370 6.2370 6.8317 6.8317 7.3477 7.3477 7.9537 7.9537 8.1264 8.1264 10.8123 10.8123 11.2151 11.2151 11.2612 11.2612 11.4691 11.4691 11.7623 11.7623 11.8079 11.8079 12.0696 12.0696 12.2865 12.2865 13.0926 13.0926 13.1102 13.1102 17.7563 17.7563 18.0668 18.0668 19.7100 19.7100 k = 0.5000 0.0370 0.5600 ( 1624 PWs) bands (ev): 3.7166 3.7166 5.8029 5.8029 5.9306 5.9306 6.2077 6.2077 6.2357 6.2357 6.8077 6.8077 7.2770 7.2770 8.0013 8.0013 8.2197 8.2197 10.8033 10.8033 11.2192 11.2192 11.2641 11.2641 11.4528 11.4528 11.7720 11.7720 11.8242 11.8242 12.0695 12.0695 12.2834 12.2834 13.1007 13.1007 13.1197 13.1197 17.7057 17.7057 18.0269 18.0269 19.7740 19.7740 k = 0.5000 0.0444 0.5496 ( 1624 PWs) bands (ev): 3.7062 3.7062 5.7986 5.7986 5.9253 5.9253 6.2052 6.2052 6.2342 6.2342 6.7810 6.7810 7.2086 7.2086 8.0562 8.0562 8.3162 8.3162 10.7930 10.7930 11.2229 11.2229 11.2677 11.2677 11.4365 11.4365 11.7828 11.7828 11.8414 11.8414 12.0697 12.0697 12.2796 12.2796 13.1110 13.1110 13.1318 13.1318 17.6485 17.6485 17.9818 17.9818 19.8474 19.8474 k = 0.5000 0.0518 0.5391 ( 1626 PWs) bands (ev): 3.6942 3.6942 5.7927 5.7927 5.9195 5.9195 6.2024 6.2024 6.2325 6.2325 6.7525 6.7525 7.1433 7.1433 8.1175 8.1175 8.4150 8.4150 10.7817 10.7817 11.2252 11.2252 11.2720 11.2720 11.4214 11.4214 11.7945 11.7945 11.8584 11.8584 12.0704 12.0704 12.2752 12.2752 13.1233 13.1233 13.1468 13.1468 17.5862 17.5862 17.9329 17.9329 19.9288 19.9288 k = 0.5000 0.0592 0.5286 ( 1624 PWs) bands (ev): 3.6807 3.6807 5.7848 5.7848 5.9136 5.9136 6.1992 6.1992 6.2305 6.2305 6.7228 6.7228 7.0817 7.0817 8.1844 8.1844 8.5153 8.5153 10.7697 10.7697 11.2251 11.2251 11.2772 11.2772 11.4087 11.4087 11.8069 11.8069 11.8745 11.8745 12.0716 12.0716 12.2701 12.2701 13.1382 13.1382 13.1651 13.1651 17.5203 17.5203 17.8813 17.8813 20.0172 20.0172 k = 0.5000 0.0666 0.5182 ( 1626 PWs) bands (ev): 3.6657 3.6657 5.7744 5.7744 5.9079 5.9079 6.1955 6.1955 6.2284 6.2284 6.6926 6.6926 7.0243 7.0243 8.2561 8.2561 8.6166 8.6166 10.7571 10.7571 11.2216 11.2216 11.2834 11.2834 11.3992 11.3992 11.8198 11.8198 11.8886 11.8886 12.0737 12.0737 12.2644 12.2644 13.1557 13.1557 13.1868 13.1868 17.4520 17.4520 17.8278 17.8278 20.1113 20.1113 k = 0.5000 0.0740 0.5077 ( 1630 PWs) bands (ev): 3.6496 3.6496 5.7613 5.7613 5.9026 5.9026 6.1914 6.1914 6.2261 6.2261 6.6623 6.6623 6.9713 6.9713 8.3319 8.3319 8.7186 8.7186 10.7442 10.7442 11.2144 11.2144 11.2904 11.2904 11.3937 11.3937 11.8330 11.8330 11.9004 11.9004 12.0766 12.0766 12.2581 12.2581 13.1761 13.1761 13.2123 13.2123 17.3820 17.3820 17.7732 17.7732 20.2104 20.2104 k = 0.5000 0.0814 0.4972 ( 1628 PWs) bands (ev): 3.6322 3.6322 5.7451 5.7451 5.8980 5.8980 6.1870 6.1870 6.2239 6.2239 6.6324 6.6324 6.9229 6.9229 8.4113 8.4113 8.8208 8.8208 10.7313 10.7313 11.2036 11.2036 11.2985 11.2985 11.3921 11.3921 11.8460 11.8460 11.9093 11.9093 12.0805 12.0805 12.2512 12.2512 13.1999 13.1999 13.2420 13.2420 17.3112 17.3112 17.7182 17.7182 20.3136 20.3136 k = 0.5000 0.0888 0.4868 ( 1630 PWs) bands (ev): 3.6139 3.6139 5.7258 5.7258 5.8941 5.8941 6.1821 6.1821 6.2215 6.2215 6.6031 6.6031 6.8790 6.8790 8.4938 8.4938 8.9230 8.9230 10.7185 10.7185 11.1897 11.1897 11.3072 11.3072 11.3939 11.3939 11.8585 11.8585 11.9153 11.9153 12.0851 12.0851 12.2436 12.2436 13.2273 13.2273 13.2761 13.2761 17.2401 17.2401 17.6632 17.6632 20.4197 20.4197 k = 0.5000 0.0962 0.4763 ( 1622 PWs) bands (ev): 3.5948 3.5948 5.7036 5.7036 5.8910 5.8910 6.1769 6.1769 6.2193 6.2193 6.5748 6.5748 6.8396 6.8396 8.5789 8.5789 9.0248 9.0248 10.7059 10.7059 11.1736 11.1736 11.3167 11.3167 11.3988 11.3988 11.8702 11.8702 11.9184 11.9184 12.0901 12.0901 12.2356 12.2356 13.2586 13.2586 13.3151 13.3151 17.1694 17.1694 17.6087 17.6087 20.5274 20.5274 k = 0.5000 0.1036 0.4658 ( 1630 PWs) bands (ev): 3.5750 3.5750 5.6786 5.6786 5.8884 5.8884 6.1711 6.1711 6.2171 6.2171 6.5477 6.5477 6.8044 6.8044 8.6661 8.6661 9.1258 9.1258 10.6935 10.6935 11.1558 11.1558 11.3267 11.3267 11.4057 11.4057 11.8806 11.8806 11.9187 11.9187 12.0950 12.0950 12.2269 12.2269 13.2937 13.2937 13.3589 13.3589 17.0992 17.0992 17.5548 17.5548 20.6335 20.6335 k = 0.5000 0.1110 0.4554 ( 1628 PWs) bands (ev): 3.5547 3.5547 5.6512 5.6512 5.8863 5.8863 6.1651 6.1651 6.2151 6.2151 6.5219 6.5219 6.7733 6.7733 8.7552 8.7552 9.2258 9.2258 10.6817 10.6817 11.1373 11.1373 11.3372 11.3372 11.4144 11.4144 11.8894 11.8894 11.9170 11.9170 12.0995 12.0995 12.2179 12.2179 13.3333 13.3333 13.4082 13.4082 17.0300 17.0300 17.5019 17.5019 20.7239 20.7239 k = 0.5000 0.1184 0.4449 ( 1634 PWs) bands (ev): 3.5340 3.5340 5.6217 5.6217 5.8847 5.8847 6.1586 6.1586 6.2131 6.2131 6.4977 6.4977 6.7458 6.7458 8.8458 8.8458 9.3246 9.3246 10.6703 10.6703 11.1182 11.1182 11.3482 11.3482 11.4242 11.4242 11.8957 11.8957 11.9140 11.9140 12.1028 12.1028 12.2082 12.2082 13.3775 13.3775 13.4632 13.4632 16.9621 16.9621 17.4502 17.4502 20.7228 20.7228 k = 0.5000 0.1258 0.4344 ( 1632 PWs) bands (ev): 3.5131 3.5131 5.5907 5.5907 5.8833 5.8833 6.1518 6.1518 6.2114 6.2114 6.4752 6.4752 6.7216 6.7216 8.9375 8.9375 9.4217 9.4217 10.6597 10.6597 11.0990 11.0990 11.3596 11.3596 11.4351 11.4351 11.8973 11.8973 11.9120 11.9120 12.1049 12.1049 12.1982 12.1982 13.4265 13.4265 13.5239 13.5239 16.8956 16.8956 17.3999 17.3999 20.5964 20.5964 k = 0.5000 0.1332 0.4240 ( 1630 PWs) bands (ev): 3.4921 3.4921 5.5584 5.5584 5.8821 5.8821 6.1448 6.1448 6.2099 6.2099 6.4544 6.4544 6.7004 6.7004 9.0300 9.0300 9.5168 9.5168 10.6498 10.6498 11.0800 11.0800 11.3715 11.3715 11.4468 11.4468 11.8927 11.8927 11.9127 11.9127 12.1054 12.1054 12.1878 12.1878 13.4802 13.4802 13.5905 13.5905 16.8308 16.8308 17.3510 17.3510 20.4082 20.4082 k = 0.5000 0.1406 0.4135 ( 1634 PWs) bands (ev): 3.4712 3.4712 5.5254 5.5254 5.8810 5.8810 6.1374 6.1374 6.2086 6.2086 6.4353 6.4353 6.6818 6.6818 9.1228 9.1228 9.6097 9.6097 10.6407 10.6407 11.0612 11.0612 11.3838 11.3838 11.4592 11.4592 11.8843 11.8843 11.9135 11.9135 12.1040 12.1040 12.1769 12.1769 13.5388 13.5388 13.6630 13.6630 16.7678 16.7678 17.3037 17.3037 20.1950 20.1950 k = 0.5000 0.1480 0.4030 ( 1634 PWs) bands (ev): 3.4505 3.4505 5.4920 5.4920 5.8800 5.8800 6.1299 6.1299 6.2075 6.2075 6.4180 6.4180 6.6656 6.6656 9.2158 9.2158 9.7000 9.7000 10.6325 10.6325 11.0429 11.0429 11.3963 11.3963 11.4721 11.4721 11.8741 11.8741 11.9130 11.9130 12.1010 12.1010 12.1658 12.1658 13.6025 13.6025 13.7416 13.7416 16.7067 16.7067 17.2580 17.2580 19.9716 19.9716 k = 0.5000 0.1554 0.3925 ( 1628 PWs) bands (ev): 3.4301 3.4301 5.4586 5.4586 5.8790 5.8790 6.1223 6.1223 6.2066 6.2066 6.4024 6.4024 6.6513 6.6513 9.3085 9.3085 9.7873 9.7873 10.6255 10.6255 11.0251 11.0251 11.4092 11.4092 11.4856 11.4856 11.8624 11.8624 11.9107 11.9107 12.0963 12.0963 12.1543 12.1543 13.6712 13.6712 13.8261 13.8261 16.6477 16.6477 17.2141 17.2141 19.7444 19.7444 k = 0.5000 0.1628 0.3821 ( 1628 PWs) bands (ev): 3.4101 3.4101 5.4255 5.4255 5.8779 5.8779 6.1146 6.1146 6.2058 6.2058 6.3883 6.3883 6.6389 6.6389 9.4006 9.4006 9.8713 9.8713 10.6196 10.6196 11.0079 11.0079 11.4222 11.4222 11.4995 11.4995 11.8496 11.8496 11.9065 11.9065 12.0899 12.0899 12.1423 12.1423 13.7449 13.7449 13.9163 13.9163 16.5907 16.5907 17.1720 17.1720 19.5165 19.5165 k = 0.5000 0.1702 0.3716 ( 1624 PWs) bands (ev): 3.3907 3.3907 5.3931 5.3931 5.8769 5.8769 6.1070 6.1070 6.2053 6.2053 6.3757 6.3757 6.6280 6.6280 9.4918 9.4918 9.9515 9.9515 10.6153 10.6153 10.9916 10.9916 11.4352 11.4352 11.5136 11.5136 11.8358 11.8358 11.9005 11.9005 12.0821 12.0821 12.1300 12.1300 13.8236 13.8236 14.0121 14.0121 16.5360 16.5360 17.1316 17.1316 19.2897 19.2897 k = 0.5000 0.1776 0.3611 ( 1620 PWs) bands (ev): 3.3719 3.3719 5.3615 5.3615 5.8759 5.8759 6.0994 6.0994 6.2048 6.2048 6.3645 6.3645 6.6184 6.6184 9.5816 9.5816 10.0276 10.0276 10.6127 10.6127 10.9759 10.9759 11.4481 11.4481 11.5281 11.5281 11.8211 11.8211 11.8926 11.8926 12.0731 12.0731 12.1173 12.1173 13.9074 13.9074 14.1132 14.1132 16.4834 16.4834 17.0931 17.0931 19.0650 19.0650 k = 0.5000 0.1850 0.3507 ( 1624 PWs) bands (ev): 3.3539 3.3539 5.3311 5.3311 5.8748 5.8748 6.0920 6.0920 6.2045 6.2045 6.3546 6.3546 6.6101 6.6101 9.6696 9.6696 10.0986 10.0986 10.6122 10.6122 10.9610 10.9610 11.4607 11.4607 11.5428 11.5428 11.8057 11.8057 11.8832 11.8832 12.0629 12.0629 12.1040 12.1040 13.9960 13.9960 14.2190 14.2190 16.4331 16.4331 17.0563 17.0563 18.8431 18.8431 k = 0.5000 0.1925 0.3402 ( 1614 PWs) bands (ev): 3.3368 3.3368 5.3021 5.3021 5.8737 5.8737 6.0849 6.0849 6.2043 6.2043 6.3458 6.3458 6.6029 6.6029 9.7556 9.7556 10.1641 10.1641 10.6145 10.6145 10.9471 10.9471 11.4730 11.4730 11.5578 11.5578 11.7901 11.7901 11.8724 11.8724 12.0520 12.0520 12.0904 12.0904 14.0897 14.0897 14.3295 14.3295 16.3850 16.3850 17.0213 17.0213 18.6249 18.6249 k = 0.5000 0.1999 0.3297 ( 1622 PWs) bands (ev): 3.3205 3.3205 5.2746 5.2746 5.8725 5.8725 6.0781 6.0781 6.2041 6.2041 6.3381 6.3381 6.5965 6.5965 9.8389 9.8389 10.2230 10.2230 10.6199 10.6199 10.9340 10.9340 11.4845 11.4845 11.5727 11.5727 11.7741 11.7741 11.8603 11.8603 12.0403 12.0403 12.0763 12.0763 14.1881 14.1881 14.4437 14.4437 16.3390 16.3390 16.9880 16.9880 18.4109 18.4109 k = 0.5000 0.2073 0.3193 ( 1620 PWs) bands (ev): 3.3054 3.3054 5.2488 5.2488 5.8714 5.8714 6.0716 6.0716 6.2041 6.2041 6.3313 6.3313 6.5909 6.5909 9.9193 9.9193 10.2745 10.2745 10.6295 10.6295 10.9221 10.9221 11.4950 11.4950 11.5876 11.5876 11.7584 11.7584 11.8472 11.8472 12.0281 12.0281 12.0619 12.0619 14.2914 14.2914 14.5613 14.5613 16.2949 16.2949 16.9564 16.9564 18.2018 18.2018 k = 0.5000 0.2147 0.3088 ( 1618 PWs) bands (ev): 3.2913 3.2913 5.2248 5.2248 5.8702 5.8702 6.0655 6.0655 6.2041 6.2041 6.3255 6.3255 6.5861 6.5861 9.9961 9.9961 10.3177 10.3177 10.6436 10.6436 10.9112 10.9112 11.5040 11.5040 11.6024 11.6024 11.7435 11.7435 11.8336 11.8336 12.0156 12.0156 12.0474 12.0474 14.3993 14.3993 14.6812 14.6812 16.2525 16.2525 16.9262 16.9262 17.9984 17.9984 k = 0.5000 0.2221 0.2983 ( 1620 PWs) bands (ev): 3.2783 3.2783 5.2029 5.2029 5.8691 5.8691 6.0598 6.0598 6.2041 6.2041 6.3204 6.3204 6.5819 6.5819 10.0689 10.0689 10.3522 10.3522 10.6624 10.6624 10.9015 10.9015 11.5112 11.5112 11.6168 11.6168 11.7300 11.7300 11.8196 11.8196 12.0028 12.0028 12.0328 12.0328 14.5116 14.5116 14.8025 14.8025 16.2112 16.2112 16.8975 16.8975 17.8015 17.8015 k = 0.5000 0.2295 0.2879 ( 1630 PWs) bands (ev): 3.2666 3.2666 5.1829 5.1829 5.8681 5.8681 6.0546 6.0546 6.2042 6.2042 6.3160 6.3160 6.5783 6.5783 10.1371 10.1371 10.3785 10.3785 10.6848 10.6848 10.8931 10.8931 11.5158 11.5158 11.6304 11.6304 11.7186 11.7186 11.8057 11.8057 11.9898 11.9898 12.0183 12.0183 14.6282 14.6282 14.9237 14.9237 16.1704 16.1704 16.8699 16.8699 17.6125 17.6125 k = 0.5000 0.2369 0.2774 ( 1630 PWs) bands (ev): 3.2561 3.2561 5.1652 5.1652 5.8671 5.8671 6.0500 6.0500 6.2043 6.2043 6.3123 6.3123 6.5753 6.5753 10.2000 10.2000 10.3978 10.3978 10.7094 10.7094 10.8865 10.8865 11.5177 11.5177 11.6426 11.6426 11.7105 11.7105 11.7925 11.7925 11.9769 11.9769 12.0045 12.0045 14.7486 14.7486 15.0434 15.0434 16.1291 16.1291 16.8434 16.8434 17.4329 17.4329 k = 0.5000 0.2443 0.2669 ( 1628 PWs) bands (ev): 3.2469 3.2469 5.1497 5.1497 5.8662 5.8662 6.0460 6.0460 6.2044 6.2044 6.3092 6.3092 6.5728 6.5728 10.2568 10.2568 10.4117 10.4117 10.7338 10.7338 10.8818 10.8818 11.5168 11.5168 11.6527 11.6527 11.7064 11.7064 11.7805 11.7805 11.9641 11.9641 11.9915 11.9915 14.8725 14.8725 15.1593 15.1593 16.0858 16.0858 16.8179 16.8179 17.2650 17.2650 k = 0.5000 0.2517 0.2565 ( 1630 PWs) bands (ev): 3.2391 3.2391 5.1365 5.1365 5.8654 5.8654 6.0425 6.0425 6.2045 6.2045 6.3067 6.3067 6.5707 6.5707 10.3066 10.3066 10.4220 10.4220 10.7556 10.7556 10.8795 10.8795 11.5132 11.5132 11.6595 11.6595 11.7066 11.7066 11.7704 11.7704 11.9518 11.9518 11.9797 11.9797 14.9990 14.9990 15.2689 15.2689 16.0381 16.0381 16.7932 16.7932 17.1119 17.1119 k = 0.5000 0.2591 0.2460 ( 1634 PWs) bands (ev): 3.2326 3.2326 5.1256 5.1256 5.8648 5.8648 6.0397 6.0397 6.2045 6.2045 6.3046 6.3046 6.5690 6.5690 10.3481 10.3481 10.4300 10.4300 10.7731 10.7731 10.8799 10.8799 11.5080 11.5080 11.6632 11.6632 11.7100 11.7100 11.7629 11.7629 11.9401 11.9401 11.9693 11.9693 15.1273 15.1273 15.3685 15.3685 15.9833 15.9833 16.7695 16.7695 16.9780 16.9780 k = 0.5000 0.2665 0.2355 ( 1634 PWs) bands (ev): 3.2276 3.2276 5.1171 5.1171 5.8643 5.8643 6.0375 6.0375 6.2046 6.2046 6.3030 6.3030 6.5677 6.5677 10.3800 10.3800 10.4374 10.4374 10.7852 10.7852 10.8829 10.8829 11.5023 11.5023 11.6646 11.6646 11.7145 11.7145 11.7584 11.7584 11.9298 11.9298 11.9609 11.9609 15.2558 15.2558 15.4540 15.4540 15.9181 15.9181 16.7472 16.7472 16.8684 16.8684 k = 0.5000 0.2739 0.2251 ( 1628 PWs) bands (ev): 3.2240 3.2240 5.1110 5.1110 5.8639 5.8639 6.0359 6.0359 6.2047 6.2047 6.3020 6.3020 6.5668 6.5668 10.4006 10.4006 10.4452 10.4452 10.7925 10.7925 10.8871 10.8871 11.4972 11.4972 11.6648 11.6648 11.7182 11.7182 11.7568 11.7568 11.9216 11.9216 11.9547 11.9547 15.3822 15.3822 15.5206 15.5206 15.8402 15.8402 16.7261 16.7261 16.7898 16.7898 k = 0.5000 0.2813 0.2146 ( 1622 PWs) bands (ev): 3.2218 3.2218 5.1073 5.1073 5.8638 5.8638 6.0350 6.0350 6.2048 6.2048 6.3014 6.3014 6.5663 6.5663 10.4109 10.4109 10.4524 10.4524 10.7961 10.7961 10.8906 10.8906 11.4938 11.4938 11.6646 11.6646 11.7203 11.7203 11.7569 11.7569 11.9162 11.9162 11.9509 11.9509 15.5014 15.5014 15.5633 15.5633 15.7513 15.7513 16.7054 16.7054 16.7482 16.7482 k = 0.5000 0.2887 0.2041 ( 1622 PWs) bands (ev): 3.2211 3.2211 5.1061 5.1061 5.8637 5.8637 6.0347 6.0347 6.2048 6.2048 6.3012 6.3012 6.5661 6.5661 10.4138 10.4138 10.4554 10.4554 10.7971 10.7971 10.8920 10.8920 11.4926 11.4926 11.6645 11.6645 11.7209 11.7209 11.7571 11.7571 11.9143 11.9143 11.9496 11.9496 15.5764 15.5764 15.5797 15.5797 15.6848 15.6848 16.6951 16.6951 16.7373 16.7373 k = 0.5000 0.2887 0.2041 ( 1622 PWs) bands (ev): 3.2211 3.2211 5.1061 5.1061 5.8637 5.8637 6.0347 6.0347 6.2048 6.2048 6.3012 6.3012 6.5661 6.5661 10.4138 10.4138 10.4554 10.4554 10.7971 10.7971 10.8920 10.8920 11.4926 11.4926 11.6645 11.6645 11.7209 11.7209 11.7571 11.7571 11.9143 11.9143 11.9496 11.9496 15.5764 15.5764 15.5797 15.5797 15.6848 15.6848 16.6951 16.6951 16.7373 16.7373 k = 0.4963 0.2866 0.2161 ( 1622 PWs) bands (ev): 3.2218 3.2218 5.1073 5.1073 5.8638 5.8638 6.0350 6.0350 6.2048 6.2048 6.3014 6.3014 6.5663 6.5663 10.4109 10.4109 10.4525 10.4525 10.7961 10.7961 10.8907 10.8907 11.4938 11.4938 11.6646 11.6646 11.7203 11.7203 11.7569 11.7569 11.9161 11.9161 11.9509 11.9509 15.5021 15.5021 15.5636 15.5636 15.7507 15.7507 16.7053 16.7053 16.7480 16.7480 k = 0.4926 0.2844 0.2281 ( 1633 PWs) bands (ev): 3.2240 3.2240 5.1109 5.1109 5.8639 5.8639 6.0359 6.0359 6.2047 6.2047 6.3020 6.3020 6.5668 6.5668 10.4007 10.4007 10.4453 10.4453 10.7925 10.7925 10.8871 10.8871 11.4971 11.4971 11.6648 11.6648 11.7182 11.7182 11.7568 11.7568 11.9214 11.9214 11.9546 11.9546 15.3832 15.3832 15.5225 15.5225 15.8383 15.8383 16.7281 16.7281 16.7869 16.7869 k = 0.4890 0.2823 0.2401 ( 1633 PWs) bands (ev): 3.2275 3.2275 5.1169 5.1169 5.8643 5.8643 6.0374 6.0374 6.2046 6.2046 6.3030 6.3030 6.5677 6.5677 10.3802 10.3802 10.4379 10.4379 10.7853 10.7853 10.8830 10.8830 11.5022 11.5022 11.6646 11.6646 11.7145 11.7145 11.7584 11.7584 11.9296 11.9296 11.9608 11.9608 15.2561 15.2561 15.4605 15.4605 15.9118 15.9118 16.7594 16.7594 16.8561 16.8561 k = 0.4853 0.2802 0.2522 ( 1632 PWs) bands (ev): 3.2325 3.2325 5.1253 5.1253 5.8648 5.8648 6.0396 6.0396 6.2045 6.2045 6.3046 6.3046 6.5689 6.5689 10.3481 10.3481 10.4316 10.4316 10.7730 10.7730 10.8801 10.8801 11.5079 11.5079 11.6633 11.6633 11.7099 11.7099 11.7630 11.7630 11.9397 11.9397 11.9691 11.9691 15.1254 15.1254 15.3835 15.3835 15.9656 15.9656 16.8052 16.8052 16.9470 16.9470 k = 0.4816 0.2781 0.2642 ( 1630 PWs) bands (ev): 3.2389 3.2389 5.1361 5.1361 5.8654 5.8654 6.0424 6.0424 6.2045 6.2045 6.3066 6.3066 6.5706 6.5706 10.3054 10.3054 10.4261 10.4261 10.7546 10.7546 10.8801 10.8801 11.5131 11.5131 11.6599 11.6599 11.7059 11.7059 11.7707 11.7707 11.9511 11.9511 11.9794 11.9794 14.9932 14.9932 15.2966 15.2966 15.9987 15.9987 16.8687 16.8687 17.0532 17.0532 k = 0.4779 0.2759 0.2762 ( 1628 PWs) bands (ev): 3.2466 3.2466 5.1491 5.1491 5.8662 5.8662 6.0458 6.0458 6.2044 6.2044 6.3091 6.3091 6.5727 6.5727 10.2536 10.2536 10.4207 10.4207 10.7303 10.7303 10.8830 10.8830 11.5168 11.5168 11.6533 11.6533 11.7049 11.7049 11.7813 11.7813 11.9630 11.9630 11.9914 11.9914 14.8613 14.8613 15.2035 15.2035 16.0133 16.0133 16.9495 16.9495 17.1704 17.1704 k = 0.4743 0.2738 0.2882 ( 1626 PWs) bands (ev): 3.2556 3.2556 5.1644 5.1644 5.8671 5.8671 6.0498 6.0498 6.2043 6.2043 6.3121 6.3121 6.5752 6.5752 10.1935 10.1935 10.4152 10.4152 10.7011 10.7011 10.8885 10.8885 11.5181 11.5181 11.6434 11.6434 11.7080 11.7080 11.7941 11.7941 11.9750 11.9750 12.0047 12.0047 14.7307 14.7307 15.1067 15.1067 16.0135 16.0135 17.0450 17.0450 17.2959 17.2959 k = 0.4706 0.2717 0.3002 ( 1626 PWs) bands (ev): 3.2660 3.2660 5.1819 5.1819 5.8680 5.8680 6.0544 6.0544 6.2043 6.2043 6.3158 6.3158 6.5781 6.5781 10.1259 10.1259 10.4094 10.4094 10.6679 10.6679 10.8962 10.8962 11.5166 11.5166 11.6311 11.6311 11.7148 11.7148 11.8083 11.8083 11.9871 11.9871 12.0189 12.0189 14.6027 14.6027 15.0078 15.0078 16.0037 16.0037 17.1523 17.1523 17.4278 17.4278 k = 0.4669 0.2696 0.3122 ( 1623 PWs) bands (ev): 3.2776 3.2776 5.2016 5.2016 5.8691 5.8691 6.0595 6.0595 6.2042 6.2042 6.3200 6.3200 6.5817 6.5817 10.0514 10.0514 10.4034 10.4034 10.6319 10.6319 10.9056 10.9056 11.5125 11.5125 11.6173 11.6173 11.7246 11.7246 11.8238 11.8238 11.9989 11.9989 12.0338 12.0338 14.4780 14.4780 14.9083 14.9083 15.9874 15.9874 17.2687 17.2687 17.5650 17.5650 k = 0.4632 0.2674 0.3242 ( 1622 PWs) bands (ev): 3.2903 3.2903 5.2233 5.2233 5.8702 5.8702 6.0650 6.0650 6.2043 6.2043 6.3250 6.3250 6.5858 6.5858 9.9704 9.9704 10.3970 10.3970 10.5936 10.5936 10.9162 10.9162 11.5062 11.5062 11.6025 11.6025 11.7363 11.7363 11.8398 11.8398 12.0103 12.0103 12.0489 12.0489 14.3573 14.3573 14.8089 14.8089 15.9673 15.9673 17.3925 17.3925 17.7065 17.7065 k = 0.4596 0.2653 0.3362 ( 1620 PWs) bands (ev): 3.3043 3.3043 5.2470 5.2470 5.8714 5.8714 6.0710 6.0710 6.2044 6.2044 6.3306 6.3306 6.5905 6.5905 9.8834 9.8834 10.3905 10.3905 10.5538 10.5538 10.9281 10.9281 11.4980 11.4980 11.5873 11.5873 11.7491 11.7491 11.8561 11.8561 12.0214 12.0214 12.0641 12.0641 14.2413 14.2413 14.7103 14.7103 15.9450 15.9450 17.5224 17.5224 17.8515 17.8515 k = 0.4559 0.2632 0.3482 ( 1622 PWs) bands (ev): 3.3192 3.3192 5.2724 5.2724 5.8726 5.8726 6.0774 6.0774 6.2045 6.2045 6.3371 6.3371 6.5960 6.5960 9.7908 9.7908 10.3835 10.3835 10.5131 10.5131 10.9408 10.9408 11.4884 11.4884 11.5718 11.5718 11.7624 11.7624 11.8723 11.8723 12.0319 12.0319 12.0791 12.0791 14.1304 14.1304 14.6129 14.6129 15.9219 15.9219 17.6576 17.6576 17.9998 17.9998 k = 0.4522 0.2611 0.3602 ( 1624 PWs) bands (ev): 3.3352 3.3352 5.2996 5.2996 5.8738 5.8738 6.0841 6.0841 6.2049 6.2049 6.3444 6.3444 6.6022 6.6022 9.6930 9.6930 10.3762 10.3762 10.4721 10.4721 10.9543 10.9543 11.4778 11.4778 11.5563 11.5563 11.7755 11.7755 11.8881 11.8881 12.0419 12.0419 12.0936 12.0936 14.0251 14.0251 14.5172 14.5172 15.8988 15.8988 17.7976 17.7976 18.1507 18.1507 k = 0.4485 0.2590 0.3722 ( 1624 PWs) bands (ev): 3.3521 3.3521 5.3283 5.3283 5.8751 5.8751 6.0911 6.0911 6.2055 6.2055 6.3527 6.3527 6.6093 6.6093 9.5904 9.5904 10.3679 10.3679 10.4319 10.4319 10.9685 10.9685 11.4665 11.4665 11.5409 11.5409 11.7881 11.7881 11.9032 11.9032 12.0513 12.0513 12.1078 12.1078 13.9259 13.9259 14.4235 14.4235 15.8762 15.8762 17.9419 17.9419 18.3040 18.3040 k = 0.4449 0.2568 0.3842 ( 1618 PWs) bands (ev): 3.3699 3.3699 5.3584 5.3584 5.8764 5.8764 6.0982 6.0982 6.2064 6.2064 6.3620 6.3620 6.6175 6.6175 9.4835 9.4835 10.3564 10.3564 10.3951 10.3951 10.9834 10.9834 11.4546 11.4546 11.5259 11.5259 11.8001 11.8001 11.9175 11.9175 12.0599 12.0599 12.1213 12.1213 13.8328 13.8328 14.3321 14.3321 15.8544 15.8544 18.0904 18.0904 18.4595 18.4595 k = 0.4412 0.2547 0.3962 ( 1614 PWs) bands (ev): 3.3883 3.3883 5.3896 5.3896 5.8778 5.8778 6.1055 6.1055 6.2076 6.2076 6.3724 6.3724 6.6268 6.6268 9.3725 9.3725 10.3332 10.3332 10.3704 10.3704 10.9987 10.9987 11.4423 11.4423 11.5114 11.5114 11.8111 11.8111 11.9307 11.9307 12.0677 12.0677 12.1341 12.1341 13.7461 13.7461 14.2431 14.2431 15.8336 15.8336 18.2427 18.2427 18.6168 18.6168 k = 0.4375 0.2526 0.4082 ( 1617 PWs) bands (ev): 3.4074 3.4074 5.4217 5.4217 5.8792 5.8792 6.1127 6.1127 6.2091 6.2091 6.3840 6.3840 6.6375 6.6375 9.2581 9.2581 10.2979 10.2979 10.3583 10.3583 11.0144 11.0144 11.4296 11.4296 11.4973 11.4973 11.8210 11.8210 11.9424 11.9424 12.0746 12.0746 12.1461 12.1461 13.6659 13.6659 14.1566 14.1566 15.8139 15.8139 18.3985 18.3985 18.7756 18.7756 k = 0.4338 0.2505 0.4203 ( 1617 PWs) bands (ev): 3.4270 3.4270 5.4543 5.4543 5.8808 5.8808 6.1197 6.1197 6.2111 6.2111 6.3968 6.3968 6.6496 6.6496 9.1405 9.1405 10.2598 10.2598 10.3500 10.3500 11.0305 11.0305 11.4166 11.4166 11.4839 11.4839 11.8298 11.8298 11.9525 11.9525 12.0806 12.0806 12.1574 12.1574 13.5922 13.5922 14.0731 14.0731 15.7954 15.7954 18.5576 18.5576 18.9357 18.9357 k = 0.4301 0.2483 0.4323 ( 1621 PWs) bands (ev): 3.4469 3.4469 5.4873 5.4873 5.8825 5.8825 6.1264 6.1264 6.2137 6.2137 6.4110 6.4110 6.6634 6.6634 9.0202 9.0202 10.2217 10.2217 10.3427 10.3427 11.0468 11.0468 11.4034 11.4034 11.4712 11.4712 11.8375 11.8375 11.9608 11.9608 12.0854 12.0854 12.1678 12.1678 13.5250 13.5250 13.9926 13.9926 15.7781 15.7781 18.7195 18.7195 19.0967 19.0967 k = 0.4265 0.2462 0.4443 ( 1625 PWs) bands (ev): 3.4671 3.4671 5.5203 5.5203 5.8844 5.8844 6.1328 6.1328 6.2169 6.2169 6.4266 6.4266 6.6791 6.6791 8.8978 8.8978 10.1844 10.1844 10.3358 10.3358 11.0632 11.0632 11.3901 11.3901 11.4592 11.4592 11.8441 11.8441 11.9671 11.9671 12.0893 12.0893 12.1777 12.1777 13.4642 13.4642 13.9153 13.9153 15.7620 15.7620 18.8836 18.8836 19.2584 19.2584 k = 0.4228 0.2441 0.4563 ( 1627 PWs) bands (ev): 3.4874 3.4874 5.5528 5.5528 5.8866 5.8866 6.1388 6.1388 6.2206 6.2206 6.4437 6.4437 6.6970 6.6970 8.7737 8.7737 10.1483 10.1483 10.3291 10.3291 11.0797 11.0797 11.3767 11.3767 11.4480 11.4480 11.8496 11.8496 11.9714 11.9714 12.0921 12.0921 12.1870 12.1870 13.4100 13.4100 13.8413 13.8413 15.7470 15.7470 19.0491 19.0491 19.4204 19.4204 k = 0.4191 0.2420 0.4683 ( 1629 PWs) bands (ev): 3.5076 3.5076 5.5844 5.5844 5.8891 5.8891 6.1443 6.1443 6.2250 6.2250 6.4624 6.4624 6.7175 6.7175 8.6484 8.6484 10.1136 10.1136 10.3225 10.3225 11.0963 11.0963 11.3634 11.3634 11.4376 11.4376 11.8539 11.8539 11.9735 11.9735 12.0937 12.0937 12.1957 12.1957 13.3618 13.3618 13.7708 13.7708 15.7330 15.7330 19.2144 19.2144 19.5822 19.5822 k = 0.4154 0.2399 0.4803 ( 1625 PWs) bands (ev): 3.5275 3.5275 5.6147 5.6147 5.8922 5.8922 6.1493 6.1493 6.2299 6.2299 6.4827 6.4827 6.7407 6.7407 8.5223 8.5223 10.0804 10.0804 10.3159 10.3159 11.1127 11.1127 11.3505 11.3505 11.4280 11.4280 11.8573 11.8573 11.9735 11.9735 12.0943 12.0943 12.2040 12.2040 13.3195 13.3195 13.7040 13.7040 15.7201 15.7201 19.3763 19.3763 19.7433 19.7433 k = 0.4118 0.2377 0.4923 ( 1627 PWs) bands (ev): 3.5471 3.5471 5.6432 5.6432 5.8959 5.8959 6.1539 6.1539 6.2353 6.2353 6.5045 6.5045 6.7672 6.7672 8.3960 8.3960 10.0488 10.0488 10.3093 10.3093 11.1286 11.1286 11.3379 11.3379 11.4190 11.4190 11.8597 11.8597 11.9714 11.9714 12.0937 12.0937 12.2119 12.2119 13.2829 13.2829 13.6409 13.6409 15.7081 15.7081 19.5271 19.5271 19.9029 19.9029 k = 0.4081 0.2356 0.5043 ( 1623 PWs) bands (ev): 3.5659 3.5659 5.6696 5.6696 5.9004 5.9004 6.1581 6.1581 6.2410 6.2410 6.5278 6.5278 6.7971 6.7971 8.2700 8.2700 10.0189 10.0189 10.3026 10.3026 11.1440 11.1440 11.3261 11.3261 11.4107 11.4107 11.8612 11.8612 11.9674 11.9674 12.0920 12.0920 12.2197 12.2197 13.2516 13.2516 13.5816 13.5816 15.6970 15.6970 19.6439 19.6439 20.0578 20.0578 k = 0.4044 0.2335 0.5163 ( 1627 PWs) bands (ev): 3.5839 3.5839 5.6934 5.6934 5.9055 5.9055 6.1621 6.1621 6.2469 6.2469 6.5524 6.5524 6.8309 6.8309 8.1448 8.1448 9.9907 9.9907 10.2956 10.2956 11.1583 11.1583 11.3153 11.3153 11.4030 11.4030 11.8619 11.8619 11.9616 11.9616 12.0893 12.0893 12.2271 12.2271 13.2250 13.2250 13.5261 13.5261 15.6866 15.6866 19.6735 19.6735 20.1505 20.1505 k = 0.4007 0.2314 0.5283 ( 1628 PWs) bands (ev): 3.6009 3.6009 5.7143 5.7143 5.9115 5.9115 6.1659 6.1659 6.2528 6.2528 6.5782 6.5782 6.8689 6.8689 8.0209 8.0209 9.9644 9.9644 10.2885 10.2885 11.1709 11.1709 11.3063 11.3063 11.3958 11.3958 11.8620 11.8620 11.9544 11.9544 12.0856 12.0856 12.2343 12.2343 13.2028 13.2028 13.4746 13.4746 15.6770 15.6770 19.6002 19.6002 20.2461 20.2461 k = 0.3971 0.2292 0.5403 ( 1630 PWs) bands (ev): 3.6165 3.6165 5.7323 5.7323 5.9182 5.9182 6.1696 6.1696 6.2588 6.2588 6.6050 6.6050 6.9112 6.9112 7.8989 7.8989 9.9400 9.9400 10.2811 10.2811 11.1809 11.1809 11.2998 11.2998 11.3893 11.3893 11.8615 11.8615 11.9459 11.9459 12.0811 12.0811 12.2413 12.2413 13.1847 13.1847 13.4271 13.4271 15.6680 15.6680 19.4792 19.4792 20.3856 20.3856 k = 0.3934 0.2271 0.5523 ( 1634 PWs) bands (ev): 3.6305 3.6305 5.7474 5.7474 5.9254 5.9254 6.1733 6.1733 6.2645 6.2645 6.6326 6.6326 6.9581 6.9581 7.7795 7.7795 9.9175 9.9175 10.2733 10.2733 11.1873 11.1873 11.2967 11.2967 11.3834 11.3834 11.8606 11.8606 11.9366 11.9366 12.0759 12.0759 12.2480 12.2480 13.1701 13.1701 13.3834 13.3834 15.6596 15.6596 19.3432 19.3432 20.5366 20.5366 k = 0.3897 0.2250 0.5643 ( 1634 PWs) bands (ev): 3.6427 3.6427 5.7599 5.7599 5.9328 5.9328 6.1770 6.1770 6.2701 6.2701 6.6606 6.6606 7.0097 7.0097 7.6633 7.6633 9.8969 9.8969 10.2650 10.2650 11.1893 11.1893 11.2975 11.2975 11.3783 11.3783 11.8594 11.8594 11.9270 11.9270 12.0704 12.0704 12.2547 12.2547 13.1587 13.1587 13.3435 13.3435 15.6516 15.6516 19.2031 19.2031 20.6847 20.6847 k = 0.3860 0.2229 0.5764 ( 1636 PWs) bands (ev): 3.6528 3.6528 5.7700 5.7700 5.9400 5.9400 6.1807 6.1807 6.2753 6.2753 6.6885 6.6885 7.0659 7.0659 7.5515 7.5515 9.8782 9.8782 10.2562 10.2562 11.1870 11.1870 11.3015 11.3015 11.3744 11.3744 11.8580 11.8580 11.9173 11.9173 12.0648 12.0648 12.2612 12.2612 13.1501 13.1501 13.3074 13.3074 15.6441 15.6441 19.0626 19.0626 20.8215 20.8215 k = 0.3824 0.2208 0.5884 ( 1632 PWs) bands (ev): 3.6605 3.6605 5.7783 5.7783 5.9468 5.9468 6.1845 6.1845 6.2803 6.2803 6.7157 6.7157 7.1266 7.1266 7.4451 7.4451 9.8615 9.8615 10.2469 10.2469 11.1816 11.1816 11.3069 11.3069 11.3724 11.3724 11.8560 11.8560 11.9086 11.9086 12.0595 12.0595 12.2676 12.2676 13.1440 13.1440 13.2749 13.2749 15.6370 15.6370 18.9236 18.9236 20.9426 20.9426 k = 0.3787 0.2186 0.6004 ( 1632 PWs) bands (ev): 3.6655 3.6655 5.7850 5.7850 5.9526 5.9526 6.1882 6.1882 6.2848 6.2848 6.7407 6.7407 7.1916 7.1916 7.3460 7.3460 9.8467 9.8467 10.2367 10.2367 11.1741 11.1741 11.3115 11.3115 11.3733 11.3733 11.8525 11.8525 11.9018 11.9018 12.0548 12.0548 12.2738 12.2738 13.1398 13.1398 13.2458 13.2458 15.6301 15.6301 18.7868 18.7868 21.0466 21.0466 k = 0.3750 0.2165 0.6124 ( 1624 PWs) bands (ev): 3.6674 3.6674 5.7905 5.7905 5.9573 5.9573 6.1921 6.1921 6.2890 6.2890 6.7614 6.7614 7.2525 7.2525 7.2653 7.2653 9.8337 9.8337 10.2259 10.2259 11.1655 11.1655 11.3136 11.3136 11.3780 11.3780 11.8470 11.8470 11.8984 11.8984 12.0512 12.0512 12.2800 12.2800 13.1374 13.1374 13.2200 13.2200 15.6235 15.6235 18.6529 18.6529 21.1340 21.1340 k = 0.6250-0.0722 0.4082 ( 1624 PWs) bands (ev): 3.6674 3.6674 5.7905 5.7905 5.9573 5.9573 6.1921 6.1921 6.2890 6.2890 6.7614 6.7614 7.2525 7.2525 7.2653 7.2653 9.8337 9.8337 10.2259 10.2259 11.1655 11.1655 11.3136 11.3136 11.3780 11.3780 11.8470 11.8470 11.8984 11.8984 12.0512 12.0512 12.2800 12.2800 13.1374 13.1374 13.2200 13.2200 15.6235 15.6235 18.6529 18.6529 21.1340 21.1340 k = 0.6188-0.0830 0.4082 ( 1634 PWs) bands (ev): 3.6669 3.6669 5.7985 5.7985 5.9642 5.9642 6.1979 6.1979 6.2956 6.2956 6.7884 6.7884 7.1928 7.1928 7.3108 7.3108 9.8146 9.8146 10.2067 10.2067 11.1500 11.1500 11.3102 11.3102 11.3921 11.3921 11.8333 11.8333 11.8984 11.8984 12.0458 12.0458 12.2899 12.2899 13.1343 13.1343 13.1804 13.1804 15.6121 15.6121 18.4305 18.4305 21.2696 21.2696 k = 0.6125-0.0938 0.4082 ( 1634 PWs) bands (ev): 3.6643 3.6643 5.8055 5.8055 5.9716 5.9716 6.2032 6.2032 6.3027 6.3027 6.8103 6.8103 7.1347 7.1347 7.3651 7.3651 9.7985 9.7985 10.1876 10.1876 11.1350 11.1350 11.3014 11.3014 11.4102 11.4102 11.8178 11.8178 11.9017 11.9017 12.0410 12.0410 12.2995 12.2995 13.1274 13.1274 13.1473 13.1473 15.6004 15.6004 18.2145 18.2145 21.4071 21.4071 k = 0.6062-0.1046 0.4082 ( 1634 PWs) bands (ev): 3.6601 3.6601 5.8118 5.8118 5.9793 5.9793 6.2078 6.2078 6.3099 6.3099 6.8269 6.8269 7.0793 7.0793 7.4268 7.4268 9.7855 9.7855 10.1687 10.1687 11.1206 11.1206 11.2895 11.2895 11.4293 11.4293 11.8022 11.8022 11.9064 11.9064 12.0365 12.0365 12.3085 12.3085 13.1014 13.1014 13.1359 13.1359 15.5881 15.5881 18.0058 18.0058 21.5467 21.5467 k = 0.6000-0.1155 0.4082 ( 1642 PWs) bands (ev): 3.6545 3.6545 5.8172 5.8172 5.9873 5.9873 6.2118 6.2118 6.3171 6.3171 6.8379 6.8379 7.0272 7.0272 7.4942 7.4942 9.7759 9.7759 10.1502 10.1502 11.1066 11.1066 11.2757 11.2757 11.4483 11.4483 11.7868 11.7868 11.9116 11.9116 12.0324 12.0324 12.3169 12.3169 13.0692 13.0692 13.1332 13.1332 15.5751 15.5751 17.8051 17.8051 21.6885 21.6885 k = 0.5938-0.1263 0.4082 ( 1638 PWs) bands (ev): 3.6480 3.6480 5.8221 5.8221 5.9958 5.9958 6.2155 6.2155 6.3244 6.3244 6.8422 6.8422 6.9804 6.9804 7.5656 7.5656 9.7699 9.7699 10.1323 10.1323 11.0936 11.0936 11.2607 11.2607 11.4668 11.4668 11.7724 11.7724 11.9169 11.9169 12.0288 12.0288 12.3249 12.3249 13.0385 13.0385 13.1318 13.1318 15.5611 15.5611 17.6134 17.6134 21.8323 21.8323 k = 0.5875-0.1371 0.4082 ( 1638 PWs) bands (ev): 3.6408 3.6408 5.8263 5.8263 6.0048 6.0048 6.2188 6.2188 6.3316 6.3316 6.8362 6.8362 6.9432 6.9432 7.6394 7.6394 9.7676 9.7676 10.1148 10.1148 11.0814 11.0814 11.2446 11.2446 11.4842 11.4842 11.7585 11.7585 11.9221 11.9221 12.0255 12.0255 12.3322 12.3322 13.0096 13.0096 13.1308 13.1308 15.5459 15.5459 17.4315 17.4315 21.9781 21.9781 k = 0.5813-0.1479 0.4082 ( 1630 PWs) bands (ev): 3.6331 3.6331 5.8300 5.8300 6.0142 6.0142 6.2220 6.2220 6.3386 6.3386 6.8152 6.8152 6.9209 6.9209 7.7140 7.7140 9.7691 9.7691 10.0981 10.0981 11.0699 11.0699 11.2276 11.2276 11.5006 11.5006 11.7453 11.7453 11.9274 11.9274 12.0227 12.0227 12.3391 12.3391 12.9829 12.9829 13.1301 13.1301 15.5292 15.5292 17.2602 17.2602 22.1258 22.1258 k = 0.5750-0.1588 0.4082 ( 1632 PWs) bands (ev): 3.6252 3.6252 5.8332 5.8332 6.0240 6.0240 6.2250 6.2250 6.3453 6.3453 6.7813 6.7813 6.9117 6.9117 7.7878 7.7878 9.7746 9.7746 10.0821 10.0821 11.0593 11.0593 11.2099 11.2099 11.5156 11.5156 11.7327 11.7327 11.9319 11.9319 12.0204 12.0204 12.3451 12.3451 12.9581 12.9581 13.1296 13.1296 15.5108 15.5108 17.1006 17.1006 22.2749 22.2749 k = 0.5687-0.1696 0.4082 ( 1634 PWs) bands (ev): 3.6173 3.6173 5.8360 5.8360 6.0342 6.0342 6.2280 6.2280 6.3518 6.3518 6.7420 6.7420 6.9089 6.9089 7.8595 7.8595 9.7841 9.7841 10.0671 10.0671 11.0495 11.0495 11.1915 11.1915 11.5292 11.5292 11.7206 11.7206 11.9359 11.9359 12.0185 12.0185 12.3508 12.3508 12.9353 12.9353 13.1293 13.1293 15.4905 15.4905 16.9534 16.9534 22.4253 22.4253 k = 0.5625-0.1804 0.4082 ( 1636 PWs) bands (ev): 3.6095 3.6095 5.8384 5.8384 6.0448 6.0448 6.2310 6.2310 6.3579 6.3579 6.7014 6.7014 6.9084 6.9084 7.9278 7.9278 9.7974 9.7974 10.0532 10.0532 11.0406 11.0406 11.1726 11.1726 11.5412 11.5412 11.7093 11.7093 11.9394 11.9394 12.0172 12.0172 12.3559 12.3559 12.9146 12.9146 13.1292 13.1292 15.4680 15.4680 16.8195 16.8195 22.5762 22.5762 k = 0.5563-0.1912 0.4082 ( 1636 PWs) bands (ev): 3.6021 3.6021 5.8405 5.8405 6.0556 6.0556 6.2343 6.2343 6.3636 6.3636 6.6615 6.6615 6.9086 6.9086 7.9918 7.9918 9.8141 9.8141 10.0404 10.0404 11.0325 11.0325 11.1534 11.1534 11.5515 11.5515 11.6989 11.6989 11.9423 11.9423 12.0164 12.0164 12.3604 12.3604 12.8959 12.8959 13.1291 13.1291 15.4435 15.4435 16.6996 16.6996 22.7269 22.7269 k = 0.5500-0.2021 0.4082 ( 1636 PWs) bands (ev): 3.5951 3.5951 5.8423 5.8423 6.0666 6.0666 6.2378 6.2378 6.3689 6.3689 6.6230 6.6230 6.9092 6.9092 8.0505 8.0505 9.8339 9.8339 10.0290 10.0290 11.0252 11.0252 11.1339 11.1339 11.5598 11.5598 11.6896 11.6896 11.9446 11.9446 12.0160 12.0160 12.3644 12.3644 12.8793 12.8793 13.1292 13.1292 15.4172 15.4172 16.5943 16.5943 22.8765 22.8765 k = 0.5437-0.2129 0.4082 ( 1630 PWs) bands (ev): 3.5887 3.5887 5.8438 5.8438 6.0775 6.0775 6.2419 6.2419 6.3739 6.3739 6.5863 6.5863 6.9097 6.9097 8.1033 8.1033 9.8557 9.8557 10.0191 10.0191 11.0190 11.0190 11.1146 11.1146 11.5662 11.5662 11.6818 11.6818 11.9463 11.9463 12.0160 12.0160 12.3683 12.3683 12.8646 12.8646 13.1294 13.1294 15.3896 15.3896 16.5036 16.5036 23.0232 23.0232 k = 0.5375-0.2237 0.4082 ( 1630 PWs) bands (ev): 3.5830 3.5830 5.8451 5.8451 6.0880 6.0880 6.2464 6.2464 6.3785 6.3785 6.5519 6.5519 6.9102 6.9102 8.1495 8.1495 9.8785 9.8785 10.0110 10.0110 11.0135 11.0135 11.0956 11.0956 11.5705 11.5705 11.6755 11.6755 11.9476 11.9476 12.0163 12.0163 12.3713 12.3713 12.8520 12.8520 13.1295 13.1295 15.3617 15.3617 16.4274 16.4274 23.1649 23.1649 k = 0.5312-0.2345 0.4082 ( 1630 PWs) bands (ev): 3.5780 3.5780 5.8461 5.8461 6.0979 6.0979 6.2515 6.2515 6.3828 6.3828 6.5200 6.5200 6.9106 6.9106 8.1889 8.1889 9.9006 9.9006 10.0051 10.0051 11.0090 11.0090 11.0774 11.0774 11.5728 11.5728 11.6709 11.6709 11.9485 11.9485 12.0168 12.0168 12.3738 12.3738 12.8413 12.8413 13.1296 13.1296 15.3346 15.3346 16.3651 16.3651 23.2983 23.2983 k = 0.5250-0.2454 0.4082 ( 1634 PWs) bands (ev): 3.5739 3.5739 5.8468 5.8468 6.1067 6.1067 6.2572 6.2572 6.3870 6.3870 6.4909 6.4909 6.9109 6.9109 8.2211 8.2211 9.9201 9.9201 10.0020 10.0020 11.0054 11.0054 11.0608 11.0608 11.5734 11.5734 11.6678 11.6678 11.9491 11.9491 12.0174 12.0174 12.3758 12.3758 12.8325 12.8325 13.1297 13.1297 15.3098 15.3098 16.3159 16.3159 23.4189 23.4189 k = 0.5188-0.2562 0.4082 ( 1634 PWs) bands (ev): 3.5706 3.5706 5.8474 5.8474 6.1140 6.1140 6.2632 6.2632 6.3913 6.3913 6.4651 6.4651 6.9111 6.9111 8.2462 8.2462 9.9349 9.9349 10.0021 10.0021 11.0029 11.0029 11.0465 11.0465 11.5731 11.5731 11.6661 11.6661 11.9495 11.9495 12.0179 12.0179 12.3773 12.3773 12.8257 12.8257 13.1298 13.1298 15.2886 15.2886 16.2789 16.2789 23.5208 23.5208 k = 0.5125-0.2670 0.4082 ( 1642 PWs) bands (ev): 3.5681 3.5681 5.8478 5.8478 6.1195 6.1195 6.2687 6.2687 6.3963 6.3963 6.4432 6.4432 6.9112 6.9112 8.2640 8.2640 9.9440 9.9440 10.0049 10.0049 11.0013 11.0013 11.0350 11.0350 11.5723 11.5723 11.6652 11.6652 11.9496 11.9496 12.0182 12.0182 12.3784 12.3784 12.8209 12.8209 13.1299 13.1299 15.2723 15.2723 16.2532 16.2532 23.5983 23.5983 k = 0.5062-0.2778 0.4082 ( 1642 PWs) bands (ev): 3.5667 3.5667 5.8480 5.8480 6.1229 6.1229 6.2728 6.2728 6.4029 6.4029 6.4256 6.4256 6.9113 6.9113 8.2747 8.2747 9.9483 9.9483 10.0084 10.0084 11.0006 11.0006 11.0276 11.0276 11.5716 11.5716 11.6649 11.6649 11.9497 11.9497 12.0185 12.0185 12.3791 12.3791 12.8179 12.8179 13.1299 13.1299 15.2621 15.2621 16.2381 16.2381 23.6465 23.6465 k = 0.5000-0.2887 0.4082 ( 1660 PWs) bands (ev): 3.5662 3.5662 5.8479 5.8479 6.1240 6.1240 6.2743 6.2743 6.4117 6.4117 6.4128 6.4128 6.9113 6.9113 8.2781 8.2781 9.9495 9.9495 10.0099 10.0099 11.0005 11.0005 11.0247 11.0247 11.5713 11.5713 11.6648 11.6648 11.9495 11.9495 12.0184 12.0184 12.3793 12.3793 12.8165 12.8165 13.1300 13.1300 15.2584 15.2584 16.2330 16.2330 23.6628 23.6628 Writing output data file ZnNi2Ge.save init_run : 0.18s CPU 0.31s WALL ( 1 calls) electrons : 86.96s CPU 88.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 86.96s CPU 88.88s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 367 calls) cegterg : 79.42s CPU 80.89s WALL ( 479 calls) Called by sum_band: Called by *egterg: h_psi : 36.02s CPU 36.99s WALL ( 7988 calls) s_psi : 2.85s CPU 2.99s WALL ( 7988 calls) g_psi : 0.08s CPU 0.09s WALL ( 7142 calls) cdiaghg : 39.64s CPU 40.18s WALL ( 7509 calls) cegterg:over : 2.66s CPU 2.63s WALL ( 7142 calls) cegterg:upda : 1.62s CPU 1.61s WALL ( 7142 calls) cegterg:last : 0.89s CPU 1.02s WALL ( 1213 calls) cdiaghg:chol : 1.94s CPU 2.06s WALL ( 7509 calls) cdiaghg:inve : 1.31s CPU 1.25s WALL ( 7509 calls) cdiaghg:para : 2.30s CPU 2.29s WALL ( 15018 calls) Called by h_psi: h_psi:vloc : 29.87s CPU 30.69s WALL ( 7988 calls) h_psi:vnl : 6.12s CPU 6.23s WALL ( 7988 calls) add_vuspsi : 3.31s CPU 3.42s WALL ( 7988 calls) General routines calbec : 2.78s CPU 2.79s WALL ( 7988 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.45s CPU 28.37s WALL ( 703936 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.13s WALL ( 734 calls) Parallel routines fft_scatter : 13.35s CPU 13.90s WALL ( 703959 calls) PWSCF : 1m38.20s CPU 1m50.18s WALL This run was terminated on: 18:38:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=