Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:13:32 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: ./Fe3Ge.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 20 6 547 370 61 Max 27 21 7 552 381 63 Sum 955 745 223 19795 13539 2229 bravais-lattice index = 14 lattice parameter (alat) = 7.6834 a.u. unit-cell volume = 320.7303 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.683369 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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) Fe 8.00 55.84500 Fe( 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= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0090909 -0.0052486 0.0074227), wk = 0.0027322 k( 3) = ( 0.0181818 -0.0104973 0.0148454), wk = 0.0027322 k( 4) = ( 0.0272727 -0.0157459 0.0222681), wk = 0.0027322 k( 5) = ( 0.0363636 -0.0209946 0.0296908), wk = 0.0027322 k( 6) = ( 0.0454546 -0.0262432 0.0371135), wk = 0.0027322 k( 7) = ( 0.0545455 -0.0314918 0.0445362), wk = 0.0027322 k( 8) = ( 0.0636364 -0.0367405 0.0519589), wk = 0.0027322 k( 9) = ( 0.0727273 -0.0419891 0.0593816), wk = 0.0027322 k( 10) = ( 0.0818182 -0.0472377 0.0668043), wk = 0.0027322 k( 11) = ( 0.0909091 -0.0524864 0.0742270), wk = 0.0027322 k( 12) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0027322 k( 13) = ( 0.1090909 -0.0629837 0.0890724), wk = 0.0027322 k( 14) = ( 0.1181818 -0.0682323 0.0964951), wk = 0.0027322 k( 15) = ( 0.1272727 -0.0734809 0.1039177), wk = 0.0027322 k( 16) = ( 0.1363636 -0.0787296 0.1113404), wk = 0.0027322 k( 17) = ( 0.1454545 -0.0839782 0.1187631), wk = 0.0027322 k( 18) = ( 0.1545455 -0.0892269 0.1261858), wk = 0.0027322 k( 19) = ( 0.1636364 -0.0944755 0.1336085), wk = 0.0027322 k( 20) = ( 0.1727273 -0.0997241 0.1410312), wk = 0.0027322 k( 21) = ( 0.1818182 -0.1049728 0.1484539), wk = 0.0027322 k( 22) = ( 0.1909091 -0.1102214 0.1558766), wk = 0.0027322 k( 23) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0027322 k( 24) = ( 0.2090909 -0.1207187 0.1707220), wk = 0.0027322 k( 25) = ( 0.2181818 -0.1259673 0.1781447), wk = 0.0027322 k( 26) = ( 0.2272727 -0.1312160 0.1855674), wk = 0.0027322 k( 27) = ( 0.2363636 -0.1364646 0.1929901), wk = 0.0027322 k( 28) = ( 0.2454545 -0.1417133 0.2004128), wk = 0.0027322 k( 29) = ( 0.2545455 -0.1469619 0.2078355), wk = 0.0027322 k( 30) = ( 0.2636364 -0.1522105 0.2152582), wk = 0.0027322 k( 31) = ( 0.2727273 -0.1574592 0.2226809), wk = 0.0027322 k( 32) = ( 0.2818182 -0.1627078 0.2301036), wk = 0.0027322 k( 33) = ( 0.2909091 -0.1679564 0.2375263), wk = 0.0027322 k( 34) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0027322 k( 35) = ( 0.3090909 -0.1784537 0.2523717), wk = 0.0027322 k( 36) = ( 0.3181818 -0.1837024 0.2597944), wk = 0.0027322 k( 37) = ( 0.3272727 -0.1889510 0.2672171), wk = 0.0027322 k( 38) = ( 0.3363636 -0.1941996 0.2746398), wk = 0.0027322 k( 39) = ( 0.3454546 -0.1994483 0.2820625), wk = 0.0027322 k( 40) = ( 0.3545454 -0.2046969 0.2894851), wk = 0.0027322 k( 41) = ( 0.3636364 -0.2099456 0.2969078), wk = 0.0027322 k( 42) = ( 0.3727273 -0.2151942 0.3043305), wk = 0.0027322 k( 43) = ( 0.3818182 -0.2204428 0.3117532), wk = 0.0027322 k( 44) = ( 0.3909091 -0.2256915 0.3191759), wk = 0.0027322 k( 45) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0027322 k( 46) = ( 0.4090909 -0.2361887 0.3340213), wk = 0.0027322 k( 47) = ( 0.4181818 -0.2414374 0.3414440), wk = 0.0027322 k( 48) = ( 0.4272727 -0.2466860 0.3488667), wk = 0.0027322 k( 49) = ( 0.4363636 -0.2519347 0.3562894), wk = 0.0027322 k( 50) = ( 0.4454546 -0.2571833 0.3637121), wk = 0.0027322 k( 51) = ( 0.4545455 -0.2624319 0.3711348), wk = 0.0027322 k( 52) = ( 0.4636364 -0.2676806 0.3785575), wk = 0.0027322 k( 53) = ( 0.4727273 -0.2729292 0.3859802), wk = 0.0027322 k( 54) = ( 0.4818182 -0.2781779 0.3934029), wk = 0.0027322 k( 55) = ( 0.4909091 -0.2834265 0.4008256), wk = 0.0027322 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027322 k( 57) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027322 k( 58) = ( 0.5000000 -0.2783653 0.4155384), wk = 0.0027322 k( 59) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0027322 k( 60) = ( 0.5000000 -0.2577457 0.4301187), wk = 0.0027322 k( 61) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0027322 k( 62) = ( 0.5000000 -0.2371260 0.4446990), wk = 0.0027322 k( 63) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0027322 k( 64) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0027322 k( 65) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0027322 k( 66) = ( 0.5000000 -0.1958867 0.4738596), wk = 0.0027322 k( 67) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0027322 k( 68) = ( 0.5000000 -0.1752670 0.4884399), wk = 0.0027322 k( 69) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0027322 k( 70) = ( 0.5000000 -0.1546474 0.5030202), wk = 0.0027322 k( 71) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0027322 k( 72) = ( 0.5000000 -0.1340277 0.5176005), wk = 0.0027322 k( 73) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0027322 k( 74) = ( 0.5000000 -0.1134081 0.5321808), wk = 0.0027322 k( 75) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0027322 k( 76) = ( 0.5000000 -0.0927884 0.5467611), wk = 0.0027322 k( 77) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0027322 k( 78) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0027322 k( 79) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0027322 k( 80) = ( 0.5000000 -0.0515491 0.5759217), wk = 0.0027322 k( 81) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0027322 k( 82) = ( 0.5000000 -0.0309295 0.5905020), wk = 0.0027322 k( 83) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0027322 k( 84) = ( 0.5000000 -0.0103098 0.6050823), wk = 0.0027322 k( 85) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027322 k( 86) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027322 k( 87) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0027322 k( 88) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0027322 k( 89) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0027322 k( 90) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0027322 k( 91) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0027322 k( 92) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0027322 k( 93) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0027322 k( 94) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0027322 k( 95) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0027322 k( 96) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0027322 k( 97) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0027322 k( 98) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0027322 k( 99) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0027322 k( 100) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0027322 k( 101) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0027322 k( 102) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0027322 k( 103) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0027322 k( 104) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0027322 k( 105) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0027322 k( 106) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027322 k( 107) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027322 k( 108) = ( 0.3685345 0.2127735 0.6018143), wk = 0.0027322 k( 109) = ( 0.3620690 0.2090406 0.5912561), wk = 0.0027322 k( 110) = ( 0.3556034 0.2053077 0.5806980), wk = 0.0027322 k( 111) = ( 0.3491379 0.2015749 0.5701399), wk = 0.0027322 k( 112) = ( 0.3426724 0.1978420 0.5595817), wk = 0.0027322 k( 113) = ( 0.3362069 0.1941091 0.5490236), wk = 0.0027322 k( 114) = ( 0.3297414 0.1903763 0.5384654), wk = 0.0027322 k( 115) = ( 0.3232759 0.1866434 0.5279073), wk = 0.0027322 k( 116) = ( 0.3168103 0.1829105 0.5173491), wk = 0.0027322 k( 117) = ( 0.3103448 0.1791777 0.5067910), wk = 0.0027322 k( 118) = ( 0.3038793 0.1754448 0.4962328), wk = 0.0027322 k( 119) = ( 0.2974138 0.1717119 0.4856747), wk = 0.0027322 k( 120) = ( 0.2909483 0.1679791 0.4751165), wk = 0.0027322 k( 121) = ( 0.2844828 0.1642462 0.4645584), wk = 0.0027322 k( 122) = ( 0.2780172 0.1605133 0.4540003), wk = 0.0027322 k( 123) = ( 0.2715517 0.1567805 0.4434421), wk = 0.0027322 k( 124) = ( 0.2650862 0.1530476 0.4328840), wk = 0.0027322 k( 125) = ( 0.2586207 0.1493147 0.4223258), wk = 0.0027322 k( 126) = ( 0.2521552 0.1455819 0.4117677), wk = 0.0027322 k( 127) = ( 0.2456897 0.1418490 0.4012095), wk = 0.0027322 k( 128) = ( 0.2392241 0.1381161 0.3906514), wk = 0.0027322 k( 129) = ( 0.2327586 0.1343833 0.3800932), wk = 0.0027322 k( 130) = ( 0.2262931 0.1306504 0.3695351), wk = 0.0027322 k( 131) = ( 0.2198276 0.1269175 0.3589769), wk = 0.0027322 k( 132) = ( 0.2133621 0.1231846 0.3484188), wk = 0.0027322 k( 133) = ( 0.2068966 0.1194518 0.3378607), wk = 0.0027322 k( 134) = ( 0.2004310 0.1157189 0.3273025), wk = 0.0027322 k( 135) = ( 0.1939655 0.1119860 0.3167444), wk = 0.0027322 k( 136) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0027322 k( 137) = ( 0.1810345 0.1045203 0.2956281), wk = 0.0027322 k( 138) = ( 0.1745690 0.1007874 0.2850699), wk = 0.0027322 k( 139) = ( 0.1681034 0.0970546 0.2745118), wk = 0.0027322 k( 140) = ( 0.1616379 0.0933217 0.2639536), wk = 0.0027322 k( 141) = ( 0.1551724 0.0895888 0.2533955), wk = 0.0027322 k( 142) = ( 0.1487069 0.0858560 0.2428373), wk = 0.0027322 k( 143) = ( 0.1422414 0.0821231 0.2322792), wk = 0.0027322 k( 144) = ( 0.1357759 0.0783902 0.2217211), wk = 0.0027322 k( 145) = ( 0.1293103 0.0746574 0.2111629), wk = 0.0027322 k( 146) = ( 0.1228448 0.0709245 0.2006048), wk = 0.0027322 k( 147) = ( 0.1163793 0.0671916 0.1900466), wk = 0.0027322 k( 148) = ( 0.1099138 0.0634588 0.1794885), wk = 0.0027322 k( 149) = ( 0.1034483 0.0597259 0.1689303), wk = 0.0027322 k( 150) = ( 0.0969828 0.0559930 0.1583722), wk = 0.0027322 k( 151) = ( 0.0905172 0.0522602 0.1478140), wk = 0.0027322 k( 152) = ( 0.0840517 0.0485273 0.1372559), wk = 0.0027322 k( 153) = ( 0.0775862 0.0447944 0.1266977), wk = 0.0027322 k( 154) = ( 0.0711207 0.0410615 0.1161396), wk = 0.0027322 k( 155) = ( 0.0646552 0.0373287 0.1055815), wk = 0.0027322 k( 156) = ( 0.0581897 0.0335958 0.0950233), wk = 0.0027322 k( 157) = ( 0.0517241 0.0298629 0.0844652), wk = 0.0027322 k( 158) = ( 0.0452586 0.0261301 0.0739070), wk = 0.0027322 k( 159) = ( 0.0387931 0.0223972 0.0633489), wk = 0.0027322 k( 160) = ( 0.0323276 0.0186643 0.0527907), wk = 0.0027322 k( 161) = ( 0.0258621 0.0149315 0.0422326), wk = 0.0027322 k( 162) = ( 0.0193965 0.0111986 0.0316744), wk = 0.0027322 k( 163) = ( 0.0129310 0.0074657 0.0211163), wk = 0.0027322 k( 164) = ( 0.0064655 0.0037329 0.0105581), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 167) = ( 0.0104167 0.0060141 0.0042526), wk = 0.0027322 k( 168) = ( 0.0208333 0.0120281 0.0085052), wk = 0.0027322 k( 169) = ( 0.0312500 0.0180422 0.0127578), wk = 0.0027322 k( 170) = ( 0.0416667 0.0240563 0.0170103), wk = 0.0027322 k( 171) = ( 0.0520833 0.0300703 0.0212629), wk = 0.0027322 k( 172) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0027322 k( 173) = ( 0.0729167 0.0420985 0.0297681), wk = 0.0027322 k( 174) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0027322 k( 175) = ( 0.0937500 0.0541266 0.0382733), wk = 0.0027322 k( 176) = ( 0.1041667 0.0601407 0.0425259), wk = 0.0027322 k( 177) = ( 0.1145833 0.0661547 0.0467784), wk = 0.0027322 k( 178) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0027322 k( 179) = ( 0.1354167 0.0781829 0.0552836), wk = 0.0027322 k( 180) = ( 0.1458333 0.0841969 0.0595362), wk = 0.0027322 k( 181) = ( 0.1562500 0.0902110 0.0637888), wk = 0.0027322 k( 182) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0027322 k( 183) = ( 0.1770833 0.1022391 0.0722940), wk = 0.0027322 k( 184) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0027322 k( 185) = ( 0.1979167 0.1142672 0.0807991), wk = 0.0027322 k( 186) = ( 0.2083333 0.1202813 0.0850517), wk = 0.0027322 k( 187) = ( 0.2187500 0.1262954 0.0893043), wk = 0.0027322 k( 188) = ( 0.2291667 0.1323094 0.0935569), wk = 0.0027322 k( 189) = ( 0.2395833 0.1383235 0.0978095), wk = 0.0027322 k( 190) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0027322 k( 191) = ( 0.2604167 0.1503516 0.1063147), wk = 0.0027322 k( 192) = ( 0.2708333 0.1563657 0.1105672), wk = 0.0027322 k( 193) = ( 0.2812500 0.1623798 0.1148198), wk = 0.0027322 k( 194) = ( 0.2916667 0.1683938 0.1190724), wk = 0.0027322 k( 195) = ( 0.3020833 0.1744079 0.1233250), wk = 0.0027322 k( 196) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0027322 k( 197) = ( 0.3229167 0.1864360 0.1318302), wk = 0.0027322 k( 198) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0027322 k( 199) = ( 0.3437500 0.1984642 0.1403353), wk = 0.0027322 k( 200) = ( 0.3541667 0.2044782 0.1445879), wk = 0.0027322 k( 201) = ( 0.3645833 0.2104923 0.1488405), wk = 0.0027322 k( 202) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0027322 k( 203) = ( 0.3854167 0.2225204 0.1573457), wk = 0.0027322 k( 204) = ( 0.3958333 0.2285345 0.1615983), wk = 0.0027322 k( 205) = ( 0.4062500 0.2345485 0.1658509), wk = 0.0027322 k( 206) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0027322 k( 207) = ( 0.4270833 0.2465767 0.1743560), wk = 0.0027322 k( 208) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0027322 k( 209) = ( 0.4479167 0.2586048 0.1828612), wk = 0.0027322 k( 210) = ( 0.4583333 0.2646189 0.1871138), wk = 0.0027322 k( 211) = ( 0.4687500 0.2706329 0.1913664), wk = 0.0027322 k( 212) = ( 0.4791667 0.2766470 0.1956190), wk = 0.0027322 k( 213) = ( 0.4895833 0.2826611 0.1998716), wk = 0.0027322 k( 214) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027322 k( 215) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027322 k( 216) = ( 0.5036765 0.2780621 0.2101278), wk = 0.0027322 k( 217) = ( 0.5073529 0.2674490 0.2161314), wk = 0.0027322 k( 218) = ( 0.5110294 0.2568360 0.2221351), wk = 0.0027322 k( 219) = ( 0.5147059 0.2462229 0.2281387), wk = 0.0027322 k( 220) = ( 0.5183823 0.2356098 0.2341424), wk = 0.0027322 k( 221) = ( 0.5220588 0.2249968 0.2401461), wk = 0.0027322 k( 222) = ( 0.5257353 0.2143837 0.2461497), wk = 0.0027322 k( 223) = ( 0.5294118 0.2037707 0.2521534), wk = 0.0027322 k( 224) = ( 0.5330882 0.1931576 0.2581570), wk = 0.0027322 k( 225) = ( 0.5367647 0.1825446 0.2641607), wk = 0.0027322 k( 226) = ( 0.5404412 0.1719315 0.2701643), wk = 0.0027322 k( 227) = ( 0.5441177 0.1613185 0.2761680), wk = 0.0027322 k( 228) = ( 0.5477941 0.1507054 0.2821716), wk = 0.0027322 k( 229) = ( 0.5514706 0.1400923 0.2881753), wk = 0.0027322 k( 230) = ( 0.5551471 0.1294793 0.2941789), wk = 0.0027322 k( 231) = ( 0.5588235 0.1188662 0.3001826), wk = 0.0027322 k( 232) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0027322 k( 233) = ( 0.5661765 0.0976401 0.3121899), wk = 0.0027322 k( 234) = ( 0.5698529 0.0870271 0.3181935), wk = 0.0027322 k( 235) = ( 0.5735294 0.0764140 0.3241972), wk = 0.0027322 k( 236) = ( 0.5772059 0.0658010 0.3302008), wk = 0.0027322 k( 237) = ( 0.5808823 0.0551879 0.3362045), wk = 0.0027322 k( 238) = ( 0.5845588 0.0445748 0.3422081), wk = 0.0027322 k( 239) = ( 0.5882353 0.0339618 0.3482118), wk = 0.0027322 k( 240) = ( 0.5919118 0.0233487 0.3542154), wk = 0.0027322 k( 241) = ( 0.5955882 0.0127357 0.3602191), wk = 0.0027322 k( 242) = ( 0.5992647 0.0021226 0.3662227), wk = 0.0027322 k( 243) = ( 0.6029412 -0.0084904 0.3722264), wk = 0.0027322 k( 244) = ( 0.6066177 -0.0191035 0.3782300), wk = 0.0027322 k( 245) = ( 0.6102941 -0.0297166 0.3842337), wk = 0.0027322 k( 246) = ( 0.6139706 -0.0403296 0.3902373), wk = 0.0027322 k( 247) = ( 0.6176471 -0.0509427 0.3962410), wk = 0.0027322 k( 248) = ( 0.6213235 -0.0615557 0.4022446), wk = 0.0027322 k( 249) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027322 k( 250) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027322 k( 251) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0027322 k( 252) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0027322 k( 253) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0027322 k( 254) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0027322 k( 255) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0027322 k( 256) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0027322 k( 257) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0027322 k( 258) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0027322 k( 259) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0027322 k( 260) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0027322 k( 261) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0027322 k( 262) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0027322 k( 263) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0027322 k( 264) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0027322 k( 265) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0027322 k( 266) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0027322 k( 267) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0027322 k( 268) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0027322 k( 269) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0027322 k( 270) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027322 k( 271) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027322 k( 272) = ( 0.5000000 0.0074019 0.6019045), wk = 0.0027322 k( 273) = ( 0.5000000 0.0148038 0.5914366), wk = 0.0027322 k( 274) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0027322 k( 275) = ( 0.5000000 0.0296077 0.5705008), wk = 0.0027322 k( 276) = ( 0.5000000 0.0370096 0.5600329), wk = 0.0027322 k( 277) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0027322 k( 278) = ( 0.5000000 0.0518135 0.5390971), wk = 0.0027322 k( 279) = ( 0.5000000 0.0592154 0.5286292), wk = 0.0027322 k( 280) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0027322 k( 281) = ( 0.5000000 0.0740193 0.5076934), wk = 0.0027322 k( 282) = ( 0.5000000 0.0814212 0.4972255), wk = 0.0027322 k( 283) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0027322 k( 284) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0027322 k( 285) = ( 0.5000000 0.1036270 0.4658218), wk = 0.0027322 k( 286) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0027322 k( 287) = ( 0.5000000 0.1184308 0.4448860), wk = 0.0027322 k( 288) = ( 0.5000000 0.1258328 0.4344181), wk = 0.0027322 k( 289) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0027322 k( 290) = ( 0.5000000 0.1406366 0.4134822), wk = 0.0027322 k( 291) = ( 0.5000000 0.1480385 0.4030143), wk = 0.0027322 k( 292) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0027322 k( 293) = ( 0.5000000 0.1628424 0.3820785), wk = 0.0027322 k( 294) = ( 0.5000000 0.1702443 0.3716106), wk = 0.0027322 k( 295) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0027322 k( 296) = ( 0.5000000 0.1850482 0.3506748), wk = 0.0027322 k( 297) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0027322 k( 298) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0027322 k( 299) = ( 0.5000000 0.2072539 0.3192711), wk = 0.0027322 k( 300) = ( 0.5000000 0.2146559 0.3088032), wk = 0.0027322 k( 301) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0027322 k( 302) = ( 0.5000000 0.2294597 0.2878674), wk = 0.0027322 k( 303) = ( 0.5000000 0.2368617 0.2773995), wk = 0.0027322 k( 304) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0027322 k( 305) = ( 0.5000000 0.2516655 0.2564637), wk = 0.0027322 k( 306) = ( 0.5000000 0.2590674 0.2459958), wk = 0.0027322 k( 307) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0027322 k( 308) = ( 0.5000000 0.2738713 0.2250600), wk = 0.0027322 k( 309) = ( 0.5000000 0.2812732 0.2145921), wk = 0.0027322 k( 310) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027322 k( 311) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027322 k( 312) = ( 0.4963235 0.2865525 0.2161314), wk = 0.0027322 k( 313) = ( 0.4926471 0.2844299 0.2281387), wk = 0.0027322 k( 314) = ( 0.4889706 0.2823073 0.2401460), wk = 0.0027322 k( 315) = ( 0.4852941 0.2801847 0.2521533), wk = 0.0027322 k( 316) = ( 0.4816177 0.2780621 0.2641607), wk = 0.0027322 k( 317) = ( 0.4779412 0.2759395 0.2761680), wk = 0.0027322 k( 318) = ( 0.4742647 0.2738169 0.2881753), wk = 0.0027322 k( 319) = ( 0.4705882 0.2716942 0.3001826), wk = 0.0027322 k( 320) = ( 0.4669118 0.2695716 0.3121899), wk = 0.0027322 k( 321) = ( 0.4632353 0.2674490 0.3241972), wk = 0.0027322 k( 322) = ( 0.4595588 0.2653264 0.3362045), wk = 0.0027322 k( 323) = ( 0.4558823 0.2632038 0.3482118), wk = 0.0027322 k( 324) = ( 0.4522059 0.2610812 0.3602191), wk = 0.0027322 k( 325) = ( 0.4485294 0.2589586 0.3722264), wk = 0.0027322 k( 326) = ( 0.4448529 0.2568360 0.3842337), wk = 0.0027322 k( 327) = ( 0.4411765 0.2547134 0.3962410), wk = 0.0027322 k( 328) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0027322 k( 329) = ( 0.4338235 0.2504681 0.4202556), wk = 0.0027322 k( 330) = ( 0.4301471 0.2483455 0.4322629), wk = 0.0027322 k( 331) = ( 0.4264706 0.2462229 0.4442702), wk = 0.0027322 k( 332) = ( 0.4227941 0.2441003 0.4562775), wk = 0.0027322 k( 333) = ( 0.4191177 0.2419777 0.4682848), wk = 0.0027322 k( 334) = ( 0.4154412 0.2398551 0.4802921), wk = 0.0027322 k( 335) = ( 0.4117647 0.2377325 0.4922994), wk = 0.0027322 k( 336) = ( 0.4080882 0.2356099 0.5043067), wk = 0.0027322 k( 337) = ( 0.4044118 0.2334872 0.5163140), wk = 0.0027322 k( 338) = ( 0.4007353 0.2313646 0.5283213), wk = 0.0027322 k( 339) = ( 0.3970588 0.2292420 0.5403286), wk = 0.0027322 k( 340) = ( 0.3933823 0.2271194 0.5523359), wk = 0.0027322 k( 341) = ( 0.3897059 0.2249968 0.5643432), wk = 0.0027322 k( 342) = ( 0.3860294 0.2228742 0.5763505), wk = 0.0027322 k( 343) = ( 0.3823529 0.2207516 0.5883578), wk = 0.0027322 k( 344) = ( 0.3786765 0.2186290 0.6003651), wk = 0.0027322 k( 345) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027322 k( 346) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027322 k( 347) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0027322 k( 348) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0027322 k( 349) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0027322 k( 350) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0027322 k( 351) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0027322 k( 352) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0027322 k( 353) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0027322 k( 354) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0027322 k( 355) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0027322 k( 356) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0027322 k( 357) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0027322 k( 358) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0027322 k( 359) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0027322 k( 360) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0027322 k( 361) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0027322 k( 362) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0027322 k( 363) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0027322 k( 364) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0027322 k( 365) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0027322 k( 366) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0090909 0.0000000 0.0090909), wk = 0.0027322 k( 3) = ( 0.0181818 0.0000000 0.0181818), wk = 0.0027322 k( 4) = ( 0.0272727 -0.0000000 0.0272727), wk = 0.0027322 k( 5) = ( 0.0363636 0.0000000 0.0363636), wk = 0.0027322 k( 6) = ( 0.0454546 -0.0000000 0.0454545), wk = 0.0027322 k( 7) = ( 0.0545455 -0.0000000 0.0545455), wk = 0.0027322 k( 8) = ( 0.0636364 0.0000000 0.0636364), wk = 0.0027322 k( 9) = ( 0.0727273 -0.0000000 0.0727273), wk = 0.0027322 k( 10) = ( 0.0818182 0.0000000 0.0818182), wk = 0.0027322 k( 11) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0027322 k( 12) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0027322 k( 13) = ( 0.1090909 -0.0000000 0.1090909), wk = 0.0027322 k( 14) = ( 0.1181818 -0.0000000 0.1181818), wk = 0.0027322 k( 15) = ( 0.1272727 -0.0000000 0.1272727), wk = 0.0027322 k( 16) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0027322 k( 17) = ( 0.1454545 -0.0000000 0.1454545), wk = 0.0027322 k( 18) = ( 0.1545455 0.0000000 0.1545455), wk = 0.0027322 k( 19) = ( 0.1636364 0.0000000 0.1636364), wk = 0.0027322 k( 20) = ( 0.1727273 -0.0000000 0.1727273), wk = 0.0027322 k( 21) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0027322 k( 22) = ( 0.1909091 0.0000000 0.1909091), wk = 0.0027322 k( 23) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0027322 k( 24) = ( 0.2090909 0.0000000 0.2090909), wk = 0.0027322 k( 25) = ( 0.2181818 -0.0000000 0.2181818), wk = 0.0027322 k( 26) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0027322 k( 27) = ( 0.2363636 -0.0000000 0.2363636), wk = 0.0027322 k( 28) = ( 0.2454545 -0.0000000 0.2454545), wk = 0.0027322 k( 29) = ( 0.2545455 0.0000000 0.2545455), wk = 0.0027322 k( 30) = ( 0.2636364 0.0000000 0.2636364), wk = 0.0027322 k( 31) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0027322 k( 32) = ( 0.2818182 -0.0000000 0.2818182), wk = 0.0027322 k( 33) = ( 0.2909091 0.0000000 0.2909091), wk = 0.0027322 k( 34) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0027322 k( 35) = ( 0.3090909 -0.0000000 0.3090909), wk = 0.0027322 k( 36) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0027322 k( 37) = ( 0.3272727 -0.0000000 0.3272727), wk = 0.0027322 k( 38) = ( 0.3363636 0.0000000 0.3363636), wk = 0.0027322 k( 39) = ( 0.3454546 -0.0000000 0.3454546), wk = 0.0027322 k( 40) = ( 0.3545454 -0.0000000 0.3545454), wk = 0.0027322 k( 41) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0027322 k( 42) = ( 0.3727273 -0.0000000 0.3727273), wk = 0.0027322 k( 43) = ( 0.3818182 0.0000000 0.3818182), wk = 0.0027322 k( 44) = ( 0.3909091 0.0000000 0.3909091), wk = 0.0027322 k( 45) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0027322 k( 46) = ( 0.4090909 -0.0000000 0.4090909), wk = 0.0027322 k( 47) = ( 0.4181818 0.0000000 0.4181818), wk = 0.0027322 k( 48) = ( 0.4272727 -0.0000000 0.4272727), wk = 0.0027322 k( 49) = ( 0.4363636 -0.0000000 0.4363636), wk = 0.0027322 k( 50) = ( 0.4454546 -0.0000000 0.4454546), wk = 0.0027322 k( 51) = ( 0.4545455 -0.0000000 0.4545455), wk = 0.0027322 k( 52) = ( 0.4636364 0.0000000 0.4636364), wk = 0.0027322 k( 53) = ( 0.4727273 -0.0000000 0.4727273), wk = 0.0027322 k( 54) = ( 0.4818182 0.0000000 0.4818182), wk = 0.0027322 k( 55) = ( 0.4909091 -0.0000000 0.4909091), wk = 0.0027322 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 k( 57) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 k( 58) = ( 0.5000000 0.0089286 0.5089286), wk = 0.0027322 k( 59) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0027322 k( 60) = ( 0.5000000 0.0267857 0.5267857), wk = 0.0027322 k( 61) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0027322 k( 62) = ( 0.5000000 0.0446429 0.5446429), wk = 0.0027322 k( 63) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0027322 k( 64) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0027322 k( 65) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0027322 k( 66) = ( 0.5000000 0.0803571 0.5803571), wk = 0.0027322 k( 67) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0027322 k( 68) = ( 0.5000000 0.0982143 0.5982143), wk = 0.0027322 k( 69) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0027322 k( 70) = ( 0.5000000 0.1160714 0.6160714), wk = 0.0027322 k( 71) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0027322 k( 72) = ( 0.5000000 0.1339286 0.6339286), wk = 0.0027322 k( 73) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0027322 k( 74) = ( 0.5000000 0.1517857 0.6517857), wk = 0.0027322 k( 75) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0027322 k( 76) = ( 0.5000000 0.1696429 0.6696429), wk = 0.0027322 k( 77) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0027322 k( 78) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0027322 k( 79) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0027322 k( 80) = ( 0.5000000 0.2053571 0.7053571), wk = 0.0027322 k( 81) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0027322 k( 82) = ( 0.5000000 0.2232143 0.7232143), wk = 0.0027322 k( 83) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0027322 k( 84) = ( 0.5000000 0.2410714 0.7410714), wk = 0.0027322 k( 85) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027322 k( 86) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027322 k( 87) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0027322 k( 88) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0027322 k( 89) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0027322 k( 90) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0027322 k( 91) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0027322 k( 92) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0027322 k( 93) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0027322 k( 94) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0027322 k( 95) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0027322 k( 96) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0027322 k( 97) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0027322 k( 98) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0027322 k( 99) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0027322 k( 100) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0027322 k( 101) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0027322 k( 102) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0027322 k( 103) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0027322 k( 104) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0027322 k( 105) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0027322 k( 106) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027322 k( 107) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027322 k( 108) = ( 0.3685345 0.3685345 0.7370690), wk = 0.0027322 k( 109) = ( 0.3620690 0.3620690 0.7241379), wk = 0.0027322 k( 110) = ( 0.3556034 0.3556034 0.7112069), wk = 0.0027322 k( 111) = ( 0.3491379 0.3491379 0.6982759), wk = 0.0027322 k( 112) = ( 0.3426724 0.3426724 0.6853448), wk = 0.0027322 k( 113) = ( 0.3362069 0.3362069 0.6724138), wk = 0.0027322 k( 114) = ( 0.3297414 0.3297414 0.6594828), wk = 0.0027322 k( 115) = ( 0.3232759 0.3232759 0.6465517), wk = 0.0027322 k( 116) = ( 0.3168103 0.3168103 0.6336207), wk = 0.0027322 k( 117) = ( 0.3103448 0.3103448 0.6206897), wk = 0.0027322 k( 118) = ( 0.3038793 0.3038793 0.6077586), wk = 0.0027322 k( 119) = ( 0.2974138 0.2974138 0.5948276), wk = 0.0027322 k( 120) = ( 0.2909483 0.2909483 0.5818965), wk = 0.0027322 k( 121) = ( 0.2844828 0.2844828 0.5689655), wk = 0.0027322 k( 122) = ( 0.2780172 0.2780172 0.5560345), wk = 0.0027322 k( 123) = ( 0.2715517 0.2715517 0.5431035), wk = 0.0027322 k( 124) = ( 0.2650862 0.2650862 0.5301724), wk = 0.0027322 k( 125) = ( 0.2586207 0.2586207 0.5172414), wk = 0.0027322 k( 126) = ( 0.2521552 0.2521552 0.5043103), wk = 0.0027322 k( 127) = ( 0.2456897 0.2456897 0.4913793), wk = 0.0027322 k( 128) = ( 0.2392241 0.2392241 0.4784483), wk = 0.0027322 k( 129) = ( 0.2327586 0.2327586 0.4655172), wk = 0.0027322 k( 130) = ( 0.2262931 0.2262931 0.4525862), wk = 0.0027322 k( 131) = ( 0.2198276 0.2198276 0.4396552), wk = 0.0027322 k( 132) = ( 0.2133621 0.2133621 0.4267241), wk = 0.0027322 k( 133) = ( 0.2068966 0.2068966 0.4137931), wk = 0.0027322 k( 134) = ( 0.2004310 0.2004310 0.4008621), wk = 0.0027322 k( 135) = ( 0.1939655 0.1939655 0.3879310), wk = 0.0027322 k( 136) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0027322 k( 137) = ( 0.1810345 0.1810345 0.3620690), wk = 0.0027322 k( 138) = ( 0.1745690 0.1745690 0.3491379), wk = 0.0027322 k( 139) = ( 0.1681034 0.1681034 0.3362069), wk = 0.0027322 k( 140) = ( 0.1616379 0.1616379 0.3232759), wk = 0.0027322 k( 141) = ( 0.1551724 0.1551724 0.3103448), wk = 0.0027322 k( 142) = ( 0.1487069 0.1487069 0.2974138), wk = 0.0027322 k( 143) = ( 0.1422414 0.1422414 0.2844828), wk = 0.0027322 k( 144) = ( 0.1357759 0.1357759 0.2715517), wk = 0.0027322 k( 145) = ( 0.1293103 0.1293103 0.2586207), wk = 0.0027322 k( 146) = ( 0.1228448 0.1228448 0.2456897), wk = 0.0027322 k( 147) = ( 0.1163793 0.1163793 0.2327586), wk = 0.0027322 k( 148) = ( 0.1099138 0.1099138 0.2198276), wk = 0.0027322 k( 149) = ( 0.1034483 0.1034483 0.2068966), wk = 0.0027322 k( 150) = ( 0.0969828 0.0969828 0.1939655), wk = 0.0027322 k( 151) = ( 0.0905172 0.0905172 0.1810345), wk = 0.0027322 k( 152) = ( 0.0840517 0.0840517 0.1681034), wk = 0.0027322 k( 153) = ( 0.0775862 0.0775862 0.1551724), wk = 0.0027322 k( 154) = ( 0.0711207 0.0711207 0.1422414), wk = 0.0027322 k( 155) = ( 0.0646552 0.0646552 0.1293103), wk = 0.0027322 k( 156) = ( 0.0581897 0.0581897 0.1163793), wk = 0.0027322 k( 157) = ( 0.0517241 0.0517241 0.1034483), wk = 0.0027322 k( 158) = ( 0.0452586 0.0452586 0.0905172), wk = 0.0027322 k( 159) = ( 0.0387931 0.0387931 0.0775862), wk = 0.0027322 k( 160) = ( 0.0323276 0.0323276 0.0646552), wk = 0.0027322 k( 161) = ( 0.0258621 0.0258621 0.0517241), wk = 0.0027322 k( 162) = ( 0.0193965 0.0193966 0.0387931), wk = 0.0027322 k( 163) = ( 0.0129310 0.0129310 0.0258621), wk = 0.0027322 k( 164) = ( 0.0064655 0.0064655 0.0129310), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 167) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0027322 k( 168) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0027322 k( 169) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0027322 k( 170) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0027322 k( 171) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0027322 k( 172) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027322 k( 173) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0027322 k( 174) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0027322 k( 175) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0027322 k( 176) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0027322 k( 177) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0027322 k( 178) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027322 k( 179) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0027322 k( 180) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0027322 k( 181) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0027322 k( 182) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027322 k( 183) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0027322 k( 184) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027322 k( 185) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0027322 k( 186) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0027322 k( 187) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0027322 k( 188) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0027322 k( 189) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0027322 k( 190) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027322 k( 191) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0027322 k( 192) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0027322 k( 193) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0027322 k( 194) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0027322 k( 195) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0027322 k( 196) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027322 k( 197) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0027322 k( 198) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027322 k( 199) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0027322 k( 200) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0027322 k( 201) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0027322 k( 202) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027322 k( 203) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0027322 k( 204) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0027322 k( 205) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0027322 k( 206) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0027322 k( 207) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0027322 k( 208) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027322 k( 209) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0027322 k( 210) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0027322 k( 211) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0027322 k( 212) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0027322 k( 213) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0027322 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 216) = ( 0.5036765 0.4926471 0.5036765), wk = 0.0027322 k( 217) = ( 0.5073529 0.4852941 0.5073529), wk = 0.0027322 k( 218) = ( 0.5110294 0.4779412 0.5110294), wk = 0.0027322 k( 219) = ( 0.5147059 0.4705882 0.5147059), wk = 0.0027322 k( 220) = ( 0.5183823 0.4632353 0.5183823), wk = 0.0027322 k( 221) = ( 0.5220588 0.4558824 0.5220588), wk = 0.0027322 k( 222) = ( 0.5257353 0.4485294 0.5257353), wk = 0.0027322 k( 223) = ( 0.5294118 0.4411765 0.5294118), wk = 0.0027322 k( 224) = ( 0.5330882 0.4338235 0.5330882), wk = 0.0027322 k( 225) = ( 0.5367647 0.4264706 0.5367647), wk = 0.0027322 k( 226) = ( 0.5404412 0.4191177 0.5404412), wk = 0.0027322 k( 227) = ( 0.5441177 0.4117647 0.5441177), wk = 0.0027322 k( 228) = ( 0.5477941 0.4044118 0.5477941), wk = 0.0027322 k( 229) = ( 0.5514706 0.3970588 0.5514706), wk = 0.0027322 k( 230) = ( 0.5551471 0.3897059 0.5551471), wk = 0.0027322 k( 231) = ( 0.5588235 0.3823529 0.5588235), wk = 0.0027322 k( 232) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0027322 k( 233) = ( 0.5661765 0.3676471 0.5661765), wk = 0.0027322 k( 234) = ( 0.5698529 0.3602941 0.5698529), wk = 0.0027322 k( 235) = ( 0.5735294 0.3529412 0.5735294), wk = 0.0027322 k( 236) = ( 0.5772059 0.3455882 0.5772059), wk = 0.0027322 k( 237) = ( 0.5808823 0.3382353 0.5808823), wk = 0.0027322 k( 238) = ( 0.5845588 0.3308824 0.5845588), wk = 0.0027322 k( 239) = ( 0.5882353 0.3235294 0.5882353), wk = 0.0027322 k( 240) = ( 0.5919118 0.3161765 0.5919118), wk = 0.0027322 k( 241) = ( 0.5955882 0.3088235 0.5955882), wk = 0.0027322 k( 242) = ( 0.5992647 0.3014706 0.5992647), wk = 0.0027322 k( 243) = ( 0.6029412 0.2941177 0.6029412), wk = 0.0027322 k( 244) = ( 0.6066177 0.2867647 0.6066177), wk = 0.0027322 k( 245) = ( 0.6102941 0.2794118 0.6102941), wk = 0.0027322 k( 246) = ( 0.6139706 0.2720588 0.6139706), wk = 0.0027322 k( 247) = ( 0.6176471 0.2647059 0.6176471), wk = 0.0027322 k( 248) = ( 0.6213235 0.2573529 0.6213235), wk = 0.0027322 k( 249) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027322 k( 250) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027322 k( 251) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0027322 k( 252) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0027322 k( 253) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0027322 k( 254) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0027322 k( 255) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0027322 k( 256) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0027322 k( 257) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0027322 k( 258) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0027322 k( 259) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0027322 k( 260) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0027322 k( 261) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0027322 k( 262) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0027322 k( 263) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0027322 k( 264) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0027322 k( 265) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0027322 k( 266) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0027322 k( 267) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0027322 k( 268) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0027322 k( 269) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0027322 k( 270) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027322 k( 271) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027322 k( 272) = ( 0.5000000 0.2564103 0.7435897), wk = 0.0027322 k( 273) = ( 0.5000000 0.2628205 0.7371795), wk = 0.0027322 k( 274) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0027322 k( 275) = ( 0.5000000 0.2756410 0.7243590), wk = 0.0027322 k( 276) = ( 0.5000000 0.2820513 0.7179487), wk = 0.0027322 k( 277) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0027322 k( 278) = ( 0.5000000 0.2948718 0.7051282), wk = 0.0027322 k( 279) = ( 0.5000000 0.3012821 0.6987180), wk = 0.0027322 k( 280) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0027322 k( 281) = ( 0.5000000 0.3141026 0.6858974), wk = 0.0027322 k( 282) = ( 0.5000000 0.3205128 0.6794872), wk = 0.0027322 k( 283) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0027322 k( 284) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0027322 k( 285) = ( 0.5000000 0.3397436 0.6602564), wk = 0.0027322 k( 286) = ( 0.5000000 0.3461538 0.6538462), wk = 0.0027322 k( 287) = ( 0.5000000 0.3525641 0.6474359), wk = 0.0027322 k( 288) = ( 0.5000000 0.3589744 0.6410256), wk = 0.0027322 k( 289) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0027322 k( 290) = ( 0.5000000 0.3717949 0.6282051), wk = 0.0027322 k( 291) = ( 0.5000000 0.3782051 0.6217949), wk = 0.0027322 k( 292) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0027322 k( 293) = ( 0.5000000 0.3910256 0.6089744), wk = 0.0027322 k( 294) = ( 0.5000000 0.3974359 0.6025641), wk = 0.0027322 k( 295) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0027322 k( 296) = ( 0.5000000 0.4102564 0.5897436), wk = 0.0027322 k( 297) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0027322 k( 298) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0027322 k( 299) = ( 0.5000000 0.4294872 0.5705128), wk = 0.0027322 k( 300) = ( 0.5000000 0.4358974 0.5641026), wk = 0.0027322 k( 301) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0027322 k( 302) = ( 0.5000000 0.4487180 0.5512820), wk = 0.0027322 k( 303) = ( 0.5000000 0.4551282 0.5448718), wk = 0.0027322 k( 304) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0027322 k( 305) = ( 0.5000000 0.4679487 0.5320513), wk = 0.0027322 k( 306) = ( 0.5000000 0.4743590 0.5256410), wk = 0.0027322 k( 307) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0027322 k( 308) = ( 0.5000000 0.4871795 0.5128205), wk = 0.0027322 k( 309) = ( 0.5000000 0.4935897 0.5064103), wk = 0.0027322 k( 310) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 311) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 312) = ( 0.4963235 0.4963235 0.5073529), wk = 0.0027322 k( 313) = ( 0.4926471 0.4926471 0.5147059), wk = 0.0027322 k( 314) = ( 0.4889706 0.4889706 0.5220588), wk = 0.0027322 k( 315) = ( 0.4852941 0.4852941 0.5294118), wk = 0.0027322 k( 316) = ( 0.4816177 0.4816177 0.5367647), wk = 0.0027322 k( 317) = ( 0.4779412 0.4779412 0.5441177), wk = 0.0027322 k( 318) = ( 0.4742647 0.4742647 0.5514706), wk = 0.0027322 k( 319) = ( 0.4705882 0.4705882 0.5588235), wk = 0.0027322 k( 320) = ( 0.4669118 0.4669118 0.5661765), wk = 0.0027322 k( 321) = ( 0.4632353 0.4632353 0.5735294), wk = 0.0027322 k( 322) = ( 0.4595588 0.4595588 0.5808823), wk = 0.0027322 k( 323) = ( 0.4558823 0.4558824 0.5882353), wk = 0.0027322 k( 324) = ( 0.4522059 0.4522059 0.5955882), wk = 0.0027322 k( 325) = ( 0.4485294 0.4485294 0.6029412), wk = 0.0027322 k( 326) = ( 0.4448529 0.4448529 0.6102941), wk = 0.0027322 k( 327) = ( 0.4411765 0.4411765 0.6176471), wk = 0.0027322 k( 328) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0027322 k( 329) = ( 0.4338235 0.4338235 0.6323529), wk = 0.0027322 k( 330) = ( 0.4301471 0.4301471 0.6397059), wk = 0.0027322 k( 331) = ( 0.4264706 0.4264706 0.6470588), wk = 0.0027322 k( 332) = ( 0.4227941 0.4227941 0.6544118), wk = 0.0027322 k( 333) = ( 0.4191177 0.4191177 0.6617647), wk = 0.0027322 k( 334) = ( 0.4154412 0.4154412 0.6691177), wk = 0.0027322 k( 335) = ( 0.4117647 0.4117647 0.6764706), wk = 0.0027322 k( 336) = ( 0.4080882 0.4080882 0.6838235), wk = 0.0027322 k( 337) = ( 0.4044118 0.4044118 0.6911765), wk = 0.0027322 k( 338) = ( 0.4007353 0.4007353 0.6985294), wk = 0.0027322 k( 339) = ( 0.3970588 0.3970588 0.7058823), wk = 0.0027322 k( 340) = ( 0.3933823 0.3933824 0.7132353), wk = 0.0027322 k( 341) = ( 0.3897059 0.3897059 0.7205882), wk = 0.0027322 k( 342) = ( 0.3860294 0.3860294 0.7279412), wk = 0.0027322 k( 343) = ( 0.3823529 0.3823529 0.7352941), wk = 0.0027322 k( 344) = ( 0.3786765 0.3786765 0.7426471), wk = 0.0027322 k( 345) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027322 k( 346) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027322 k( 347) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0027322 k( 348) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0027322 k( 349) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0027322 k( 350) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0027322 k( 351) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0027322 k( 352) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0027322 k( 353) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0027322 k( 354) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0027322 k( 355) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0027322 k( 356) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0027322 k( 357) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0027322 k( 358) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0027322 k( 359) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0027322 k( 360) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0027322 k( 361) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0027322 k( 362) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0027322 k( 363) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0027322 k( 364) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0027322 k( 365) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0027322 k( 366) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 Dense grid: 19795 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 13539 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 106, 36) NL pseudopotentials 0.09 Mb ( 53, 116) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 552) G-vector shells 0.00 Mb ( 197) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 106, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.13 Mb ( 116, 2, 36) The potential is recalculated from file : ./Fe3Ge.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 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.3 secs Computing kpt #: 8 total cpu time spent up to now is 3.5 secs Computing kpt #: 9 total cpu time spent up to now is 3.8 secs Computing kpt #: 10 total cpu time spent up to now is 4.0 secs Computing kpt #: 11 total cpu time spent up to now is 4.2 secs Computing kpt #: 12 total cpu time spent up to now is 4.5 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 4.9 secs Computing kpt #: 15 total cpu time spent up to now is 5.2 secs Computing kpt #: 16 total cpu time spent up to now is 5.4 secs Computing kpt #: 17 total cpu time spent up to now is 5.7 secs Computing kpt #: 18 total cpu time spent up to now is 5.9 secs Computing kpt #: 19 total cpu time spent up to now is 6.1 secs Computing kpt #: 20 total cpu time spent up to now is 6.4 secs Computing kpt #: 21 total cpu time spent up to now is 6.6 secs Computing kpt #: 22 total cpu time spent up to now is 6.9 secs Computing kpt #: 23 total cpu time spent up to now is 7.1 secs Computing kpt #: 24 total cpu time spent up to now is 7.4 secs Computing kpt #: 25 total cpu time spent up to now is 7.6 secs Computing kpt #: 26 total cpu time spent up to now is 7.8 secs Computing kpt #: 27 total cpu time spent up to now is 8.1 secs Computing kpt #: 28 total cpu time spent up to now is 8.3 secs Computing kpt #: 29 total cpu time spent up to now is 8.5 secs Computing kpt #: 30 total cpu time spent up to now is 8.8 secs Computing kpt #: 31 total cpu time spent up to now is 9.0 secs Computing kpt #: 32 total cpu time spent up to now is 9.3 secs Computing kpt #: 33 total cpu time spent up to now is 9.5 secs Computing kpt #: 34 total cpu time spent up to now is 9.8 secs Computing kpt #: 35 total cpu time spent up to now is 10.0 secs Computing kpt #: 36 total cpu time spent up to now is 10.3 secs Computing kpt #: 37 total cpu time spent up to now is 10.5 secs Computing kpt #: 38 total cpu time spent up to now is 10.7 secs Computing kpt #: 39 total cpu time spent up to now is 11.0 secs Computing kpt #: 40 total cpu time spent up to now is 11.2 secs Computing kpt #: 41 total cpu time spent up to now is 11.4 secs Computing kpt #: 42 total cpu time spent up to now is 11.7 secs Computing kpt #: 43 total cpu time spent up to now is 11.9 secs Computing kpt #: 44 total cpu time spent up to now is 12.2 secs Computing kpt #: 45 total cpu time spent up to now is 12.4 secs Computing kpt #: 46 total cpu time spent up to now is 12.6 secs Computing kpt #: 47 total cpu time spent up to now is 12.9 secs Computing kpt #: 48 total cpu time spent up to now is 13.1 secs Computing kpt #: 49 total cpu time spent up to now is 13.3 secs Computing kpt #: 50 total cpu time spent up to now is 13.5 secs Computing kpt #: 51 total cpu time spent up to now is 13.7 secs Computing kpt #: 52 total cpu time spent up to now is 13.9 secs Computing kpt #: 53 total cpu time spent up to now is 14.1 secs Computing kpt #: 54 total cpu time spent up to now is 14.3 secs Computing kpt #: 55 total cpu time spent up to now is 14.5 secs Computing kpt #: 56 total cpu time spent up to now is 14.7 secs Computing kpt #: 57 total cpu time spent up to now is 14.9 secs Computing kpt #: 58 total cpu time spent up to now is 15.1 secs Computing kpt #: 59 total cpu time spent up to now is 15.3 secs Computing kpt #: 60 total cpu time spent up to now is 15.5 secs Computing kpt #: 61 total cpu time spent up to now is 15.7 secs Computing kpt #: 62 total cpu time spent up to now is 16.0 secs Computing kpt #: 63 total cpu time spent up to now is 16.2 secs Computing kpt #: 64 total cpu time spent up to now is 16.4 secs Computing kpt #: 65 total cpu time spent up to now is 16.6 secs Computing kpt #: 66 total cpu time spent up to now is 16.8 secs Computing kpt #: 67 total cpu time spent up to now is 17.0 secs Computing kpt #: 68 total cpu time spent up to now is 17.3 secs Computing kpt #: 69 total cpu time spent up to now is 17.5 secs Computing kpt #: 70 total cpu time spent up to now is 17.7 secs Computing kpt #: 71 total cpu time spent up to now is 17.9 secs Computing kpt #: 72 total cpu time spent up to now is 18.1 secs Computing kpt #: 73 total cpu time spent up to now is 18.3 secs Computing kpt #: 74 total cpu time spent up to now is 18.5 secs Computing kpt #: 75 total cpu time spent up to now is 18.7 secs Computing kpt #: 76 total cpu time spent up to now is 18.9 secs Computing kpt #: 77 total cpu time spent up to now is 19.1 secs Computing kpt #: 78 total cpu time spent up to now is 19.3 secs Computing kpt #: 79 total cpu time spent up to now is 19.5 secs Computing kpt #: 80 total cpu time spent up to now is 19.7 secs Computing kpt #: 81 total cpu time spent up to now is 19.9 secs Computing kpt #: 82 total cpu time spent up to now is 20.1 secs Computing kpt #: 83 total cpu time spent up to now is 20.3 secs Computing kpt #: 84 total cpu time spent up to now is 20.5 secs Computing kpt #: 85 total cpu time spent up to now is 20.7 secs Computing kpt #: 86 total cpu time spent up to now is 20.9 secs Computing kpt #: 87 total cpu time spent up to now is 21.1 secs Computing kpt #: 88 total cpu time spent up to now is 21.3 secs Computing kpt #: 89 total cpu time spent up to now is 21.5 secs Computing kpt #: 90 total cpu time spent up to now is 21.7 secs Computing kpt #: 91 total cpu time spent up to now is 21.9 secs Computing kpt #: 92 total cpu time spent up to now is 22.1 secs Computing kpt #: 93 total cpu time spent up to now is 22.3 secs Computing kpt #: 94 total cpu time spent up to now is 22.5 secs Computing kpt #: 95 total cpu time spent up to now is 22.7 secs Computing kpt #: 96 total cpu time spent up to now is 22.9 secs Computing kpt #: 97 total cpu time spent up to now is 23.2 secs Computing kpt #: 98 total cpu time spent up to now is 23.4 secs Computing kpt #: 99 total cpu time spent up to now is 23.7 secs Computing kpt #: 100 total cpu time spent up to now is 24.0 secs Computing kpt #: 101 total cpu time spent up to now is 24.2 secs Computing kpt #: 102 total cpu time spent up to now is 24.4 secs Computing kpt #: 103 total cpu time spent up to now is 24.6 secs Computing kpt #: 104 total cpu time spent up to now is 24.8 secs Computing kpt #: 105 total cpu time spent up to now is 25.0 secs Computing kpt #: 106 total cpu time spent up to now is 25.2 secs Computing kpt #: 107 total cpu time spent up to now is 25.4 secs Computing kpt #: 108 total cpu time spent up to now is 25.6 secs Computing kpt #: 109 total cpu time spent up to now is 25.8 secs Computing kpt #: 110 total cpu time spent up to now is 26.0 secs Computing kpt #: 111 total cpu time spent up to now is 26.2 secs Computing kpt #: 112 total cpu time spent up to now is 26.4 secs Computing kpt #: 113 total cpu time spent up to now is 26.5 secs Computing kpt #: 114 total cpu time spent up to now is 26.7 secs Computing kpt #: 115 total cpu time spent up to now is 26.9 secs Computing kpt #: 116 total cpu time spent up to now is 27.1 secs Computing kpt #: 117 total cpu time spent up to now is 27.3 secs Computing kpt #: 118 total cpu time spent up to now is 27.4 secs Computing kpt #: 119 total cpu time spent up to now is 27.6 secs Computing kpt #: 120 total cpu time spent up to now is 27.8 secs Computing kpt #: 121 total cpu time spent up to now is 28.0 secs Computing kpt #: 122 total cpu time spent up to now is 28.1 secs Computing kpt #: 123 total cpu time spent up to now is 28.3 secs Computing kpt #: 124 total cpu time spent up to now is 28.5 secs Computing kpt #: 125 total cpu time spent up to now is 28.7 secs Computing kpt #: 126 total cpu time spent up to now is 28.8 secs Computing kpt #: 127 total cpu time spent up to now is 29.0 secs Computing kpt #: 128 total cpu time spent up to now is 29.2 secs Computing kpt #: 129 total cpu time spent up to now is 29.4 secs Computing kpt #: 130 total cpu time spent up to now is 29.6 secs Computing kpt #: 131 total cpu time spent up to now is 29.7 secs Computing kpt #: 132 total cpu time spent up to now is 29.9 secs Computing kpt #: 133 total cpu time spent up to now is 30.1 secs Computing kpt #: 134 total cpu time spent up to now is 30.3 secs Computing kpt #: 135 total cpu time spent up to now is 30.5 secs Computing kpt #: 136 total cpu time spent up to now is 30.6 secs Computing kpt #: 137 total cpu time spent up to now is 30.8 secs Computing kpt #: 138 total cpu time spent up to now is 31.0 secs Computing kpt #: 139 total cpu time spent up to now is 31.2 secs Computing kpt #: 140 total cpu time spent up to now is 31.4 secs Computing kpt #: 141 total cpu time spent up to now is 31.5 secs Computing kpt #: 142 total cpu time spent up to now is 31.7 secs Computing kpt #: 143 total cpu time spent up to now is 31.9 secs Computing kpt #: 144 total cpu time spent up to now is 32.1 secs Computing kpt #: 145 total cpu time spent up to now is 32.3 secs Computing kpt #: 146 total cpu time spent up to now is 32.5 secs Computing kpt #: 147 total cpu time spent up to now is 32.7 secs Computing kpt #: 148 total cpu time spent up to now is 32.9 secs Computing kpt #: 149 total cpu time spent up to now is 33.1 secs Computing kpt #: 150 total cpu time spent up to now is 33.3 secs Computing kpt #: 151 total cpu time spent up to now is 33.5 secs Computing kpt #: 152 total cpu time spent up to now is 33.7 secs Computing kpt #: 153 total cpu time spent up to now is 33.9 secs Computing kpt #: 154 total cpu time spent up to now is 34.2 secs Computing kpt #: 155 total cpu time spent up to now is 34.4 secs Computing kpt #: 156 total cpu time spent up to now is 34.6 secs Computing kpt #: 157 total cpu time spent up to now is 34.8 secs Computing kpt #: 158 total cpu time spent up to now is 35.1 secs Computing kpt #: 159 total cpu time spent up to now is 35.3 secs Computing kpt #: 160 total cpu time spent up to now is 35.6 secs Computing kpt #: 161 total cpu time spent up to now is 35.8 secs Computing kpt #: 162 total cpu time spent up to now is 36.0 secs Computing kpt #: 163 total cpu time spent up to now is 36.3 secs Computing kpt #: 164 total cpu time spent up to now is 36.5 secs Computing kpt #: 165 total cpu time spent up to now is 36.7 secs Computing kpt #: 166 total cpu time spent up to now is 36.9 secs Computing kpt #: 167 total cpu time spent up to now is 37.1 secs Computing kpt #: 168 total cpu time spent up to now is 37.4 secs Computing kpt #: 169 total cpu time spent up to now is 37.6 secs Computing kpt #: 170 total cpu time spent up to now is 37.9 secs Computing kpt #: 171 total cpu time spent up to now is 38.1 secs Computing kpt #: 172 total cpu time spent up to now is 38.4 secs Computing kpt #: 173 total cpu time spent up to now is 38.6 secs Computing kpt #: 174 total cpu time spent up to now is 38.9 secs Computing kpt #: 175 total cpu time spent up to now is 39.1 secs Computing kpt #: 176 total cpu time spent up to now is 39.4 secs Computing kpt #: 177 total cpu time spent up to now is 39.6 secs Computing kpt #: 178 total cpu time spent up to now is 39.9 secs Computing kpt #: 179 total cpu time spent up to now is 40.2 secs Computing kpt #: 180 total cpu time spent up to now is 40.5 secs Computing kpt #: 181 total cpu time spent up to now is 40.8 secs Computing kpt #: 182 total cpu time spent up to now is 41.1 secs Computing kpt #: 183 total cpu time spent up to now is 41.4 secs Computing kpt #: 184 total cpu time spent up to now is 41.7 secs Computing kpt #: 185 total cpu time spent up to now is 41.9 secs Computing kpt #: 186 total cpu time spent up to now is 42.2 secs Computing kpt #: 187 total cpu time spent up to now is 42.4 secs Computing kpt #: 188 total cpu time spent up to now is 42.7 secs Computing kpt #: 189 total cpu time spent up to now is 42.9 secs Computing kpt #: 190 total cpu time spent up to now is 43.1 secs Computing kpt #: 191 total cpu time spent up to now is 43.3 secs Computing kpt #: 192 total cpu time spent up to now is 43.6 secs Computing kpt #: 193 total cpu time spent up to now is 43.8 secs Computing kpt #: 194 total cpu time spent up to now is 44.0 secs Computing kpt #: 195 total cpu time spent up to now is 44.3 secs Computing kpt #: 196 total cpu time spent up to now is 44.5 secs Computing kpt #: 197 total cpu time spent up to now is 44.7 secs Computing kpt #: 198 total cpu time spent up to now is 44.9 secs Computing kpt #: 199 total cpu time spent up to now is 45.1 secs Computing kpt #: 200 total cpu time spent up to now is 45.3 secs Computing kpt #: 201 total cpu time spent up to now is 45.5 secs Computing kpt #: 202 total cpu time spent up to now is 45.7 secs Computing kpt #: 203 total cpu time spent up to now is 45.9 secs Computing kpt #: 204 total cpu time spent up to now is 46.1 secs Computing kpt #: 205 total cpu time spent up to now is 46.2 secs Computing kpt #: 206 total cpu time spent up to now is 46.4 secs Computing kpt #: 207 total cpu time spent up to now is 46.6 secs Computing kpt #: 208 total cpu time spent up to now is 46.8 secs Computing kpt #: 209 total cpu time spent up to now is 47.0 secs Computing kpt #: 210 total cpu time spent up to now is 47.2 secs Computing kpt #: 211 total cpu time spent up to now is 47.4 secs Computing kpt #: 212 total cpu time spent up to now is 47.6 secs Computing kpt #: 213 total cpu time spent up to now is 47.8 secs Computing kpt #: 214 total cpu time spent up to now is 48.0 secs Computing kpt #: 215 total cpu time spent up to now is 48.2 secs Computing kpt #: 216 total cpu time spent up to now is 48.4 secs Computing kpt #: 217 total cpu time spent up to now is 48.6 secs Computing kpt #: 218 total cpu time spent up to now is 48.8 secs Computing kpt #: 219 total cpu time spent up to now is 49.1 secs Computing kpt #: 220 total cpu time spent up to now is 49.3 secs Computing kpt #: 221 total cpu time spent up to now is 49.5 secs Computing kpt #: 222 total cpu time spent up to now is 49.7 secs Computing kpt #: 223 total cpu time spent up to now is 49.9 secs Computing kpt #: 224 total cpu time spent up to now is 50.1 secs Computing kpt #: 225 total cpu time spent up to now is 50.3 secs Computing kpt #: 226 total cpu time spent up to now is 50.5 secs Computing kpt #: 227 total cpu time spent up to now is 50.7 secs Computing kpt #: 228 total cpu time spent up to now is 50.9 secs Computing kpt #: 229 total cpu time spent up to now is 51.1 secs Computing kpt #: 230 total cpu time spent up to now is 51.3 secs Computing kpt #: 231 total cpu time spent up to now is 51.5 secs Computing kpt #: 232 total cpu time spent up to now is 51.7 secs Computing kpt #: 233 total cpu time spent up to now is 51.8 secs Computing kpt #: 234 total cpu time spent up to now is 52.1 secs Computing kpt #: 235 total cpu time spent up to now is 52.2 secs Computing kpt #: 236 total cpu time spent up to now is 52.4 secs Computing kpt #: 237 total cpu time spent up to now is 52.6 secs Computing kpt #: 238 total cpu time spent up to now is 52.8 secs Computing kpt #: 239 total cpu time spent up to now is 53.0 secs Computing kpt #: 240 total cpu time spent up to now is 53.2 secs Computing kpt #: 241 total cpu time spent up to now is 53.3 secs Computing kpt #: 242 total cpu time spent up to now is 53.5 secs Computing kpt #: 243 total cpu time spent up to now is 53.7 secs Computing kpt #: 244 total cpu time spent up to now is 53.9 secs Computing kpt #: 245 total cpu time spent up to now is 54.1 secs Computing kpt #: 246 total cpu time spent up to now is 54.3 secs Computing kpt #: 247 total cpu time spent up to now is 54.5 secs Computing kpt #: 248 total cpu time spent up to now is 54.7 secs Computing kpt #: 249 total cpu time spent up to now is 54.9 secs Computing kpt #: 250 total cpu time spent up to now is 55.1 secs Computing kpt #: 251 total cpu time spent up to now is 55.3 secs Computing kpt #: 252 total cpu time spent up to now is 55.5 secs Computing kpt #: 253 total cpu time spent up to now is 55.7 secs Computing kpt #: 254 total cpu time spent up to now is 55.8 secs Computing kpt #: 255 total cpu time spent up to now is 56.0 secs Computing kpt #: 256 total cpu time spent up to now is 56.4 secs Computing kpt #: 257 total cpu time spent up to now is 56.7 secs Computing kpt #: 258 total cpu time spent up to now is 56.9 secs Computing kpt #: 259 total cpu time spent up to now is 57.1 secs Computing kpt #: 260 total cpu time spent up to now is 57.3 secs Computing kpt #: 261 total cpu time spent up to now is 57.5 secs Computing kpt #: 262 total cpu time spent up to now is 57.7 secs Computing kpt #: 263 total cpu time spent up to now is 57.9 secs Computing kpt #: 264 total cpu time spent up to now is 58.1 secs Computing kpt #: 265 total cpu time spent up to now is 58.3 secs Computing kpt #: 266 total cpu time spent up to now is 58.5 secs Computing kpt #: 267 total cpu time spent up to now is 58.7 secs Computing kpt #: 268 total cpu time spent up to now is 58.9 secs Computing kpt #: 269 total cpu time spent up to now is 59.1 secs Computing kpt #: 270 total cpu time spent up to now is 59.3 secs Computing kpt #: 271 total cpu time spent up to now is 59.5 secs Computing kpt #: 272 total cpu time spent up to now is 59.7 secs Computing kpt #: 273 total cpu time spent up to now is 59.9 secs Computing kpt #: 274 total cpu time spent up to now is 60.1 secs Computing kpt #: 275 total cpu time spent up to now is 60.3 secs Computing kpt #: 276 total cpu time spent up to now is 60.5 secs Computing kpt #: 277 total cpu time spent up to now is 60.7 secs Computing kpt #: 278 total cpu time spent up to now is 61.0 secs Computing kpt #: 279 total cpu time spent up to now is 61.2 secs Computing kpt #: 280 total cpu time spent up to now is 61.4 secs Computing kpt #: 281 total cpu time spent up to now is 61.7 secs Computing kpt #: 282 total cpu time spent up to now is 61.9 secs Computing kpt #: 283 total cpu time spent up to now is 62.1 secs Computing kpt #: 284 total cpu time spent up to now is 62.3 secs Computing kpt #: 285 total cpu time spent up to now is 62.5 secs Computing kpt #: 286 total cpu time spent up to now is 62.7 secs Computing kpt #: 287 total cpu time spent up to now is 62.9 secs Computing kpt #: 288 total cpu time spent up to now is 63.1 secs Computing kpt #: 289 total cpu time spent up to now is 63.3 secs Computing kpt #: 290 total cpu time spent up to now is 63.4 secs Computing kpt #: 291 total cpu time spent up to now is 63.6 secs Computing kpt #: 292 total cpu time spent up to now is 63.8 secs Computing kpt #: 293 total cpu time spent up to now is 64.0 secs Computing kpt #: 294 total cpu time spent up to now is 64.2 secs Computing kpt #: 295 total cpu time spent up to now is 64.4 secs Computing kpt #: 296 total cpu time spent up to now is 64.6 secs Computing kpt #: 297 total cpu time spent up to now is 64.8 secs Computing kpt #: 298 total cpu time spent up to now is 65.0 secs Computing kpt #: 299 total cpu time spent up to now is 65.2 secs Computing kpt #: 300 total cpu time spent up to now is 65.5 secs Computing kpt #: 301 total cpu time spent up to now is 65.7 secs Computing kpt #: 302 total cpu time spent up to now is 65.9 secs Computing kpt #: 303 total cpu time spent up to now is 66.1 secs Computing kpt #: 304 total cpu time spent up to now is 66.3 secs Computing kpt #: 305 total cpu time spent up to now is 66.5 secs Computing kpt #: 306 total cpu time spent up to now is 66.8 secs Computing kpt #: 307 total cpu time spent up to now is 67.0 secs Computing kpt #: 308 total cpu time spent up to now is 67.3 secs Computing kpt #: 309 total cpu time spent up to now is 67.5 secs Computing kpt #: 310 total cpu time spent up to now is 67.6 secs Computing kpt #: 311 total cpu time spent up to now is 67.8 secs Computing kpt #: 312 total cpu time spent up to now is 68.0 secs Computing kpt #: 313 total cpu time spent up to now is 68.3 secs Computing kpt #: 314 total cpu time spent up to now is 68.5 secs Computing kpt #: 315 total cpu time spent up to now is 68.8 secs Computing kpt #: 316 total cpu time spent up to now is 69.0 secs Computing kpt #: 317 total cpu time spent up to now is 69.2 secs Computing kpt #: 318 total cpu time spent up to now is 69.4 secs Computing kpt #: 319 total cpu time spent up to now is 69.6 secs Computing kpt #: 320 total cpu time spent up to now is 69.8 secs Computing kpt #: 321 total cpu time spent up to now is 70.0 secs Computing kpt #: 322 total cpu time spent up to now is 70.2 secs Computing kpt #: 323 total cpu time spent up to now is 70.4 secs Computing kpt #: 324 total cpu time spent up to now is 70.6 secs Computing kpt #: 325 total cpu time spent up to now is 70.8 secs Computing kpt #: 326 total cpu time spent up to now is 71.0 secs Computing kpt #: 327 total cpu time spent up to now is 71.2 secs Computing kpt #: 328 total cpu time spent up to now is 71.4 secs Computing kpt #: 329 total cpu time spent up to now is 71.6 secs Computing kpt #: 330 total cpu time spent up to now is 71.8 secs Computing kpt #: 331 total cpu time spent up to now is 72.0 secs Computing kpt #: 332 total cpu time spent up to now is 72.1 secs Computing kpt #: 333 total cpu time spent up to now is 72.3 secs Computing kpt #: 334 total cpu time spent up to now is 72.5 secs Computing kpt #: 335 total cpu time spent up to now is 72.7 secs Computing kpt #: 336 total cpu time spent up to now is 72.9 secs Computing kpt #: 337 total cpu time spent up to now is 73.1 secs Computing kpt #: 338 total cpu time spent up to now is 73.2 secs Computing kpt #: 339 total cpu time spent up to now is 73.4 secs Computing kpt #: 340 total cpu time spent up to now is 73.6 secs Computing kpt #: 341 total cpu time spent up to now is 73.9 secs Computing kpt #: 342 total cpu time spent up to now is 74.1 secs Computing kpt #: 343 total cpu time spent up to now is 74.3 secs Computing kpt #: 344 total cpu time spent up to now is 74.5 secs Computing kpt #: 345 total cpu time spent up to now is 74.7 secs Computing kpt #: 346 total cpu time spent up to now is 74.9 secs Computing kpt #: 347 total cpu time spent up to now is 75.1 secs Computing kpt #: 348 total cpu time spent up to now is 75.3 secs Computing kpt #: 349 total cpu time spent up to now is 75.6 secs Computing kpt #: 350 total cpu time spent up to now is 75.8 secs Computing kpt #: 351 total cpu time spent up to now is 76.0 secs Computing kpt #: 352 total cpu time spent up to now is 76.2 secs Computing kpt #: 353 total cpu time spent up to now is 76.5 secs Computing kpt #: 354 total cpu time spent up to now is 76.7 secs Computing kpt #: 355 total cpu time spent up to now is 76.9 secs Computing kpt #: 356 total cpu time spent up to now is 77.1 secs Computing kpt #: 357 total cpu time spent up to now is 77.4 secs Computing kpt #: 358 total cpu time spent up to now is 77.6 secs Computing kpt #: 359 total cpu time spent up to now is 77.8 secs Computing kpt #: 360 total cpu time spent up to now is 78.0 secs Computing kpt #: 361 total cpu time spent up to now is 78.2 secs Computing kpt #: 362 total cpu time spent up to now is 78.4 secs Computing kpt #: 363 total cpu time spent up to now is 78.6 secs Computing kpt #: 364 total cpu time spent up to now is 78.9 secs Computing kpt #: 365 total cpu time spent up to now is 79.1 secs Computing kpt #: 366 total cpu time spent up to now is 79.3 secs ethr = 3.57E-08, avg # of iterations = 18.2 total cpu time spent up to now is 79.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1687 PWs) bands (ev): 1.1304 1.1304 9.0091 9.0091 9.0627 9.0627 9.0627 9.0627 9.5923 9.5923 9.5923 9.5923 10.9497 10.9497 10.9497 10.9497 10.9927 10.9927 12.7771 12.7771 12.7771 12.7771 12.8545 12.8545 13.1713 13.1713 13.1713 13.1713 13.1999 13.1999 13.1999 13.1999 15.2943 15.2943 16.9136 16.9136 k = 0.0091-0.0052 0.0074 ( 1687 PWs) bands (ev): 1.1318 1.1318 9.0077 9.0077 9.0597 9.0597 9.0633 9.0633 9.5930 9.5930 9.5952 9.5952 10.9490 10.9490 10.9498 10.9498 10.9924 10.9924 12.7752 12.7752 12.7754 12.7754 12.8524 12.8524 13.1707 13.1707 13.1714 13.1714 13.1999 13.1999 13.2012 13.2012 15.2939 15.2939 16.9140 16.9140 k = 0.0182-0.0105 0.0148 ( 1687 PWs) bands (ev): 1.1359 1.1359 9.0020 9.0020 9.0525 9.0525 9.0650 9.0650 9.5950 9.5950 9.6035 9.6035 10.9469 10.9469 10.9501 10.9501 10.9915 10.9915 12.7694 12.7694 12.7703 12.7703 12.8462 12.8462 13.1689 13.1689 13.1717 13.1717 13.1998 13.1998 13.2049 13.2049 15.2925 15.2925 16.9147 16.9147 k = 0.0273-0.0157 0.0223 ( 1687 PWs) bands (ev): 1.1428 1.1428 8.9877 8.9877 9.0462 9.0462 9.0679 9.0679 9.5984 9.5984 9.6163 9.6163 10.9431 10.9431 10.9507 10.9507 10.9904 10.9904 12.7600 12.7600 12.7618 12.7618 12.8362 12.8362 13.1660 13.1660 13.1723 13.1723 13.1998 13.1998 13.2107 13.2107 15.2901 15.2901 16.9148 16.9148 k = 0.0364-0.0210 0.0297 ( 1691 PWs) bands (ev): 1.1524 1.1524 8.9622 8.9622 9.0445 9.0445 9.0719 9.0719 9.6031 9.6031 9.6329 9.6329 10.9372 10.9372 10.9515 10.9515 10.9893 10.9893 12.7473 12.7473 12.7501 12.7501 12.8227 12.8227 13.1619 13.1619 13.1730 13.1730 13.1997 13.1997 13.2179 13.2179 15.2866 15.2866 16.9125 16.9125 k = 0.0455-0.0262 0.0371 ( 1695 PWs) bands (ev): 1.1648 1.1648 8.9275 8.9275 9.0465 9.0465 9.0769 9.0769 9.6092 9.6092 9.6520 9.6520 10.9290 10.9290 10.9526 10.9526 10.9886 10.9886 12.7317 12.7317 12.7353 12.7353 12.8061 12.8061 13.1567 13.1567 13.1741 13.1741 13.1996 13.1996 13.2264 13.2264 15.2818 15.2818 16.9061 16.9061 k = 0.0545-0.0315 0.0445 ( 1699 PWs) bands (ev): 1.1799 1.1799 8.8857 8.8857 9.0510 9.0510 9.0831 9.0831 9.6165 9.6165 9.6730 9.6730 10.9183 10.9183 10.9539 10.9539 10.9883 10.9883 12.7136 12.7136 12.7174 12.7174 12.7867 12.7867 13.1502 13.1502 13.1751 13.1751 13.1994 13.1994 13.2355 13.2355 15.2757 15.2757 16.8941 16.8941 k = 0.0636-0.0367 0.0520 ( 1707 PWs) bands (ev): 1.1976 1.1976 8.8386 8.8386 9.0574 9.0574 9.0905 9.0905 9.6252 9.6252 9.6948 9.6948 10.9048 10.9048 10.9555 10.9555 10.9885 10.9885 12.6934 12.6934 12.6965 12.6965 12.7646 12.7646 13.1427 13.1427 13.1762 13.1762 13.1993 13.1993 13.2448 13.2448 15.2680 15.2680 16.8754 16.8754 k = 0.0727-0.0420 0.0594 ( 1695 PWs) bands (ev): 1.2181 1.2181 8.7872 8.7872 9.0654 9.0654 9.0991 9.0991 9.6352 9.6352 9.7175 9.7175 10.8890 10.8890 10.9575 10.9575 10.9896 10.9896 12.6718 12.6718 12.6733 12.6733 12.7407 12.7407 13.1342 13.1342 13.1774 13.1774 13.1993 13.1993 13.2540 13.2540 15.2586 15.2586 16.8493 16.8493 k = 0.0818-0.0472 0.0668 ( 1695 PWs) bands (ev): 1.2412 1.2412 8.7322 8.7322 9.0746 9.0746 9.1088 9.1088 9.6465 9.6465 9.7404 9.7404 10.8703 10.8703 10.9595 10.9595 10.9908 10.9908 12.6474 12.6474 12.6489 12.6489 12.7146 12.7146 13.1244 13.1244 13.1784 13.1784 13.1993 13.1993 13.2627 13.2627 15.2472 15.2472 16.8156 16.8156 k = 0.0909-0.0525 0.0742 ( 1695 PWs) bands (ev): 1.2670 1.2670 8.6741 8.6741 9.0851 9.0851 9.1197 9.1197 9.6591 9.6591 9.7633 9.7633 10.8489 10.8489 10.9617 10.9617 10.9923 10.9923 12.6194 12.6194 12.6252 12.6252 12.6868 12.6868 13.1135 13.1135 13.1794 13.1794 13.1993 13.1993 13.2707 13.2707 15.2336 15.2336 16.7740 16.7740 k = 0.1000-0.0577 0.0816 ( 1695 PWs) bands (ev): 1.2954 1.2954 8.6136 8.6136 9.0968 9.0968 9.1316 9.1316 9.6730 9.6730 9.7860 9.7860 10.8250 10.8250 10.9640 10.9640 10.9942 10.9942 12.5893 12.5893 12.6008 12.6008 12.6578 12.6578 13.1014 13.1014 13.1803 13.1803 13.1994 13.1994 13.2779 13.2779 15.2175 15.2175 16.7246 16.7246 k = 0.1091-0.0630 0.0891 ( 1703 PWs) bands (ev): 1.3264 1.3264 8.5509 8.5509 9.1095 9.1095 9.1446 9.1446 9.6877 9.6877 9.8083 9.8083 10.7984 10.7984 10.9666 10.9666 10.9964 10.9964 12.5572 12.5572 12.5756 12.5756 12.6280 12.6280 13.0882 13.0882 13.1809 13.1809 13.1995 13.1995 13.2842 13.2842 15.1988 15.1988 16.6677 16.6677 k = 0.1182-0.0682 0.0965 ( 1703 PWs) bands (ev): 1.3599 1.3599 8.4865 8.4865 9.1234 9.1234 9.1586 9.1586 9.7041 9.7041 9.8301 9.8301 10.7694 10.7694 10.9693 10.9693 10.9988 10.9988 12.5238 12.5238 12.5494 12.5494 12.5986 12.5986 13.0739 13.0739 13.1814 13.1814 13.1996 13.1996 13.2895 13.2895 15.1772 15.1772 16.6039 16.6039 k = 0.1273-0.0735 0.1039 ( 1719 PWs) bands (ev): 1.3959 1.3959 8.4202 8.4202 9.1382 9.1382 9.1737 9.1737 9.7217 9.7217 9.8512 9.8512 10.7375 10.7375 10.9722 10.9722 11.0014 11.0014 12.4890 12.4890 12.5215 12.5215 12.5706 12.5706 13.0584 13.0584 13.1814 13.1814 13.1995 13.1995 13.2935 13.2935 15.1522 15.1522 16.5335 16.5335 k = 0.1364-0.0787 0.1113 ( 1720 PWs) bands (ev): 1.4343 1.4343 8.3532 8.3532 9.1542 9.1542 9.1898 9.1898 9.7405 9.7405 9.8717 9.8717 10.7035 10.7035 10.9753 10.9753 11.0042 11.0042 12.4531 12.4531 12.4912 12.4912 12.5450 12.5450 13.0419 13.0419 13.1813 13.1813 13.1996 13.1996 13.2967 13.2967 15.1240 15.1240 16.4573 16.4573 k = 0.1455-0.0840 0.1188 ( 1716 PWs) bands (ev): 1.4752 1.4752 8.2854 8.2854 9.1712 9.1712 9.2070 9.2070 9.7605 9.7605 9.8915 9.8915 10.6673 10.6673 10.9785 10.9785 11.0072 11.0072 12.4165 12.4165 12.4585 12.4585 12.5223 12.5223 13.0243 13.0243 13.1811 13.1811 13.1997 13.1997 13.2987 13.2987 15.0922 15.0922 16.3761 16.3761 k = 0.1545-0.0892 0.1262 ( 1708 PWs) bands (ev): 1.5185 1.5185 8.2170 8.2170 9.1892 9.1892 9.2252 9.2252 9.7817 9.7817 9.9103 9.9103 10.6289 10.6289 10.9818 10.9818 11.0103 11.0103 12.3791 12.3791 12.4238 12.4238 12.5026 12.5026 13.0057 13.0057 13.1808 13.1808 13.1997 13.1997 13.2999 13.2999 15.0566 15.0566 16.2904 16.2904 k = 0.1636-0.0945 0.1336 ( 1708 PWs) bands (ev): 1.5640 1.5640 8.1482 8.1482 9.2081 9.2081 9.2443 9.2443 9.8040 9.8040 9.9279 9.9279 10.5884 10.5884 10.9852 10.9852 11.0135 11.0135 12.3413 12.3413 12.3878 12.3878 12.4851 12.4851 12.9861 12.9861 13.1802 13.1802 13.1994 13.1994 13.2997 13.2997 15.0170 15.0170 16.2010 16.2010 k = 0.1727-0.0997 0.1410 ( 1700 PWs) bands (ev): 1.6118 1.6118 8.0792 8.0792 9.2280 9.2280 9.2643 9.2643 9.8276 9.8276 9.9444 9.9444 10.5460 10.5460 10.9887 10.9887 11.0168 11.0168 12.3036 12.3036 12.3512 12.3512 12.4699 12.4699 12.9654 12.9654 13.1795 13.1795 13.1989 13.1989 13.2984 13.2984 14.9732 14.9732 16.1086 16.1086 k = 0.1818-0.1050 0.1485 ( 1688 PWs) bands (ev): 1.6617 1.6617 8.0105 8.0105 9.2490 9.2490 9.2855 9.2855 9.8522 9.8522 9.9595 9.9595 10.5020 10.5020 10.9923 10.9923 11.0202 11.0202 12.2656 12.2656 12.3140 12.3140 12.4566 12.4566 12.9438 12.9438 13.1786 13.1786 13.1983 13.1983 13.2962 13.2962 14.9253 14.9253 16.0136 16.0136 k = 0.1909-0.1102 0.1559 ( 1688 PWs) bands (ev): 1.7138 1.7138 7.9419 7.9419 9.2706 9.2706 9.3074 9.3074 9.8777 9.8777 9.9731 9.9731 10.4563 10.4563 10.9957 10.9957 11.0234 11.0234 12.2277 12.2277 12.2767 12.2767 12.4453 12.4453 12.9212 12.9212 13.1775 13.1775 13.1972 13.1972 13.2928 13.2928 14.8733 14.8733 15.9166 15.9166 k = 0.2000-0.1155 0.1633 ( 1688 PWs) bands (ev): 1.7679 1.7679 7.8739 7.8739 9.2930 9.2930 9.3300 9.3300 9.9043 9.9043 9.9850 9.9850 10.4093 10.4093 10.9990 10.9990 11.0265 11.0265 12.1903 12.1903 12.2397 12.2397 12.4357 12.4357 12.8976 12.8976 13.1762 13.1762 13.1958 13.1958 13.2884 13.2884 14.8172 14.8172 15.8180 15.8180 k = 0.2091-0.1207 0.1707 ( 1696 PWs) bands (ev): 1.8238 1.8238 7.8066 7.8066 9.3162 9.3162 9.3535 9.3535 9.9319 9.9319 9.9949 9.9949 10.3612 10.3612 11.0019 11.0019 11.0292 11.0292 12.1533 12.1533 12.2030 12.2030 12.4277 12.4277 12.8730 12.8730 13.1747 13.1747 13.1941 13.1941 13.2831 13.2831 14.7573 14.7573 15.7183 15.7183 k = 0.2182-0.1260 0.1781 ( 1696 PWs) bands (ev): 1.8817 1.8817 7.7401 7.7401 9.3402 9.3402 9.3778 9.3778 9.9603 9.9603 10.0028 10.0028 10.3123 10.3123 11.0049 11.0049 11.0318 11.0318 12.1173 12.1173 12.1672 12.1672 12.4215 12.4215 12.8477 12.8477 13.1729 13.1729 13.1921 13.1921 13.2769 13.2769 14.6939 14.6939 15.6179 15.6179 k = 0.2273-0.1312 0.1856 ( 1708 PWs) bands (ev): 1.9412 1.9412 7.6746 7.6746 9.3647 9.3647 9.4027 9.4027 9.9897 9.9897 10.0080 10.0080 10.2625 10.2625 11.0074 11.0074 11.0341 11.0341 12.0823 12.0823 12.1323 12.1323 12.4168 12.4168 12.8214 12.8214 13.1707 13.1707 13.1897 13.1897 13.2696 13.2696 14.6274 14.6274 15.5170 15.5170 k = 0.2364-0.1365 0.1930 ( 1700 PWs) bands (ev): 2.0024 2.0024 7.6103 7.6103 9.3902 9.3902 9.4285 9.4285 10.0111 10.0111 10.0199 10.0199 10.2125 10.2125 11.0097 11.0097 11.0361 11.0361 12.0486 12.0486 12.0987 12.0987 12.4136 12.4136 12.7945 12.7945 13.1681 13.1681 13.1873 13.1873 13.2617 13.2617 14.5586 14.5586 15.4161 15.4161 k = 0.2455-0.1417 0.2004 ( 1700 PWs) bands (ev): 2.0651 2.0651 7.5474 7.5474 9.4162 9.4162 9.4548 9.4548 10.0113 10.0113 10.0506 10.0506 10.1625 10.1625 11.0114 11.0114 11.0374 11.0374 12.0163 12.0163 12.0665 12.0665 12.4119 12.4119 12.7667 12.7667 13.1646 13.1646 13.1848 13.1848 13.2531 13.2531 14.4880 14.4880 15.3154 15.3154 k = 0.2545-0.1470 0.2078 ( 1700 PWs) bands (ev): 2.1291 2.1291 7.4860 7.4860 9.4427 9.4427 9.4818 9.4818 10.0085 10.0085 10.0801 10.0801 10.1145 10.1145 11.0126 11.0126 11.0382 11.0382 11.9856 11.9856 12.0360 12.0360 12.4114 12.4114 12.7382 12.7382 13.1602 13.1602 13.1823 13.1823 13.2437 13.2437 14.4163 14.4163 15.2150 15.2150 k = 0.2636-0.1522 0.2153 ( 1700 PWs) bands (ev): 2.1943 2.1943 7.4261 7.4261 9.4697 9.4697 9.5092 9.5092 10.0025 10.0025 10.0590 10.0590 10.1180 10.1180 11.0129 11.0129 11.0381 11.0381 11.9569 11.9569 12.0072 12.0072 12.4121 12.4121 12.7091 12.7091 13.1546 13.1546 13.1801 13.1801 13.2336 13.2336 14.3445 14.3445 15.1153 15.1153 k = 0.2727-0.1575 0.2227 ( 1700 PWs) bands (ev): 2.2606 2.2606 7.3680 7.3680 9.4971 9.4971 9.5372 9.5372 9.9930 9.9930 10.0102 10.0102 10.1502 10.1502 11.0125 11.0125 11.0371 11.0371 11.9302 11.9302 11.9806 11.9806 12.4139 12.4139 12.6794 12.6794 13.1478 13.1478 13.1781 13.1781 13.2228 13.2228 14.2733 14.2733 15.0164 15.0164 k = 0.2818-0.1627 0.2301 ( 1700 PWs) bands (ev): 2.3278 2.3278 7.3117 7.3117 9.5249 9.5249 9.5655 9.5655 9.9611 9.9611 9.9800 9.9800 10.1838 10.1838 11.0110 11.0110 11.0351 11.0351 11.9058 11.9058 11.9562 11.9562 12.4166 12.4166 12.6493 12.6493 13.1397 13.1397 13.1763 13.1763 13.2115 13.2115 14.2037 14.2037 14.9186 14.9186 k = 0.2909-0.1680 0.2375 ( 1696 PWs) bands (ev): 2.3957 2.3957 7.2573 7.2573 9.5531 9.5531 9.5943 9.5943 9.9127 9.9127 9.9632 9.9632 10.2182 10.2182 11.0085 11.0085 11.0321 11.0321 11.8840 11.8840 11.9344 11.9344 12.4201 12.4201 12.6191 12.6191 13.1304 13.1304 13.1747 13.1747 13.1996 13.1996 14.1363 14.1363 14.8219 14.8219 k = 0.3000-0.1732 0.2449 ( 1696 PWs) bands (ev): 2.4642 2.4642 7.2049 7.2049 9.5814 9.5814 9.6233 9.6233 9.8651 9.8651 9.9425 9.9425 10.2530 10.2530 11.0048 11.0048 11.0277 11.0277 11.8647 11.8647 11.9152 11.9152 12.4239 12.4239 12.5888 12.5888 13.1196 13.1196 13.1732 13.1732 13.1873 13.1873 14.0719 14.0719 14.7267 14.7267 k = 0.3091-0.1785 0.2524 ( 1700 PWs) bands (ev): 2.5329 2.5329 7.1547 7.1547 9.6099 9.6099 9.6524 9.6524 9.8187 9.8187 9.9179 9.9179 10.2882 10.2882 10.9997 10.9997 11.0219 11.0219 11.8482 11.8482 11.8986 11.8986 12.4276 12.4276 12.5592 12.5592 13.1074 13.1074 13.1719 13.1719 13.1744 13.1744 14.0112 14.0112 14.6330 14.6330 k = 0.3182-0.1837 0.2598 ( 1692 PWs) bands (ev): 2.6017 2.6017 7.1067 7.1067 9.6387 9.6387 9.6816 9.6816 9.7737 9.7737 9.8896 9.8896 10.3238 10.3238 10.9935 10.9935 11.0149 11.0149 11.8346 11.8346 11.8851 11.8851 12.4298 12.4298 12.5314 12.5314 13.0943 13.0943 13.1613 13.1613 13.1707 13.1707 13.9548 13.9548 14.5411 14.5411 k = 0.3273-0.1890 0.2672 ( 1680 PWs) bands (ev): 2.6703 2.6703 7.0610 7.0610 9.6672 9.6672 9.7084 9.7084 9.7326 9.7326 9.8575 9.8575 10.3599 10.3599 10.9857 10.9857 11.0064 11.0064 11.8240 11.8240 11.8745 11.8745 12.4280 12.4280 12.5084 12.5084 13.0802 13.0802 13.1480 13.1480 13.1695 13.1695 13.9030 13.9030 14.4511 14.4512 k = 0.3364-0.1942 0.2746 ( 1680 PWs) bands (ev): 2.7385 2.7385 7.0176 7.0176 9.6853 9.6853 9.6956 9.6956 9.7427 9.7427 9.8219 9.8219 10.3957 10.3957 10.9766 10.9766 10.9964 10.9964 11.8163 11.8163 11.8668 11.8668 12.4170 12.4170 12.4948 12.4948 13.0651 13.0651 13.1341 13.1341 13.1684 13.1684 13.8559 13.8559 14.3632 14.3632 k = 0.3455-0.1994 0.2821 ( 1680 PWs) bands (ev): 2.8060 2.8060 6.9766 6.9766 9.6451 9.6451 9.7235 9.7235 9.7714 9.7714 9.7834 9.7834 10.4316 10.4316 10.9661 10.9661 10.9850 10.9850 11.8115 11.8115 11.8620 11.8620 12.3958 12.3958 12.4920 12.4920 13.0493 13.0493 13.1200 13.1200 13.1673 13.1673 13.8137 13.8137 14.2776 14.2776 k = 0.3545-0.2047 0.2895 ( 1680 PWs) bands (ev): 2.8724 2.8724 6.9381 6.9381 9.6062 9.6062 9.7369 9.7369 9.7561 9.7561 9.8003 9.8003 10.4673 10.4673 10.9545 10.9545 10.9723 10.9723 11.8095 11.8095 11.8601 11.8601 12.3685 12.3685 12.4958 12.4958 13.0332 13.0332 13.1058 13.1058 13.1663 13.1663 13.7762 13.7762 14.1944 14.1944 k = 0.3636-0.2099 0.2969 ( 1684 PWs) bands (ev): 2.9375 2.9375 6.9020 6.9020 9.5690 9.5690 9.6953 9.6953 9.7808 9.7808 9.8290 9.8290 10.5028 10.5028 10.9416 10.9416 10.9584 10.9584 11.8102 11.8102 11.8608 11.8608 12.3386 12.3386 12.5028 12.5028 13.0170 13.0170 13.0913 13.0913 13.1653 13.1653 13.7433 13.7433 14.1139 14.1139 k = 0.3727-0.2152 0.3043 ( 1684 PWs) bands (ev): 3.0009 3.0009 6.8685 6.8685 9.5338 9.5338 9.6492 9.6492 9.8076 9.8076 9.8574 9.8574 10.5378 10.5378 10.9280 10.9280 10.9436 10.9436 11.8134 11.8134 11.8640 11.8640 12.3077 12.3077 12.5116 12.5116 13.0010 13.0010 13.0769 13.0769 13.1644 13.1644 13.7146 13.7146 14.0363 14.0363 k = 0.3818-0.2204 0.3118 ( 1700 PWs) bands (ev): 3.0623 3.0623 6.8375 6.8375 9.5005 9.5005 9.6016 9.6016 9.8339 9.8339 9.8851 9.8851 10.5720 10.5720 10.9137 10.9137 10.9280 10.9280 11.8186 11.8186 11.8692 11.8692 12.2766 12.2766 12.5210 12.5210 12.9855 12.9855 13.0621 13.0621 13.1635 13.1635 13.6895 13.6895 13.9619 13.9619 k = 0.3909-0.2257 0.3192 ( 1700 PWs) bands (ev): 3.1213 3.1213 6.8091 6.8091 9.4695 9.4695 9.5532 9.5532 9.8596 9.8596 9.9122 9.9122 10.6056 10.6056 10.8989 10.8989 10.9119 10.9119 11.8259 11.8259 11.8767 11.8767 12.2458 12.2458 12.5313 12.5313 12.9708 12.9708 13.0478 13.0478 13.1627 13.1627 13.6682 13.6682 13.8909 13.8909 k = 0.4000-0.2309 0.3266 ( 1700 PWs) bands (ev): 3.1776 3.1776 6.7833 6.7833 9.4406 9.4406 9.5049 9.5049 9.8843 9.8843 9.9384 9.9384 10.6381 10.6381 10.8839 10.8839 10.8954 10.8954 11.8350 11.8350 11.8858 11.8858 12.2156 12.2156 12.5419 12.5419 12.9571 12.9571 13.0337 13.0337 13.1619 13.1619 13.6499 13.6499 13.8237 13.8237 k = 0.4091-0.2362 0.3340 ( 1700 PWs) bands (ev): 3.2306 3.2306 6.7600 6.7600 9.4140 9.4140 9.4574 9.4574 9.9078 9.9078 9.9636 9.9636 10.6694 10.6694 10.8688 10.8688 10.8790 10.8790 11.8453 11.8453 11.8963 11.8963 12.1863 12.1863 12.5526 12.5526 12.9445 12.9445 13.0199 13.0199 13.1611 13.1611 13.6342 13.6342 13.7605 13.7605 k = 0.4182-0.2414 0.3414 ( 1708 PWs) bands (ev): 3.2802 3.2802 6.7392 6.7392 9.3897 9.3897 9.4114 9.4114 9.9301 9.9301 9.9875 9.9875 10.6992 10.6992 10.8541 10.8541 10.8627 10.8627 11.8565 11.8565 11.9077 11.9077 12.1584 12.1584 12.5633 12.5633 12.9329 12.9329 13.0063 13.0063 13.1603 13.1603 13.6205 13.6205 13.7019 13.7019 k = 0.4273-0.2467 0.3489 ( 1700 PWs) bands (ev): 3.3258 3.3258 6.7208 6.7208 9.3677 9.3677 9.3678 9.3678 9.9510 9.9510 10.0100 10.0100 10.7271 10.7271 10.8398 10.8398 10.8470 10.8470 11.8684 11.8684 11.9198 11.9198 12.1320 12.1320 12.5738 12.5738 12.9230 12.9230 12.9934 12.9934 13.1596 13.1596 13.6078 13.6078 13.6490 13.6490 k = 0.4364-0.2519 0.3563 ( 1700 PWs) bands (ev): 3.3671 3.3671 6.7049 6.7049 9.3270 9.3270 9.3484 9.3484 9.9701 9.9701 10.0308 10.0308 10.7528 10.7528 10.8264 10.8264 10.8322 10.8322 11.8803 11.8803 11.9319 11.9319 12.1074 12.1074 12.5838 12.5838 12.9141 12.9141 12.9813 12.9813 13.1589 13.1589 13.5866 13.5866 13.5987 13.5987 k = 0.4455-0.2572 0.3637 ( 1700 PWs) bands (ev): 3.4037 3.4037 6.6913 6.6913 9.2901 9.2901 9.3316 9.3316 9.9873 9.9873 10.0496 10.0496 10.7756 10.7756 10.8140 10.8140 10.8188 10.8188 11.8919 11.8919 11.9438 11.9438 12.0852 12.0852 12.5933 12.5933 12.9064 12.9064 12.9701 12.9701 13.1582 13.1582 13.5490 13.5490 13.5539 13.5539 k = 0.4545-0.2624 0.3711 ( 1704 PWs) bands (ev): 3.4353 3.4353 6.6799 6.6799 9.2576 9.2576 9.3172 9.3172 10.0023 10.0023 10.0662 10.0662 10.7932 10.7932 10.8029 10.8029 10.8093 10.8093 11.9026 11.9026 11.9548 11.9548 12.0654 12.0654 12.6017 12.6017 12.9000 12.9000 12.9601 12.9601 13.1576 13.1576 13.5123 13.5123 13.5150 13.5150 k = 0.4636-0.2677 0.3786 ( 1704 PWs) bands (ev): 3.4616 3.4616 6.6708 6.6708 9.2301 9.2301 9.3054 9.3054 10.0150 10.0150 10.0803 10.0803 10.7920 10.7920 10.7935 10.7935 10.8171 10.8171 11.9121 11.9121 11.9648 11.9648 12.0486 12.0486 12.6092 12.6092 12.8949 12.8949 12.9513 12.9513 13.1570 13.1570 13.4811 13.4811 13.4825 13.4825 k = 0.4727-0.2729 0.3860 ( 1704 PWs) bands (ev): 3.4823 3.4823 6.6638 6.6638 9.2081 9.2081 9.2962 9.2962 10.0252 10.0252 10.0916 10.0916 10.7842 10.7842 10.7858 10.7858 10.8300 10.8300 11.9201 11.9201 11.9732 11.9732 12.0350 12.0350 12.6154 12.6154 12.8909 12.8909 12.9442 12.9442 13.1565 13.1565 13.4564 13.4564 13.4566 13.4566 k = 0.4818-0.2782 0.3934 ( 1696 PWs) bands (ev): 3.4973 3.4973 6.6588 6.6588 9.1921 9.1921 9.2896 9.2896 10.0326 10.0326 10.0999 10.0999 10.7782 10.7782 10.7803 10.7803 10.8399 10.8399 11.9260 11.9260 11.9797 11.9797 12.0250 12.0250 12.6201 12.6201 12.8881 12.8881 12.9390 12.9390 13.1564 13.1564 13.4379 13.4379 13.4384 13.4384 k = 0.4909-0.2834 0.4008 ( 1692 PWs) bands (ev): 3.5063 3.5063 6.6558 6.6558 9.1825 9.1825 9.2858 9.2858 10.0371 10.0371 10.1049 10.1049 10.7747 10.7747 10.7773 10.7773 10.8460 10.8460 11.9296 11.9296 11.9838 11.9838 12.0186 12.0186 12.6230 12.6230 12.8863 12.8863 12.9357 12.9357 13.1562 13.1562 13.4266 13.4266 13.4276 13.4276 k = 0.5000-0.2887 0.4082 ( 1692 PWs) bands (ev): 3.5094 3.5094 6.6549 6.6549 9.1792 9.1792 9.2844 9.2844 10.0386 10.0386 10.1066 10.1066 10.7734 10.7734 10.7761 10.7761 10.8481 10.8481 11.9309 11.9309 11.9853 11.9853 12.0164 12.0164 12.6239 12.6239 12.8858 12.8858 12.9346 12.9346 13.1561 13.1561 13.4228 13.4228 13.4239 13.4239 k = 0.5000-0.2887 0.4082 ( 1692 PWs) bands (ev): 3.5094 3.5094 6.6549 6.6549 9.1792 9.1792 9.2844 9.2844 10.0386 10.0386 10.1066 10.1066 10.7734 10.7734 10.7761 10.7761 10.8481 10.8481 11.9309 11.9309 11.9853 11.9853 12.0164 12.0164 12.6239 12.6239 12.8858 12.8858 12.9346 12.9346 13.1561 13.1561 13.4228 13.4228 13.4239 13.4239 k = 0.5000-0.2784 0.4155 ( 1692 PWs) bands (ev): 3.5096 3.5096 6.6561 6.6561 9.1777 9.1777 9.2777 9.2777 10.0407 10.0407 10.1087 10.1087 10.7707 10.7707 10.7756 10.7756 10.8526 10.8526 11.9293 11.9293 11.9824 11.9824 12.0209 12.0209 12.6223 12.6223 12.8861 12.8861 12.9346 12.9346 13.1575 13.1575 13.4224 13.4224 13.4247 13.4247 k = 0.5000-0.2681 0.4228 ( 1692 PWs) bands (ev): 3.5104 3.5104 6.6600 6.6600 9.1731 9.1731 9.2582 9.2582 10.0452 10.0452 10.1165 10.1165 10.7617 10.7617 10.7761 10.7761 10.8644 10.8644 11.9248 11.9248 11.9755 11.9755 12.0325 12.0325 12.6180 12.6180 12.8870 12.8870 12.9346 12.9346 13.1617 13.1617 13.4204 13.4204 13.4282 13.4282 k = 0.5000-0.2577 0.4301 ( 1692 PWs) bands (ev): 3.5117 3.5117 6.6665 6.6665 9.1654 9.1654 9.2274 9.2274 10.0475 10.0475 10.1331 10.1331 10.7502 10.7502 10.7777 10.7777 10.8801 10.8801 11.9174 11.9174 11.9664 11.9664 12.0493 12.0493 12.6103 12.6103 12.8885 12.8885 12.9345 12.9345 13.1687 13.1687 13.4169 13.4169 13.4341 13.4341 k = 0.5000-0.2474 0.4374 ( 1690 PWs) bands (ev): 3.5135 3.5135 6.6755 6.6755 9.1546 9.1546 9.1872 9.1872 10.0455 10.0455 10.1591 10.1591 10.7382 10.7382 10.7802 10.7802 10.8983 10.8983 11.9071 11.9071 11.9563 11.9563 12.0702 12.0702 12.5996 12.5996 12.8906 12.8906 12.9342 12.9342 13.1782 13.1782 13.4119 13.4119 13.4422 13.4422 k = 0.5000-0.2371 0.4447 ( 1690 PWs) bands (ev): 3.5158 3.5158 6.6870 6.6870 9.1371 9.1371 9.1434 9.1434 10.0398 10.0398 10.1923 10.1923 10.7264 10.7264 10.7835 10.7835 10.9180 10.9180 11.8935 11.8935 11.9458 11.9458 12.0949 12.0949 12.5864 12.5864 12.8931 12.8931 12.9337 12.9337 13.1900 13.1900 13.4057 13.4057 13.4521 13.4521 k = 0.5000-0.2268 0.4520 ( 1690 PWs) bands (ev): 3.5186 3.5186 6.7011 6.7011 9.0851 9.0851 9.1254 9.1254 10.0317 10.0317 10.2300 10.2300 10.7151 10.7151 10.7874 10.7874 10.9388 10.9388 11.8763 11.8763 11.9356 11.9356 12.1228 12.1228 12.5709 12.5709 12.8959 12.8959 12.9328 12.9328 13.2036 13.2036 13.3981 13.3981 13.4637 13.4637 k = 0.5000-0.2165 0.4593 ( 1690 PWs) bands (ev): 3.5217 3.5217 6.7177 6.7177 9.0269 9.0269 9.1065 9.1065 10.0222 10.0222 10.2703 10.2703 10.7046 10.7046 10.7919 10.7919 10.9605 10.9605 11.8560 11.8560 11.9260 11.9260 12.1536 12.1536 12.5536 12.5536 12.8990 12.8990 12.9317 12.9317 13.2187 13.2187 13.3895 13.3895 13.4765 13.4765 k = 0.5000-0.2062 0.4666 ( 1690 PWs) bands (ev): 3.5253 3.5253 6.7368 6.7368 8.9650 8.9650 9.0852 9.0852 10.0120 10.0120 10.3118 10.3118 10.6951 10.6951 10.7971 10.7971 10.9828 10.9828 11.8332 11.8332 11.9167 11.9167 12.1867 12.1867 12.5346 12.5346 12.9023 12.9023 12.9304 12.9304 13.2346 13.2346 13.3798 13.3798 13.4905 13.4905 k = 0.5000-0.1959 0.4739 ( 1690 PWs) bands (ev): 3.5292 3.5292 6.7584 6.7584 8.9005 8.9005 9.0619 9.0619 10.0015 10.0015 10.3535 10.3535 10.6865 10.6865 10.8028 10.8028 11.0056 11.0056 11.8085 11.8085 11.9077 11.9077 12.2215 12.2215 12.5145 12.5145 12.9058 12.9058 12.9289 12.9289 13.2509 13.2509 13.3695 13.3695 13.5051 13.5051 k = 0.5000-0.1856 0.4811 ( 1690 PWs) bands (ev): 3.5334 3.5334 6.7825 6.7825 8.8338 8.8338 9.0367 9.0367 9.9912 9.9912 10.3946 10.3946 10.6788 10.6788 10.8090 10.8090 11.0289 11.0289 11.7825 11.7825 11.8986 11.8986 12.2576 12.2576 12.4934 12.4934 12.9092 12.9092 12.9274 12.9274 13.2666 13.2666 13.3593 13.3593 13.5203 13.5203 k = 0.5000-0.1753 0.4884 ( 1686 PWs) bands (ev): 3.5379 3.5379 6.8090 6.8090 8.7656 8.7656 9.0101 9.0101 9.9815 9.9815 10.4345 10.4345 10.6723 10.6723 10.8156 10.8156 11.0525 11.0525 11.7559 11.7559 11.8897 11.8897 12.2943 12.2943 12.4719 12.4719 12.9125 12.9125 12.9258 12.9258 13.2796 13.2796 13.3506 13.3506 13.5357 13.5358 k = 0.5000-0.1650 0.4957 ( 1686 PWs) bands (ev): 3.5426 3.5426 6.8379 6.8379 8.6960 8.6960 8.9824 8.9824 9.9723 9.9723 10.4726 10.4726 10.6669 10.6669 10.8226 10.8226 11.0762 11.0762 11.7292 11.7292 11.8809 11.8809 12.3309 12.3309 12.4503 12.4503 12.9154 12.9154 12.9245 12.9245 13.2865 13.2865 13.3472 13.3472 13.5512 13.5512 k = 0.5000-0.1546 0.5030 ( 1686 PWs) bands (ev): 3.5474 3.5474 6.8692 6.8692 8.6256 8.6256 8.9539 8.9539 9.9639 9.9639 10.5085 10.5085 10.6627 10.6627 10.8299 10.8299 11.1001 11.1001 11.7027 11.7027 11.8721 11.8721 12.3660 12.3660 12.4300 12.4300 12.9177 12.9177 12.9237 12.9237 13.2836 13.2836 13.3522 13.3522 13.5665 13.5665 k = 0.5000-0.1443 0.5103 ( 1694 PWs) bands (ev): 3.5523 3.5523 6.9028 6.9028 8.5545 8.5545 8.9250 8.9250 9.9562 9.9562 10.5418 10.5418 10.6594 10.6594 10.8373 10.8373 11.1239 11.1239 11.6767 11.6767 11.8634 11.8634 12.3893 12.3893 12.4211 12.4211 12.9188 12.9188 12.9241 12.9241 13.2728 13.2728 13.3635 13.3635 13.5720 13.5720 k = 0.5000-0.1340 0.5176 ( 1686 PWs) bands (ev): 3.5572 3.5572 6.9387 6.9387 8.4832 8.4832 8.8963 8.8963 9.9494 9.9494 10.5725 10.5725 10.6573 10.6573 10.8451 10.8451 11.1477 11.1477 11.6517 11.6517 11.8551 11.8551 12.3778 12.3778 12.4465 12.4465 12.9190 12.9190 12.9256 12.9256 13.2582 13.2582 13.3776 13.3776 13.5708 13.5708 k = 0.5000-0.1237 0.5249 ( 1686 PWs) bands (ev): 3.5621 3.5621 6.9769 6.9769 8.4116 8.4116 8.8680 8.8680 9.9434 9.9434 10.5999 10.5999 10.6562 10.6562 10.8528 10.8528 11.1713 11.1713 11.6278 11.6278 11.8469 11.8469 12.3582 12.3582 12.4795 12.4795 12.9191 12.9191 12.9272 12.9272 13.2413 13.2413 13.3926 13.3926 13.5694 13.5694 k = 0.5000-0.1134 0.5322 ( 1686 PWs) bands (ev): 3.5669 3.5669 7.0173 7.0173 8.3400 8.3400 8.8405 8.8405 9.9381 9.9381 10.6241 10.6241 10.6562 10.6562 10.8605 10.8605 11.1945 11.1945 11.6053 11.6053 11.8391 11.8391 12.3383 12.3383 12.5121 12.5121 12.9194 12.9194 12.9288 12.9288 13.2232 13.2232 13.4074 13.4074 13.5677 13.5677 k = 0.5000-0.1031 0.5395 ( 1688 PWs) bands (ev): 3.5715 3.5715 7.0599 7.0599 8.2686 8.2686 8.8142 8.8142 9.9335 9.9335 10.6450 10.6450 10.6571 10.6571 10.8680 10.8680 11.2172 11.2172 11.5841 11.5841 11.8316 11.8316 12.3191 12.3191 12.5435 12.5435 12.9198 12.9198 12.9306 12.9306 13.2043 13.2043 13.4218 13.4218 13.5658 13.5658 k = 0.5000-0.0928 0.5468 ( 1686 PWs) bands (ev): 3.5759 3.5759 7.1046 7.1046 8.1975 8.1975 8.7894 8.7894 9.9297 9.9297 10.6587 10.6587 10.6629 10.6629 10.8752 10.8752 11.2394 11.2394 11.5643 11.5643 11.8247 11.8247 12.3010 12.3010 12.5731 12.5731 12.9199 12.9199 12.9331 12.9331 13.1848 13.1848 13.4357 13.4357 13.5636 13.5636 k = 0.5000-0.0825 0.5541 ( 1682 PWs) bands (ev): 3.5800 3.5800 7.1514 7.1514 8.1269 8.1269 8.7664 8.7664 9.9264 9.9264 10.6615 10.6615 10.6770 10.6770 10.8820 10.8820 11.2609 11.2609 11.5461 11.5461 11.8183 11.8183 12.2842 12.2842 12.6008 12.6008 12.9195 12.9195 12.9367 12.9367 13.1652 13.1652 13.4487 13.4487 13.5611 13.5611 k = 0.5000-0.0722 0.5613 ( 1678 PWs) bands (ev): 3.5838 3.5838 7.2002 7.2002 8.0570 8.0570 8.7455 8.7455 9.9237 9.9237 10.6649 10.6649 10.6881 10.6881 10.8884 10.8884 11.2817 11.2817 11.5292 11.5292 11.8126 11.8126 12.2689 12.2689 12.6264 12.6264 12.9182 12.9182 12.9417 12.9417 13.1454 13.1454 13.4609 13.4609 13.5583 13.5583 k = 0.5000-0.0619 0.5686 ( 1688 PWs) bands (ev): 3.5871 3.5871 7.2510 7.2510 7.9878 7.9878 8.7268 8.7268 9.9213 9.9213 10.6689 10.6689 10.6959 10.6959 10.8941 10.8941 11.3016 11.3016 11.5134 11.5134 11.8074 11.8074 12.2551 12.2551 12.6495 12.6495 12.9161 12.9161 12.9480 12.9480 13.1255 13.1255 13.4722 13.4722 13.5551 13.5551 k = 0.5000-0.0515 0.5759 ( 1688 PWs) bands (ev): 3.5901 3.5901 7.3036 7.3036 7.9194 7.9194 8.7107 8.7107 9.9195 9.9195 10.6734 10.6734 10.7012 10.7012 10.8991 10.8991 11.3204 11.3204 11.4988 11.4988 11.8030 11.8030 12.2433 12.2433 12.6699 12.6699 12.9135 12.9135 12.9561 12.9561 13.1060 13.1060 13.4827 13.4827 13.5516 13.5516 k = 0.5000-0.0412 0.5832 ( 1682 PWs) bands (ev): 3.5925 3.5925 7.3580 7.3580 7.8521 7.8521 8.6973 8.6973 9.9182 9.9182 10.6786 10.6786 10.7041 10.7041 10.9033 10.9033 11.3378 11.3378 11.4852 11.4852 11.7994 11.7994 12.2335 12.2335 12.6875 12.6875 12.9107 12.9107 12.9657 12.9657 13.0869 13.0869 13.4923 13.4923 13.5477 13.5477 k = 0.5000-0.0309 0.5905 ( 1682 PWs) bands (ev): 3.5945 3.5945 7.4141 7.4141 7.7859 7.7859 8.6868 8.6868 9.9171 9.9171 10.6837 10.6837 10.7048 10.7048 10.9067 10.9067 11.3536 11.3536 11.4727 11.4727 11.7965 11.7965 12.2257 12.2257 12.7017 12.7017 12.9078 12.9078 12.9767 12.9767 13.0683 13.0683 13.5011 13.5011 13.5434 13.5434 k = 0.5000-0.0206 0.5978 ( 1690 PWs) bands (ev): 3.5959 3.5959 7.4717 7.4717 7.7210 7.7210 8.6791 8.6791 9.9164 9.9164 10.6887 10.6887 10.7038 10.7038 10.9091 10.9091 11.3670 11.3670 11.4618 11.4618 11.7944 11.7944 12.2200 12.2200 12.7122 12.7122 12.9053 12.9053 12.9889 12.9889 13.0504 13.0504 13.5089 13.5089 13.5386 13.5386 k = 0.5000-0.0103 0.6051 ( 1704 PWs) bands (ev): 3.5968 3.5968 7.5302 7.5302 7.6581 7.6581 8.6745 8.6745 9.9158 9.9158 10.6935 10.6935 10.7013 10.7013 10.9104 10.9104 11.3764 11.3764 11.4537 11.4537 11.7931 11.7931 12.2164 12.2164 12.7186 12.7186 12.9036 12.9036 13.0024 13.0024 13.0333 13.0333 13.5151 13.5151 13.5342 13.5342 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): 3.5970 3.5970 7.5772 7.5772 7.6097 7.6097 8.6729 8.6729 9.9156 9.9156 10.6976 10.6976 10.6978 10.6978 10.9109 10.9109 11.3801 11.3801 11.4506 11.4506 11.7926 11.7926 12.2153 12.2153 12.7208 12.7208 12.9029 12.9029 13.0162 13.0162 13.0183 13.0183 13.5180 13.5180 13.5317 13.5317 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): 3.5970 3.5970 7.5772 7.5772 7.6097 7.6097 8.6729 8.6729 9.9156 9.9156 10.6976 10.6976 10.6978 10.6978 10.9109 10.9109 11.3801 11.3801 11.4506 11.4506 11.7926 11.7926 12.2153 12.2153 12.7208 12.7208 12.9029 12.9029 13.0162 13.0162 13.0183 13.0183 13.5180 13.5180 13.5317 13.5317 k = 0.4938 0.0108 0.6124 ( 1700 PWs) bands (ev): 3.5964 3.5964 7.5481 7.5481 7.6379 7.6379 8.6761 8.6761 9.9151 9.9151 10.6944 10.6944 10.7009 10.7009 10.9112 10.9112 11.3787 11.3787 11.4526 11.4526 11.7920 11.7920 12.2151 12.2151 12.7197 12.7197 12.9028 12.9028 13.0083 13.0083 13.0294 13.0294 13.5175 13.5175 13.5329 13.5329 k = 0.4875 0.0217 0.6124 ( 1688 PWs) bands (ev): 3.5947 3.5947 7.5091 7.5091 7.6735 7.6735 8.6860 8.6860 9.9132 9.9132 10.6897 10.6897 10.7049 10.7049 10.9120 10.9120 11.3746 11.3746 11.4578 11.4578 11.7900 11.7900 12.2145 12.2145 12.7167 12.7167 12.9018 12.9018 13.0035 13.0035 13.0438 13.0438 13.5180 13.5180 13.5347 13.5347 k = 0.4813 0.0325 0.6124 ( 1686 PWs) bands (ev): 3.5921 3.5921 7.4711 7.4711 7.7050 7.7050 8.7028 8.7028 9.9098 9.9098 10.6837 10.6837 10.7098 10.7098 10.9135 10.9135 11.3686 11.3686 11.4654 11.4654 11.7868 11.7868 12.2131 12.2131 12.7120 12.7120 12.8990 12.8990 13.0028 13.0028 13.0602 13.0602 13.5203 13.5203 13.5361 13.5361 k = 0.4750 0.0433 0.6124 ( 1684 PWs) bands (ev): 3.5887 3.5887 7.4348 7.4348 7.7314 7.7314 8.7266 8.7266 9.9046 9.9046 10.6766 10.6766 10.7155 10.7155 10.9158 10.9158 11.3615 11.3615 11.4746 11.4746 11.7825 11.7825 12.2110 12.2110 12.7060 12.7060 12.8944 12.8944 13.0058 13.0058 13.0785 13.0785 13.5247 13.5247 13.5373 13.5373 k = 0.4688 0.0541 0.6124 ( 1685 PWs) bands (ev): 3.5847 3.5847 7.4005 7.4005 7.7525 7.7525 8.7572 8.7572 9.8974 9.8974 10.6686 10.6686 10.7221 10.7221 10.9191 10.9191 11.3538 11.3538 11.4847 11.4847 11.7775 11.7775 12.2081 12.2081 12.6992 12.6992 12.8880 12.8880 13.0118 13.0118 13.0985 13.0985 13.5298 13.5298 13.5400 13.5400 k = 0.4625 0.0650 0.6124 ( 1686 PWs) bands (ev): 3.5803 3.5803 7.3682 7.3682 7.7686 7.7686 8.7939 8.7939 9.8881 9.8881 10.6597 10.6597 10.7294 10.7294 10.9232 10.9232 11.3458 11.3458 11.4953 11.4953 11.7719 11.7719 12.2047 12.2047 12.6919 12.6919 12.8799 12.8799 13.0202 13.0202 13.1201 13.1201 13.5316 13.5316 13.5479 13.5479 k = 0.4562 0.0758 0.6124 ( 1686 PWs) bands (ev): 3.5756 3.5756 7.3380 7.3380 7.7802 7.7802 8.8360 8.8360 9.8766 9.8766 10.6505 10.6505 10.7375 10.7375 10.9280 10.9280 11.3377 11.3377 11.5061 11.5061 11.7661 11.7661 12.2006 12.2006 12.6844 12.6844 12.8706 12.8706 13.0301 13.0301 13.1430 13.1430 13.5309 13.5309 13.5607 13.5607 k = 0.4500 0.0866 0.6124 ( 1690 PWs) bands (ev): 3.5708 3.5708 7.3099 7.3099 7.7879 7.7879 8.8824 8.8824 9.8628 9.8628 10.6410 10.6410 10.7459 10.7459 10.9335 10.9335 11.3296 11.3296 11.5170 11.5170 11.7600 11.7600 12.1961 12.1961 12.6770 12.6770 12.8602 12.8602 13.0411 13.0411 13.1669 13.1669 13.5291 13.5291 13.5763 13.5763 k = 0.4437 0.0974 0.6124 ( 1683 PWs) bands (ev): 3.5659 3.5659 7.2840 7.2840 7.7924 7.7924 8.9323 8.9323 9.8466 9.8466 10.6315 10.6315 10.7548 10.7548 10.9396 10.9396 11.3218 11.3218 11.5279 11.5279 11.7542 11.7542 12.1913 12.1913 12.6699 12.6699 12.8493 12.8493 13.0528 13.0528 13.1917 13.1917 13.5268 13.5268 13.5943 13.5943 k = 0.4375 0.1083 0.6124 ( 1683 PWs) bands (ev): 3.5610 3.5610 7.2602 7.2602 7.7945 7.7945 8.9847 8.9847 9.8280 9.8280 10.6223 10.6223 10.7637 10.7637 10.9458 10.9458 11.3141 11.3141 11.5385 11.5385 11.7485 11.7485 12.1863 12.1863 12.6632 12.6632 12.8376 12.8376 13.0647 13.0647 13.2169 13.2169 13.5238 13.5238 13.6141 13.6141 k = 0.4313 0.1191 0.6124 ( 1686 PWs) bands (ev): 3.5564 3.5564 7.2386 7.2386 7.7947 7.7947 9.0387 9.0387 9.8068 9.8068 10.6133 10.6133 10.7724 10.7724 10.9522 10.9522 11.3066 11.3066 11.5486 11.5486 11.7432 11.7432 12.1812 12.1812 12.6570 12.6570 12.8256 12.8256 13.0764 13.0764 13.2423 13.2423 13.5201 13.5201 13.6350 13.6351 k = 0.4250 0.1299 0.6124 ( 1686 PWs) bands (ev): 3.5520 3.5520 7.2192 7.2192 7.7936 7.7936 9.0936 9.0936 9.7832 9.7832 10.6050 10.6050 10.7808 10.7808 10.9585 10.9585 11.2997 11.2997 11.5583 11.5583 11.7383 11.7383 12.1763 12.1763 12.6516 12.6516 12.8135 12.8135 13.0878 13.0878 13.2676 13.2676 13.5157 13.5157 13.6566 13.6566 k = 0.4188 0.1407 0.6124 ( 1682 PWs) bands (ev): 3.5479 3.5479 7.2021 7.2021 7.7917 7.7917 9.1487 9.1487 9.7571 9.7571 10.5975 10.5975 10.7888 10.7888 10.9647 10.9647 11.2932 11.2932 11.5673 11.5673 11.7339 11.7339 12.1716 12.1716 12.6470 12.6470 12.8018 12.8018 13.0985 13.0985 13.2926 13.2926 13.5105 13.5105 13.6773 13.6773 k = 0.4125 0.1516 0.6124 ( 1686 PWs) bands (ev): 3.5443 3.5443 7.1872 7.1872 7.7894 7.7894 9.2035 9.2035 9.7283 9.7283 10.5907 10.5907 10.7960 10.7960 10.9705 10.9705 11.2873 11.2873 11.5757 11.5757 11.7299 11.7299 12.1672 12.1672 12.6432 12.6432 12.7906 12.7906 13.1082 13.1082 13.3170 13.3170 13.5044 13.5044 13.6862 13.6862 k = 0.4062 0.1624 0.6124 ( 1682 PWs) bands (ev): 3.5411 3.5411 7.1746 7.1746 7.7870 7.7870 9.2574 9.2574 9.6972 9.6972 10.5849 10.5849 10.8023 10.8023 10.9757 10.9757 11.2822 11.2822 11.5833 11.5833 11.7264 11.7264 12.1634 12.1634 12.6402 12.6402 12.7802 12.7802 13.1168 13.1168 13.3405 13.3405 13.4972 13.4972 13.6841 13.6842 k = 0.4000 0.1732 0.6124 ( 1684 PWs) bands (ev): 3.5384 3.5384 7.1643 7.1643 7.7847 7.7847 9.3102 9.3102 9.6635 9.6635 10.5799 10.5799 10.8075 10.8075 10.9803 10.9803 11.2777 11.2777 11.5898 11.5898 11.7235 11.7235 12.1600 12.1600 12.6380 12.6380 12.7711 12.7711 13.1240 13.1240 13.3630 13.3630 13.4887 13.4887 13.6810 13.6810 k = 0.3937 0.1840 0.6124 ( 1681 PWs) bands (ev): 3.5363 3.5363 7.1562 7.1562 7.7827 7.7827 9.3615 9.3615 9.6274 9.6274 10.5761 10.5761 10.8118 10.8118 10.9840 10.9840 11.2741 11.2741 11.5952 11.5952 11.7211 11.7211 12.1575 12.1575 12.6365 12.6365 12.7635 12.7635 13.1298 13.1298 13.3842 13.3842 13.4788 13.4788 13.6782 13.6782 k = 0.3875 0.1949 0.6124 ( 1682 PWs) bands (ev): 3.5347 3.5347 7.1505 7.1505 7.7812 7.7812 9.4110 9.4110 9.5888 9.5888 10.5732 10.5732 10.8147 10.8147 10.9868 10.9868 11.2714 11.2714 11.5992 11.5992 11.7193 11.7193 12.1555 12.1555 12.6356 12.6356 12.7578 12.7578 13.1340 13.1340 13.4040 13.4040 13.4674 13.4674 13.6760 13.6760 k = 0.3812 0.2057 0.6124 ( 1682 PWs) bands (ev): 3.5338 3.5338 7.1470 7.1470 7.7802 7.7802 9.4584 9.4584 9.5481 9.5481 10.5715 10.5715 10.8165 10.8165 10.9885 10.9885 11.2697 11.2697 11.6018 11.6018 11.7182 11.7182 12.1543 12.1543 12.6352 12.6352 12.7543 12.7543 13.1366 13.1366 13.4221 13.4221 13.4544 13.4544 13.6746 13.6746 k = 0.3750 0.2165 0.6124 ( 1682 PWs) bands (ev): 3.5335 3.5335 7.1459 7.1459 7.7799 7.7799 9.4982 9.4982 9.5105 9.5105 10.5709 10.5709 10.8171 10.8171 10.9890 10.9890 11.2692 11.2692 11.6026 11.6026 11.7178 11.7178 12.1539 12.1539 12.6350 12.6350 12.7531 12.7531 13.1374 13.1374 13.4358 13.4358 13.4425 13.4425 13.6741 13.6741 k = 0.3750 0.2165 0.6124 ( 1682 PWs) bands (ev): 3.5335 3.5335 7.1459 7.1459 7.7799 7.7799 9.4982 9.4982 9.5105 9.5105 10.5709 10.5709 10.8171 10.8171 10.9890 10.9890 11.2692 11.2692 11.6026 11.6026 11.7178 11.7178 12.1539 12.1539 12.6350 12.6350 12.7531 12.7531 13.1374 13.1374 13.4358 13.4358 13.4425 13.4425 13.6741 13.6741 k = 0.3685 0.2128 0.6018 ( 1682 PWs) bands (ev): 3.5264 3.5264 7.1962 7.1962 7.6983 7.6983 9.4714 9.4714 9.5255 9.5255 10.5658 10.5658 10.8474 10.8474 11.0033 11.0033 11.2967 11.2967 11.5733 11.5733 11.7099 11.7099 12.1205 12.1205 12.6679 12.6679 12.7411 12.7411 13.1633 13.1633 13.4306 13.4306 13.4411 13.4411 13.6932 13.6932 k = 0.3621 0.2090 0.5913 ( 1684 PWs) bands (ev): 3.5169 3.5169 7.2487 7.2487 7.6207 7.6207 9.4331 9.4331 9.5531 9.5531 10.5615 10.5615 10.8760 10.8760 11.0158 11.0158 11.3244 11.3244 11.5432 11.5432 11.7026 11.7026 12.0887 12.0887 12.6988 12.6988 12.7303 12.7303 13.1910 13.1910 13.4221 13.4221 13.4423 13.4423 13.7138 13.7138 k = 0.3556 0.2053 0.5807 ( 1684 PWs) bands (ev): 3.5047 3.5047 7.3031 7.3031 7.5477 7.5477 9.3954 9.3954 9.5812 9.5812 10.5578 10.5578 10.9029 10.9029 11.0264 11.0264 11.3520 11.3520 11.5126 11.5126 11.6956 11.6956 12.0591 12.0591 12.7168 12.7168 12.7320 12.7320 13.2206 13.2206 13.4127 13.4127 13.4438 13.4438 13.7360 13.7360 k = 0.3491 0.2016 0.5701 ( 1692 PWs) bands (ev): 3.4898 3.4898 7.3589 7.3589 7.4802 7.4802 9.3584 9.3584 9.6096 9.6096 10.5548 10.5548 10.9282 10.9282 11.0343 11.0343 11.3790 11.3790 11.4821 11.4821 11.6886 11.6886 12.0321 12.0321 12.7100 12.7100 12.7583 12.7583 13.2516 13.2516 13.4032 13.4032 13.4453 13.4453 13.7596 13.7596 k = 0.3427 0.1978 0.5596 ( 1696 PWs) bands (ev): 3.4717 3.4717 7.4019 7.4019 7.4327 7.4327 9.3222 9.3222 9.6382 9.6382 10.5526 10.5526 10.9520 10.9520 11.0392 11.0392 11.4022 11.4022 11.4549 11.4549 11.6814 11.6814 12.0083 12.0083 12.7035 12.7035 12.7843 12.7843 13.2830 13.2830 13.3951 13.3951 13.4468 13.4468 13.7849 13.7849 k = 0.3362 0.1941 0.5490 ( 1700 PWs) bands (ev): 3.4504 3.4504 7.3555 7.3555 7.4821 7.4821 9.2870 9.2870 9.6668 9.6668 10.5511 10.5511 10.9746 10.9746 11.0406 11.0406 11.4011 11.4011 11.4512 11.4512 11.6737 11.6737 11.9884 11.9884 12.6985 12.6985 12.8091 12.8091 13.3112 13.3112 13.3924 13.3924 13.4484 13.4484 13.8118 13.8118 k = 0.3297 0.1904 0.5385 ( 1700 PWs) bands (ev): 3.4256 3.4256 7.3047 7.3047 7.5437 7.5437 9.2527 9.2527 9.6953 9.6953 10.5504 10.5504 10.9962 10.9962 11.0381 11.0381 11.3735 11.3735 11.4737 11.4737 11.6657 11.6657 11.9725 11.9725 12.6954 12.6954 12.8326 12.8326 13.3266 13.3266 13.4042 13.4042 13.4505 13.4505 13.8404 13.8404 k = 0.3233 0.1866 0.5279 ( 1692 PWs) bands (ev): 3.3972 3.3972 7.2596 7.2596 7.6075 7.6075 9.2195 9.2195 9.7237 9.7237 10.5505 10.5505 11.0168 11.0168 11.0314 11.0314 11.3407 11.3407 11.5004 11.5004 11.6574 11.6574 11.9612 11.9612 12.6943 12.6943 12.8547 12.8547 13.3257 13.3257 13.4320 13.4320 13.4554 13.4554 13.8708 13.8708 k = 0.3168 0.1829 0.5173 ( 1692 PWs) bands (ev): 3.3653 3.3653 7.2207 7.2207 7.6731 7.6731 9.1873 9.1873 9.7515 9.7515 10.5512 10.5512 11.0202 11.0202 11.0367 11.0367 11.3065 11.3065 11.5268 11.5268 11.6494 11.6494 11.9542 11.9542 12.6950 12.6950 12.8756 12.8756 13.3168 13.3168 13.4472 13.4472 13.4834 13.4834 13.9029 13.9029 k = 0.3103 0.1792 0.5068 ( 1692 PWs) bands (ev): 3.3296 3.3296 7.1882 7.1882 7.7402 7.7402 9.1563 9.1563 9.7787 9.7787 10.5527 10.5527 11.0048 11.0048 11.0557 11.0557 11.2714 11.2714 11.5509 11.5509 11.6433 11.6433 11.9518 11.9518 12.6977 12.6977 12.8952 12.8952 13.3050 13.3050 13.4500 13.4500 13.5296 13.5296 13.9370 13.9370 k = 0.3039 0.1754 0.4962 ( 1692 PWs) bands (ev): 3.2903 3.2903 7.1623 7.1623 7.8087 7.8087 9.1264 9.1264 9.8052 9.8052 10.5549 10.5549 10.9853 10.9853 11.0740 11.0740 11.2359 11.2359 11.5683 11.5683 11.6435 11.6435 11.9534 11.9534 12.7021 12.7021 12.9137 12.9137 13.2920 13.2920 13.4512 13.4512 13.5814 13.5814 13.9730 13.9730 k = 0.2974 0.1717 0.4857 ( 1696 PWs) bands (ev): 3.2474 3.2474 7.1430 7.1430 7.8785 7.8785 9.0977 9.0977 9.8308 9.8308 10.5577 10.5577 10.9621 10.9621 11.0908 11.0908 11.2003 11.2003 11.5739 11.5739 11.6553 11.6553 11.9589 11.9589 12.7082 12.7082 12.9309 12.9309 13.2784 13.2784 13.4520 13.4520 13.6372 13.6372 14.0110 14.0110 k = 0.2909 0.1680 0.4751 ( 1696 PWs) bands (ev): 3.2011 3.2011 7.1302 7.1302 7.9493 7.9493 9.0703 9.0703 9.8552 9.8552 10.5613 10.5613 10.9357 10.9357 11.1054 11.1054 11.1659 11.1659 11.5696 11.5696 11.6771 11.6771 11.9677 11.9677 12.7158 12.7158 12.9473 12.9473 13.2646 13.2646 13.4525 13.4525 13.6964 13.6964 14.0513 14.0513 k = 0.2845 0.1642 0.4646 ( 1704 PWs) bands (ev): 3.1515 3.1515 7.1238 7.1238 8.0209 8.0209 9.0441 9.0441 9.8784 9.8784 10.5654 10.5654 10.9064 10.9064 11.1075 11.1075 11.1427 11.1427 11.5610 11.5610 11.7037 11.7037 11.9793 11.9793 12.7246 12.7246 12.9626 12.9626 13.2509 13.2509 13.4528 13.4528 13.7588 13.7588 14.0938 14.0938 k = 0.2780 0.1605 0.4540 ( 1700 PWs) bands (ev): 3.0989 3.0989 7.1237 7.1237 8.0933 8.0933 9.0193 9.0193 9.9003 9.9003 10.5703 10.5703 10.8757 10.8757 11.0800 11.0800 11.1473 11.1473 11.5517 11.5517 11.7326 11.7326 11.9930 11.9930 12.7347 12.7347 12.9770 12.9770 13.2376 13.2376 13.4528 13.4528 13.8243 13.8243 14.1386 14.1386 k = 0.2716 0.1568 0.4434 ( 1698 PWs) bands (ev): 3.0435 3.0435 7.1296 7.1296 8.1662 8.1662 8.9959 8.9959 9.9207 9.9207 10.5758 10.5758 10.8431 10.8431 11.0438 11.0438 11.1584 11.1584 11.5433 11.5433 11.7626 11.7626 12.0085 12.0085 12.7456 12.7456 12.9905 12.9905 13.2247 13.2247 13.4526 13.4526 13.8925 13.8925 14.1859 14.1859 k = 0.2651 0.1530 0.4329 ( 1690 PWs) bands (ev): 2.9855 2.9855 7.1413 7.1413 8.2393 8.2393 8.9737 8.9737 9.9393 9.9393 10.5820 10.5820 10.8097 10.8097 11.0060 11.0060 11.1686 11.1686 11.5374 11.5374 11.7932 11.7932 12.0252 12.0252 12.7574 12.7574 13.0035 13.0035 13.2125 13.2125 13.4522 13.4522 13.9632 13.9632 14.2359 14.2359 k = 0.2586 0.1493 0.4223 ( 1690 PWs) bands (ev): 2.9253 2.9253 7.1585 7.1585 8.3124 8.3124 8.9530 8.9530 9.9561 9.9561 10.5888 10.5888 10.7759 10.7759 10.9673 10.9673 11.1761 11.1761 11.5351 11.5351 11.8241 11.8241 12.0426 12.0426 12.7698 12.7698 13.0154 13.0154 13.2010 13.2010 13.4515 13.4515 14.0363 14.0363 14.2884 14.2884 k = 0.2522 0.1456 0.4118 ( 1694 PWs) bands (ev): 2.8632 2.8632 7.1810 7.1810 8.3852 8.3852 8.9336 8.9336 9.9709 9.9709 10.5961 10.5961 10.7422 10.7422 10.9281 10.9281 11.1801 11.1801 11.5373 11.5373 11.8552 11.8552 12.0602 12.0602 12.7827 12.7827 13.0264 13.0264 13.1903 13.1903 13.4505 13.4505 14.1112 14.1112 14.3437 14.3437 k = 0.2457 0.1418 0.4012 ( 1692 PWs) bands (ev): 2.7995 2.7995 7.2084 7.2084 8.4574 8.4574 8.9157 8.9157 9.9837 9.9837 10.6041 10.6041 10.7091 10.7091 10.8886 10.8886 11.1803 11.1803 11.5447 11.5447 11.8866 11.8866 12.0778 12.0778 12.7961 12.7961 13.0367 13.0367 13.1808 13.1808 13.4493 13.4493 14.1879 14.1879 14.4018 14.4018 k = 0.2392 0.1381 0.3907 ( 1692 PWs) bands (ev): 2.7344 2.7344 7.2404 7.2404 8.5285 8.5285 8.8992 8.8992 9.9943 9.9943 10.6123 10.6123 10.6773 10.6773 10.8487 10.8487 11.1768 11.1768 11.5575 11.5575 11.9179 11.9179 12.0950 12.0950 12.8098 12.8098 13.0462 13.0462 13.1724 13.1724 13.4478 13.4478 14.2658 14.2658 14.4628 14.4628 k = 0.2328 0.1344 0.3801 ( 1692 PWs) bands (ev): 2.6683 2.6683 7.2766 7.2766 8.5982 8.5982 8.8841 8.8841 10.0028 10.0028 10.6202 10.6202 10.6481 10.6481 10.8085 10.8085 11.1701 11.1701 11.5755 11.5755 11.9492 11.9492 12.1116 12.1116 12.8238 12.8238 13.0550 13.0550 13.1653 13.1653 13.4459 13.4459 14.3445 14.3445 14.5267 14.5267 k = 0.2263 0.1307 0.3695 ( 1684 PWs) bands (ev): 2.6015 2.6015 7.3169 7.3169 8.6660 8.6660 8.8706 8.8706 10.0090 10.0090 10.6147 10.6147 10.6349 10.6349 10.7681 10.7681 11.1610 11.1610 11.5983 11.5983 11.9806 11.9806 12.1275 12.1275 12.8379 12.8379 13.0631 13.0631 13.1596 13.1596 13.4438 13.4438 14.4237 14.4237 14.5938 14.5938 k = 0.2198 0.1269 0.3590 ( 1680 PWs) bands (ev): 2.5343 2.5343 7.3609 7.3609 8.7310 8.7310 8.8592 8.8592 10.0130 10.0130 10.5909 10.5909 10.6429 10.6429 10.7276 10.7276 11.1498 11.1498 11.6251 11.6251 12.0118 12.0118 12.1425 12.1425 12.8522 12.8522 13.0705 13.0705 13.1552 13.1552 13.4414 13.4414 14.5027 14.5027 14.6637 14.6637 k = 0.2134 0.1232 0.3484 ( 1688 PWs) bands (ev): 2.4668 2.4668 7.4081 7.4081 8.7912 8.7912 8.8508 8.8508 10.0146 10.0146 10.5685 10.5685 10.6527 10.6527 10.6869 10.6869 11.1375 11.1375 11.6553 11.6553 12.0428 12.0428 12.1566 12.1566 12.8665 12.8665 13.0772 13.0772 13.1522 13.1522 13.4384 13.4384 14.5810 14.5810 14.7365 14.7365 k = 0.2069 0.1195 0.3379 ( 1688 PWs) bands (ev): 2.3994 2.3994 7.4585 7.4585 8.8269 8.8269 8.8652 8.8652 10.0140 10.0140 10.5494 10.5494 10.6446 10.6446 10.6648 10.6648 11.1245 11.1245 11.6886 11.6886 12.0737 12.0737 12.1699 12.1699 12.8809 12.8809 13.0834 13.0834 13.1505 13.1505 13.4352 13.4352 14.6580 14.6580 14.8124 14.8124 k = 0.2004 0.1157 0.3273 ( 1684 PWs) bands (ev): 2.3324 2.3324 7.5116 7.5116 8.8249 8.8249 8.9147 8.9147 10.0112 10.0112 10.5342 10.5342 10.6041 10.6041 10.6754 10.6754 11.1114 11.1114 11.7245 11.7245 12.1044 12.1044 12.1825 12.1825 12.8952 12.8952 13.0892 13.0892 13.1500 13.1500 13.4319 13.4319 14.7331 14.7331 14.8912 14.8912 k = 0.1940 0.1120 0.3167 ( 1696 PWs) bands (ev): 2.2658 2.2658 7.5670 7.5670 8.8192 8.8192 8.9647 8.9647 10.0063 10.0063 10.5231 10.5231 10.5630 10.5630 10.6867 10.6867 11.0985 11.0985 11.7625 11.7625 12.1344 12.1344 12.1948 12.1948 12.9094 12.9094 13.0945 13.0945 13.1505 13.1505 13.4278 13.4278 14.8053 14.8053 14.9727 14.9727 k = 0.1875 0.1083 0.3062 ( 1694 PWs) bands (ev): 2.1999 2.1999 7.6247 7.6247 8.8143 8.8143 9.0105 9.0105 9.9994 9.9994 10.5141 10.5141 10.5246 10.5246 10.6986 10.6986 11.0861 11.0861 11.8024 11.8024 12.1637 12.1637 12.2073 12.2073 12.9236 12.9236 13.0997 13.0997 13.1519 13.1519 13.4236 13.4236 14.8742 14.8742 15.0572 15.0572 k = 0.1810 0.1045 0.2956 ( 1694 PWs) bands (ev): 2.1350 2.1350 7.6843 7.6843 8.8105 8.8105 9.0512 9.0512 9.9906 9.9906 10.4790 10.4790 10.5173 10.5173 10.7107 10.7107 11.0744 11.0744 11.8439 11.8439 12.1908 12.1908 12.2214 12.2214 12.9377 12.9377 13.1047 13.1047 13.1540 13.1540 13.4190 13.4190 14.9388 14.9388 15.1445 15.1445 k = 0.1746 0.1008 0.2851 ( 1694 PWs) bands (ev): 2.0712 2.0712 7.7455 7.7455 8.8080 8.8080 9.0864 9.0864 9.9800 9.9800 10.4379 10.4379 10.5210 10.5210 10.7231 10.7231 11.0634 11.0634 11.8867 11.8867 12.2129 12.2129 12.2404 12.2404 12.9516 12.9516 13.1097 13.1097 13.1567 13.1567 13.4139 13.4139 14.9984 14.9984 15.2343 15.2343 k = 0.1681 0.0971 0.2745 ( 1696 PWs) bands (ev): 2.0086 2.0086 7.8082 7.8082 8.8068 8.8068 9.1157 9.1157 9.9679 9.9679 10.3966 10.3966 10.5301 10.5301 10.7355 10.7355 11.0532 11.0532 11.9306 11.9306 12.2291 12.2291 12.2652 12.2652 12.9653 12.9653 13.1146 13.1146 13.1597 13.1597 13.4085 13.4085 15.0525 15.0525 15.3266 15.3266 k = 0.1616 0.0933 0.2640 ( 1690 PWs) bands (ev): 1.9474 1.9474 7.8719 7.8719 8.8069 8.8069 9.1393 9.1393 9.9545 9.9545 10.3553 10.3553 10.5439 10.5439 10.7482 10.7482 11.0439 11.0439 11.9755 11.9755 12.2428 12.2428 12.2930 12.2930 12.9788 12.9788 13.1196 13.1196 13.1630 13.1630 13.4028 13.4028 15.1006 15.1006 15.4211 15.4211 k = 0.1552 0.0896 0.2534 ( 1700 PWs) bands (ev): 1.8877 1.8877 7.9362 7.9362 8.8081 8.8081 9.1574 9.1574 9.9395 9.9395 10.3140 10.3140 10.5619 10.5619 10.7608 10.7608 11.0355 11.0355 12.0210 12.0210 12.2564 12.2564 12.3214 12.3214 12.9920 12.9920 13.1244 13.1244 13.1664 13.1664 13.3965 13.3965 15.1421 15.1421 15.5177 15.5177 k = 0.1487 0.0859 0.2428 ( 1696 PWs) bands (ev): 1.8297 1.8297 8.0013 8.0013 8.8107 8.8107 9.1703 9.1703 9.9236 9.9236 10.2729 10.2729 10.5839 10.5839 10.7737 10.7737 11.0280 11.0280 12.0669 12.0669 12.2709 12.2709 12.3501 12.3501 13.0050 13.0050 13.1292 13.1292 13.1701 13.1701 13.3899 13.3899 15.1772 15.1772 15.6160 15.6160 k = 0.1422 0.0821 0.2323 ( 1697 PWs) bands (ev): 1.7734 1.7734 8.0666 8.0666 8.8146 8.8146 9.1784 9.1784 9.9067 9.9067 10.2320 10.2320 10.6087 10.6087 10.7865 10.7865 11.0211 11.0211 12.1129 12.1129 12.2867 12.2867 12.3786 12.3786 13.0176 13.0176 13.1338 13.1338 13.1739 13.1739 13.3828 13.3828 15.2060 15.2060 15.7157 15.7157 k = 0.1358 0.0784 0.2217 ( 1691 PWs) bands (ev): 1.7191 1.7191 8.1320 8.1320 8.8198 8.8198 9.1824 9.1824 9.8892 9.8892 10.1914 10.1914 10.6358 10.6358 10.7993 10.7993 11.0150 11.0150 12.1589 12.1589 12.3047 12.3047 12.4069 12.4069 13.0299 13.0299 13.1382 13.1382 13.1778 13.1778 13.3752 13.3752 15.2289 15.2289 15.8163 15.8163 k = 0.1293 0.0747 0.2112 ( 1699 PWs) bands (ev): 1.6667 1.6667 8.1972 8.1972 8.8260 8.8260 9.1828 9.1828 9.8710 9.8710 10.1510 10.1510 10.6641 10.6641 10.8119 10.8119 11.0095 11.0095 12.2043 12.2043 12.3244 12.3244 12.4348 12.4348 13.0418 13.0418 13.1422 13.1422 13.1816 13.1816 13.3671 13.3671 15.2462 15.2462 15.9174 15.9174 k = 0.1228 0.0709 0.2006 ( 1699 PWs) bands (ev): 1.6164 1.6164 8.2619 8.2619 8.8335 8.8335 9.1803 9.1803 9.8525 9.8525 10.1110 10.1110 10.6931 10.6931 10.8244 10.8244 11.0047 11.0047 12.2489 12.2489 12.3469 12.3469 12.4624 12.4624 13.0533 13.0533 13.1460 13.1460 13.1855 13.1855 13.3588 13.3588 15.2589 15.2589 16.0185 16.0185 k = 0.1164 0.0672 0.1900 ( 1699 PWs) bands (ev): 1.5683 1.5683 8.3258 8.3258 8.8421 8.8421 9.1753 9.1753 9.8337 9.8337 10.0714 10.0714 10.7219 10.7219 10.8367 10.8367 11.0004 11.0004 12.2922 12.2922 12.3723 12.3723 12.4897 12.4897 13.0643 13.0643 13.1493 13.1493 13.1893 13.1893 13.3501 13.3501 15.2675 15.2675 16.1188 16.1188 k = 0.1099 0.0635 0.1795 ( 1707 PWs) bands (ev): 1.5224 1.5224 8.3887 8.3887 8.8517 8.8517 9.1683 9.1683 9.8148 9.8148 10.0323 10.0323 10.7498 10.7498 10.8487 10.8487 10.9964 10.9964 12.3335 12.3335 12.4009 12.4009 12.5165 12.5165 13.0749 13.0749 13.1523 13.1523 13.1928 13.1928 13.3408 13.3408 15.2729 15.2729 16.2177 16.2177 k = 0.1034 0.0597 0.1689 ( 1707 PWs) bands (ev): 1.4788 1.4788 8.4504 8.4504 8.8623 8.8623 9.1601 9.1601 9.7959 9.7959 9.9939 9.9939 10.7766 10.7766 10.8604 10.8604 10.9930 10.9930 12.3726 12.3726 12.4327 12.4327 12.5429 12.5429 13.0850 13.0850 13.1550 13.1550 13.1963 13.1963 13.3314 13.3314 15.2758 15.2758 16.3143 16.3143 k = 0.0970 0.0560 0.1584 ( 1713 PWs) bands (ev): 1.4375 1.4375 8.5106 8.5106 8.8738 8.8738 9.1506 9.1506 9.7771 9.7771 9.9560 9.9560 10.8017 10.8017 10.8717 10.8717 10.9900 10.9900 12.4097 12.4097 12.4671 12.4671 12.5689 12.5689 13.0946 13.0946 13.1575 13.1575 13.1993 13.1993 13.3216 13.3216 15.2769 15.2769 16.4074 16.4074 k = 0.0905 0.0523 0.1478 ( 1711 PWs) bands (ev): 1.3987 1.3987 8.5689 8.5689 8.8863 8.8863 9.1408 9.1408 9.7587 9.7587 9.9190 9.9190 10.8248 10.8248 10.8827 10.8827 10.9874 10.9874 12.4454 12.4454 12.5028 12.5028 12.5944 12.5944 13.1036 13.1036 13.1596 13.1596 13.2021 13.2021 13.3117 13.3117 15.2770 15.2770 16.4962 16.4962 k = 0.0841 0.0485 0.1373 ( 1713 PWs) bands (ev): 1.3623 1.3623 8.6252 8.6252 8.8994 8.8994 9.1306 9.1306 9.7405 9.7405 9.8829 9.8829 10.8457 10.8457 10.8932 10.8932 10.9852 10.9852 12.4802 12.4802 12.5385 12.5385 12.6197 12.6197 13.1122 13.1122 13.1615 13.1615 13.2045 13.2045 13.3014 13.3014 15.2764 15.2764 16.5793 16.5793 k = 0.0776 0.0448 0.1267 ( 1713 PWs) bands (ev): 1.3285 1.3285 8.6791 8.6791 8.9132 8.9132 9.1203 9.1203 9.7228 9.7228 9.8477 9.8477 10.8644 10.8644 10.9031 10.9031 10.9834 10.9834 12.5147 12.5147 12.5732 12.5732 12.6446 12.6446 13.1203 13.1203 13.1631 13.1631 13.2063 13.2063 13.2910 13.2910 15.2757 15.2757 16.6555 16.6555 k = 0.0711 0.0411 0.1161 ( 1705 PWs) bands (ev): 1.2972 1.2972 8.7304 8.7304 8.9276 8.9276 9.1103 9.1103 9.7059 9.7059 9.8139 9.8139 10.8807 10.8807 10.9125 10.9125 10.9820 10.9820 12.5489 12.5489 12.6061 12.6061 12.6694 12.6694 13.1279 13.1279 13.1646 13.1646 13.2077 13.2077 13.2805 13.2805 15.2753 15.2753 16.7234 16.7234 k = 0.0647 0.0373 0.1056 ( 1705 PWs) bands (ev): 1.2685 1.2685 8.7786 8.7786 8.9423 8.9423 9.1007 9.1007 9.6894 9.6894 9.7813 9.7813 10.8947 10.8947 10.9210 10.9210 10.9812 10.9812 12.5823 12.5823 12.6363 12.6363 12.6939 12.6939 13.1349 13.1349 13.1658 13.1658 13.2085 13.2085 13.2699 13.2699 15.2754 15.2754 16.7816 16.7816 k = 0.0582 0.0336 0.0950 ( 1703 PWs) bands (ev): 1.2425 1.2425 8.8236 8.8236 8.9573 8.9573 9.0918 9.0918 9.6736 9.6736 9.7503 9.7503 10.9066 10.9066 10.9286 10.9286 10.9809 10.9809 12.6144 12.6144 12.6635 12.6635 12.7182 12.7182 13.1413 13.1413 13.1670 13.1670 13.2089 13.2089 13.2596 13.2596 15.2762 15.2762 16.8290 16.8290 k = 0.0517 0.0299 0.0845 ( 1703 PWs) bands (ev): 1.2191 1.2191 8.8648 8.8648 8.9723 8.9723 9.0837 9.0837 9.6588 9.6588 9.7210 9.7210 10.9166 10.9166 10.9351 10.9351 10.9813 10.9813 12.6451 12.6451 12.6874 12.6874 12.7420 12.7420 13.1472 13.1472 13.1679 13.1679 13.2086 13.2086 13.2494 13.2494 15.2776 15.2776 16.8649 16.8649 k = 0.0453 0.0261 0.0739 ( 1699 PWs) bands (ev): 1.1984 1.1984 8.9018 8.9018 8.9873 8.9873 9.0766 9.0766 9.6449 9.6449 9.6940 9.6940 10.9250 10.9250 10.9401 10.9401 10.9824 10.9824 12.6738 12.6738 12.7084 12.7084 12.7650 12.7650 13.1525 13.1525 13.1687 13.1687 13.2079 13.2079 13.2395 13.2395 15.2797 15.2797 16.8895 16.8895 k = 0.0388 0.0224 0.0633 ( 1699 PWs) bands (ev): 1.1804 1.1804 8.9339 8.9339 9.0020 9.0020 9.0707 9.0707 9.6322 9.6322 9.6691 9.6691 10.9318 10.9318 10.9438 10.9438 10.9840 10.9840 12.6998 12.6998 12.7264 12.7264 12.7863 12.7863 13.1573 13.1573 13.1693 13.1693 13.2067 13.2067 13.2304 13.2304 15.2822 15.2822 16.9045 16.9045 k = 0.0323 0.0187 0.0528 ( 1693 PWs) bands (ev): 1.1652 1.1652 8.9606 8.9606 9.0164 9.0164 9.0662 9.0662 9.6209 9.6209 9.6472 9.6472 10.9375 10.9375 10.9463 10.9463 10.9860 10.9860 12.7226 12.7226 12.7418 12.7418 12.8057 12.8057 13.1614 13.1614 13.1699 13.1699 13.2053 13.2053 13.2219 13.2219 15.2851 15.2851 16.9123 16.9123 k = 0.0259 0.0149 0.0422 ( 1693 PWs) bands (ev): 1.1527 1.1527 8.9810 8.9810 9.0304 9.0304 9.0633 9.0633 9.6111 9.6111 9.6283 9.6283 10.9419 10.9419 10.9478 10.9478 10.9881 10.9881 12.7418 12.7418 12.7544 12.7544 12.8223 12.8223 13.1649 13.1649 13.1704 13.1704 13.2037 13.2037 13.2145 13.2145 15.2879 15.2879 16.9155 16.9155 k = 0.0194 0.0112 0.0317 ( 1687 PWs) bands (ev): 1.1430 1.1430 8.9950 8.9950 9.0432 9.0432 9.0622 9.0622 9.6031 9.6031 9.6130 9.6130 10.9453 10.9453 10.9488 10.9488 10.9900 10.9900 12.7570 12.7570 12.7642 12.7642 12.8359 12.8359 13.1676 13.1676 13.1708 13.1708 13.2023 13.2023 13.2084 13.2084 15.2905 15.2905 16.9158 16.9158 k = 0.0129 0.0075 0.0211 ( 1687 PWs) bands (ev): 1.1360 1.1360 9.0035 9.0035 9.0536 9.0536 9.0621 9.0621 9.5972 9.5972 9.6016 9.6016 10.9478 10.9478 10.9493 10.9493 10.9914 10.9914 12.7681 12.7681 12.7714 12.7714 12.8461 12.8461 13.1696 13.1696 13.1710 13.1710 13.2010 13.2010 13.2038 13.2038 15.2925 15.2925 16.9150 16.9150 k = 0.0065 0.0037 0.0106 ( 1687 PWs) bands (ev): 1.1318 1.1318 9.0078 9.0078 9.0604 9.0604 9.0625 9.0625 9.5936 9.5936 9.5947 9.5947 10.9492 10.9492 10.9496 10.9496 10.9924 10.9924 12.7749 12.7749 12.7757 12.7757 12.8523 12.8523 13.1708 13.1708 13.1712 13.1712 13.2002 13.2002 13.2009 13.2009 15.2939 15.2939 16.9140 16.9140 k = 0.0000 0.0000 0.0000 ( 1687 PWs) bands (ev): 1.1304 1.1304 9.0091 9.0091 9.0627 9.0627 9.0627 9.0627 9.5923 9.5923 9.5923 9.5923 10.9497 10.9497 10.9497 10.9497 10.9927 10.9927 12.7771 12.7771 12.7771 12.7771 12.8545 12.8545 13.1713 13.1713 13.1713 13.1713 13.1999 13.1999 13.1999 13.1999 15.2943 15.2943 16.9136 16.9136 k = 0.0000 0.0000 0.0000 ( 1687 PWs) bands (ev): 1.1304 1.1304 9.0091 9.0091 9.0627 9.0627 9.0627 9.0627 9.5923 9.5923 9.5923 9.5923 10.9497 10.9497 10.9497 10.9497 10.9927 10.9927 12.7771 12.7771 12.7771 12.7771 12.8545 12.8545 13.1713 13.1713 13.1713 13.1713 13.1999 13.1999 13.1999 13.1999 15.2943 15.2943 16.9136 16.9136 k = 0.0104 0.0060 0.0043 ( 1687 PWs) bands (ev): 1.1318 1.1318 9.0078 9.0078 9.0610 9.0610 9.0619 9.0619 9.5941 9.5941 9.5941 9.5941 10.9494 10.9494 10.9494 10.9494 10.9924 10.9924 12.7749 12.7749 12.7758 12.7758 12.8524 12.8524 13.1710 13.1710 13.1710 13.1710 13.2004 13.2004 13.2006 13.2006 15.2939 15.2939 16.9140 16.9140 k = 0.0208 0.0120 0.0085 ( 1687 PWs) bands (ev): 1.1358 1.1358 9.0040 9.0040 9.0558 9.0558 9.0596 9.0596 9.5992 9.5992 9.5993 9.5993 10.9485 10.9485 10.9487 10.9487 10.9914 10.9914 12.7681 12.7681 12.7717 12.7717 12.8463 12.8463 13.1702 13.1702 13.1705 13.1705 13.2019 13.2019 13.2028 13.2028 15.2926 15.2926 16.9150 16.9150 k = 0.0312 0.0180 0.0128 ( 1687 PWs) bands (ev): 1.1426 1.1426 8.9973 8.9973 9.0478 9.0478 9.0558 9.0558 9.6077 9.6077 9.6079 9.6079 10.9469 10.9469 10.9475 10.9475 10.9899 10.9899 12.7569 12.7569 12.7651 12.7651 12.8364 12.8364 13.1690 13.1690 13.1695 13.1695 13.2043 13.2043 13.2062 13.2062 15.2907 15.2907 16.9163 16.9163 k = 0.0417 0.0241 0.0170 ( 1690 PWs) bands (ev): 1.1521 1.1521 8.9869 8.9869 9.0375 9.0375 9.0507 9.0507 9.6193 9.6193 9.6197 9.6197 10.9448 10.9448 10.9459 10.9459 10.9877 10.9877 12.7414 12.7414 12.7561 12.7561 12.8232 12.8232 13.1672 13.1672 13.1683 13.1683 13.2075 13.2075 13.2106 13.2106 15.2885 15.2885 16.9172 16.9172 k = 0.0521 0.0301 0.0213 ( 1687 PWs) bands (ev): 1.1643 1.1643 8.9722 8.9722 9.0264 9.0264 9.0446 9.0446 9.6339 9.6339 9.6344 9.6344 10.9418 10.9418 10.9439 10.9439 10.9849 10.9849 12.7215 12.7215 12.7447 12.7447 12.8071 12.8071 13.1652 13.1652 13.1668 13.1668 13.2113 13.2113 13.2157 13.2157 15.2862 15.2862 16.9172 16.9172 k = 0.0625 0.0361 0.0255 ( 1693 PWs) bands (ev): 1.1791 1.1791 8.9523 8.9523 9.0152 9.0152 9.0376 9.0376 9.6512 9.6512 9.6518 9.6518 10.9379 10.9379 10.9413 10.9413 10.9813 10.9813 12.6973 12.6973 12.7312 12.7312 12.7885 12.7885 13.1625 13.1625 13.1650 13.1650 13.2156 13.2156 13.2213 13.2213 15.2842 15.2842 16.9159 16.9159 k = 0.0729 0.0421 0.0298 ( 1705 PWs) bands (ev): 1.1966 1.1966 8.9270 8.9270 9.0047 9.0047 9.0299 9.0299 9.6708 9.6708 9.6715 9.6715 10.9330 10.9330 10.9383 10.9383 10.9770 10.9770 12.6691 12.6691 12.7156 12.7156 12.7677 12.7677 13.1594 13.1594 13.1628 13.1628 13.2201 13.2201 13.2270 13.2270 15.2827 15.2827 16.9132 16.9132 k = 0.0833 0.0481 0.0340 ( 1705 PWs) bands (ev): 1.2168 1.2168 8.8967 8.8967 8.9948 8.9948 9.0219 9.0219 9.6929 9.6929 9.6936 9.6936 10.9270 10.9270 10.9350 10.9350 10.9721 10.9721 12.6376 12.6376 12.6983 12.6983 12.7454 12.7454 13.1560 13.1560 13.1606 13.1606 13.2250 13.2250 13.2330 13.2330 15.2819 15.2819 16.9087 16.9087 k = 0.0938 0.0541 0.0383 ( 1711 PWs) bands (ev): 1.2395 1.2395 8.8616 8.8616 8.9854 8.9854 9.0137 9.0137 9.7168 9.7168 9.7175 9.7175 10.9196 10.9196 10.9313 10.9313 10.9667 10.9667 12.6033 12.6033 12.6791 12.6791 12.7216 12.7216 13.1522 13.1522 13.1581 13.1581 13.2299 13.2299 13.2387 13.2387 15.2819 15.2819 16.9023 16.9023 k = 0.1042 0.0601 0.0425 ( 1705 PWs) bands (ev): 1.2649 1.2649 8.8221 8.8221 8.9763 8.9763 9.0054 9.0054 9.7428 9.7428 9.7434 9.7434 10.9107 10.9107 10.9276 10.9276 10.9611 10.9611 12.5667 12.5667 12.6588 12.6588 12.6967 12.6967 13.1482 13.1482 13.1554 13.1554 13.2346 13.2346 13.2442 13.2442 15.2823 15.2823 16.8936 16.8936 k = 0.1146 0.0662 0.0468 ( 1705 PWs) bands (ev): 1.2928 1.2928 8.7784 8.7784 8.9676 8.9676 8.9972 8.9972 9.7703 9.7703 9.7707 9.7707 10.9000 10.9000 10.9233 10.9233 10.9550 10.9550 12.5286 12.5286 12.6370 12.6370 12.6707 12.6707 13.1439 13.1439 13.1526 13.1526 13.2392 13.2392 13.2492 13.2492 15.2830 15.2830 16.8808 16.8808 k = 0.1250 0.0722 0.0510 ( 1705 PWs) bands (ev): 1.3233 1.3233 8.7308 8.7308 8.9593 8.9593 8.9892 8.9892 9.7993 9.7993 9.7995 9.7995 10.8873 10.8873 10.9187 10.9187 10.9487 10.9487 12.4896 12.4896 12.6139 12.6139 12.6436 12.6436 13.1393 13.1393 13.1496 13.1496 13.2434 13.2434 13.2536 13.2536 15.2833 15.2833 16.8590 16.8591 k = 0.1354 0.0782 0.0553 ( 1705 PWs) bands (ev): 1.3562 1.3562 8.6793 8.6793 8.9514 8.9514 8.9814 8.9814 9.8295 9.8295 9.8296 9.8296 10.8727 10.8727 10.9140 10.9140 10.9423 10.9423 12.4504 12.4504 12.5898 12.5898 12.6157 12.6157 13.1346 13.1346 13.1465 13.1465 13.2473 13.2473 13.2575 13.2575 15.2826 15.2826 16.8184 16.8184 k = 0.1458 0.0842 0.0595 ( 1705 PWs) bands (ev): 1.3916 1.3916 8.6240 8.6240 8.9439 8.9439 8.9741 8.9741 9.8605 9.8605 9.8610 9.8610 10.8561 10.8561 10.9091 10.9091 10.9360 10.9360 12.4116 12.4116 12.5646 12.5646 12.5869 12.5869 13.1297 13.1297 13.1434 13.1434 13.2506 13.2506 13.2606 13.2606 15.2799 15.2799 16.7582 16.7583 k = 0.1562 0.0902 0.0638 ( 1708 PWs) bands (ev): 1.4295 1.4295 8.5650 8.5650 8.9368 8.9368 8.9671 8.9671 9.8926 9.8926 9.8934 9.8934 10.8375 10.8375 10.9040 10.9040 10.9295 10.9295 12.3739 12.3739 12.5385 12.5385 12.5575 12.5575 13.1246 13.1246 13.1402 13.1402 13.2534 13.2534 13.2629 13.2629 15.2740 15.2740 16.6882 16.6882 k = 0.1667 0.0962 0.0680 ( 1711 PWs) bands (ev): 1.4696 1.4696 8.5026 8.5026 8.9304 8.9304 8.9606 8.9606 9.9253 9.9253 9.9266 9.9266 10.8171 10.8171 10.8990 10.8990 10.9233 10.9233 12.3371 12.3371 12.5116 12.5116 12.5274 12.5274 13.1195 13.1195 13.1370 13.1370 13.2557 13.2557 13.2645 13.2645 15.2637 15.2637 16.6148 16.6148 k = 0.1771 0.1022 0.0723 ( 1708 PWs) bands (ev): 1.5121 1.5121 8.4368 8.4368 8.9245 8.9245 8.9547 8.9547 9.9586 9.9586 9.9605 9.9605 10.7955 10.7955 10.8939 10.8939 10.9172 10.9172 12.3022 12.3022 12.4840 12.4840 12.4968 12.4968 13.1144 13.1144 13.1338 13.1338 13.2574 13.2574 13.2652 13.2652 15.2474 15.2474 16.5423 16.5423 k = 0.1875 0.1083 0.0765 ( 1699 PWs) bands (ev): 1.5568 1.5568 8.3675 8.3675 8.9191 8.9191 8.9494 8.9494 9.9925 9.9925 9.9949 9.9949 10.7726 10.7726 10.8892 10.8892 10.9115 10.9115 12.2693 12.2693 12.4559 12.4559 12.4658 12.4658 13.1094 13.1094 13.1308 13.1308 13.2585 13.2585 13.2651 13.2651 15.2235 15.2235 16.4739 16.4739 k = 0.1979 0.1143 0.0808 ( 1690 PWs) bands (ev): 1.6037 1.6037 8.2951 8.2951 8.9144 8.9144 8.9447 8.9447 10.0267 10.0267 10.0298 10.0298 10.7488 10.7488 10.8844 10.8844 10.9060 10.9060 12.2384 12.2384 12.4272 12.4272 12.4345 12.4345 13.1042 13.1042 13.1277 13.1277 13.2590 13.2590 13.2642 13.2642 15.1909 15.1909 16.4121 16.4121 k = 0.2083 0.1203 0.0851 ( 1690 PWs) bands (ev): 1.6527 1.6527 8.2194 8.2194 8.9101 8.9101 8.9404 8.9404 10.0611 10.0611 10.0649 10.0649 10.7245 10.7245 10.8798 10.8798 10.9006 10.9006 12.2095 12.2095 12.3980 12.3980 12.4029 12.4029 13.0991 13.0991 13.1246 13.1246 13.2588 13.2588 13.2624 13.2624 15.1483 15.1483 16.3588 16.3588 k = 0.2188 0.1263 0.0893 ( 1684 PWs) bands (ev): 1.7038 1.7038 8.1408 8.1408 8.9065 8.9065 8.9367 8.9367 10.0956 10.0956 10.1001 10.1001 10.7002 10.7002 10.8755 10.8755 10.8957 10.8957 12.1825 12.1825 12.3683 12.3683 12.3711 12.3711 13.0941 13.0941 13.1217 13.1217 13.2582 13.2582 13.2600 13.2600 15.0955 15.0955 16.3150 16.3150 k = 0.2292 0.1323 0.0936 ( 1685 PWs) bands (ev): 1.7567 1.7567 8.0593 8.0593 8.9033 8.9033 8.9336 8.9336 10.1301 10.1301 10.1353 10.1353 10.6759 10.6759 10.8715 10.8715 10.8912 10.8912 12.1576 12.1576 12.3384 12.3384 12.3394 12.3394 13.0891 13.0891 13.1188 13.1188 13.2565 13.2565 13.2567 13.2567 15.0329 15.0329 16.2810 16.2810 k = 0.2396 0.1383 0.0978 ( 1685 PWs) bands (ev): 1.8115 1.8115 7.9752 7.9752 8.9008 8.9008 8.9310 8.9310 10.1644 10.1644 10.1703 10.1703 10.6525 10.6525 10.8679 10.8679 10.8872 10.8872 12.1343 12.1343 12.3077 12.3077 12.3084 12.3084 13.0843 13.0843 13.1160 13.1160 13.2521 13.2521 13.2546 13.2546 14.9613 14.9613 16.2563 16.2563 k = 0.2500 0.1443 0.1021 ( 1679 PWs) bands (ev): 1.8680 1.8680 7.8887 7.8887 8.8987 8.8987 8.9289 8.9289 10.1984 10.1984 10.2050 10.2050 10.6300 10.6300 10.8649 10.8649 10.8840 10.8840 12.1125 12.1125 12.2763 12.2763 12.2782 12.2782 13.0796 13.0796 13.1134 13.1134 13.2471 13.2471 13.2519 13.2519 14.8823 14.8823 16.2397 16.2397 k = 0.2604 0.1504 0.1063 ( 1679 PWs) bands (ev): 1.9261 1.9261 7.8001 7.8001 8.8972 8.8972 8.9274 8.9274 10.2319 10.2319 10.2391 10.2391 10.6090 10.6090 10.8624 10.8624 10.8814 10.8814 12.0918 12.0918 12.2453 12.2453 12.2480 12.2480 13.0750 13.0750 13.1108 13.1108 13.2412 13.2412 13.2487 13.2487 14.7975 14.7975 16.2300 16.2300 k = 0.2708 0.1564 0.1106 ( 1673 PWs) bands (ev): 1.9856 1.9856 7.7096 7.7096 8.8961 8.8961 8.9263 8.9263 10.2648 10.2648 10.2726 10.2726 10.5896 10.5896 10.8607 10.8607 10.8797 10.8797 12.0721 12.0721 12.2149 12.2149 12.2180 12.2180 13.0704 13.0704 13.1084 13.1084 13.2348 13.2348 13.2449 13.2449 14.7085 14.7085 16.2259 16.2259 k = 0.2812 0.1624 0.1148 ( 1679 PWs) bands (ev): 2.0465 2.0465 7.6176 7.6176 8.8954 8.8954 8.9256 8.9256 10.2968 10.2968 10.3050 10.3050 10.5721 10.5721 10.8596 10.8596 10.8789 10.8789 12.0529 12.0529 12.1852 12.1852 12.1880 12.1880 13.0659 13.0659 13.1058 13.1058 13.2276 13.2276 13.2407 13.2407 14.6169 14.6169 16.2261 16.2261 k = 0.2917 0.1684 0.1191 ( 1682 PWs) bands (ev): 2.1085 2.1085 7.5244 7.5244 8.8952 8.8952 8.9253 8.9253 10.3277 10.3277 10.3363 10.3363 10.5566 10.5566 10.8595 10.8595 10.8792 10.8792 12.0339 12.0339 12.1565 12.1565 12.1584 12.1584 13.0616 13.0616 13.1036 13.1036 13.2196 13.2196 13.2358 13.2358 14.5240 14.5240 16.2296 16.2296 k = 0.3021 0.1744 0.1233 ( 1682 PWs) bands (ev): 2.1714 2.1714 7.4303 7.4303 8.8953 8.8953 8.9254 8.9254 10.3575 10.3575 10.3662 10.3662 10.5435 10.5435 10.8603 10.8603 10.8807 10.8807 12.0148 12.0148 12.1291 12.1291 12.1292 12.1292 13.0574 13.0574 13.1014 13.1014 13.2114 13.2114 13.2307 13.2307 14.4310 14.4310 16.2355 16.2355 k = 0.3125 0.1804 0.1276 ( 1682 PWs) bands (ev): 2.2351 2.2351 7.3358 7.3358 8.8957 8.8957 8.9258 8.9258 10.3859 10.3859 10.3945 10.3945 10.5328 10.5328 10.8621 10.8621 10.8835 10.8835 11.9952 11.9952 12.1005 12.1005 12.1030 12.1030 13.0533 13.0533 13.0992 13.0992 13.2027 13.2027 13.2253 13.2253 14.3390 14.3390 16.2431 16.2431 k = 0.3229 0.1864 0.1318 ( 1682 PWs) bands (ev): 2.2993 2.2993 7.2412 7.2412 8.8964 8.8964 8.9266 8.9266 10.4128 10.4128 10.4209 10.4209 10.5246 10.5246 10.8651 10.8651 10.8877 10.8877 11.9749 11.9749 12.0724 12.0724 12.0785 12.0785 13.0493 13.0493 13.0971 13.0971 13.1937 13.1937 13.2197 13.2197 14.2488 14.2488 16.2518 16.2518 k = 0.3333 0.1925 0.1361 ( 1688 PWs) bands (ev): 2.3638 2.3638 7.1470 7.1470 8.8973 8.8973 8.9275 8.9275 10.4379 10.4379 10.4450 10.4450 10.5191 10.5191 10.8690 10.8690 10.8931 10.8931 11.9539 11.9539 12.0450 12.0450 12.0556 12.0556 13.0453 13.0453 13.0948 13.0948 13.1845 13.1845 13.2139 13.2139 14.1611 14.1611 16.2611 16.2611 k = 0.3438 0.1985 0.1403 ( 1688 PWs) bands (ev): 2.4282 2.4282 7.0538 7.0538 8.8985 8.8985 8.9286 8.9286 10.4613 10.4613 10.4664 10.4664 10.5165 10.5165 10.8742 10.8742 10.9001 10.9001 11.9323 11.9323 12.0185 12.0185 12.0341 12.0341 13.0415 13.0415 13.0927 13.0927 13.1752 13.1752 13.2080 13.2080 14.0767 14.0767 16.2708 16.2708 k = 0.3542 0.2045 0.1446 ( 1676 PWs) bands (ev): 2.4923 2.4923 6.9619 6.9619 8.8999 8.8999 8.9300 8.9300 10.4829 10.4829 10.4842 10.4842 10.5179 10.5179 10.8806 10.8806 10.9085 10.9085 11.9103 11.9103 11.9931 11.9931 12.0138 12.0138 13.0381 13.0381 13.0906 13.0906 13.1660 13.1660 13.2021 13.2021 13.9960 13.9960 16.2804 16.2804 k = 0.3646 0.2105 0.1488 ( 1676 PWs) bands (ev): 2.5556 2.5556 6.8720 6.8720 8.9014 8.9014 8.9315 8.9315 10.4963 10.4963 10.5023 10.5023 10.5246 10.5246 10.8879 10.8879 10.9181 10.9181 11.8881 11.8881 11.9687 11.9687 11.9946 11.9946 13.0344 13.0344 13.0882 13.0882 13.1570 13.1570 13.1963 13.1963 13.9196 13.9196 16.2899 16.2899 k = 0.3750 0.2165 0.1531 ( 1679 PWs) bands (ev): 2.6178 2.6178 6.7845 6.7845 8.9029 8.9029 8.9330 8.9330 10.5040 10.5040 10.5197 10.5197 10.5358 10.5358 10.8961 10.8961 10.9286 10.9286 11.8661 11.8661 11.9454 11.9454 11.9759 11.9759 13.0308 13.0308 13.0855 13.0855 13.1484 13.1484 13.1906 13.1906 13.8478 13.8478 16.2989 16.2989 k = 0.3854 0.2225 0.1573 ( 1679 PWs) bands (ev): 2.6784 2.6784 6.7001 6.7001 8.9045 8.9045 8.9346 8.9346 10.5099 10.5099 10.5352 10.5352 10.5481 10.5481 10.9049 10.9049 10.9400 10.9400 11.8447 11.8447 11.9236 11.9236 11.9580 11.9580 13.0274 13.0274 13.0825 13.0825 13.1404 13.1404 13.1851 13.1851 13.7811 13.7811 16.3075 16.3075 k = 0.3958 0.2285 0.1616 ( 1685 PWs) bands (ev): 2.7368 2.7368 6.6195 6.6195 8.9060 8.9060 8.9361 8.9361 10.5159 10.5159 10.5487 10.5487 10.5596 10.5596 10.9141 10.9141 10.9517 10.9517 11.8241 11.8241 11.9031 11.9031 11.9407 11.9407 13.0240 13.0240 13.0791 13.0791 13.1331 13.1331 13.1799 13.1799 13.7198 13.7198 16.3155 16.3155 k = 0.4062 0.2345 0.1659 ( 1685 PWs) bands (ev): 2.7926 2.7926 6.5432 6.5432 8.9076 8.9076 8.9376 8.9376 10.5225 10.5225 10.5606 10.5606 10.5700 10.5700 10.9236 10.9236 10.9637 10.9637 11.8046 11.8046 11.8842 11.8842 11.9241 11.9241 13.0208 13.0208 13.0752 13.0752 13.1268 13.1268 13.1750 13.1750 13.6640 13.6640 16.3229 16.3229 k = 0.4167 0.2406 0.1701 ( 1685 PWs) bands (ev): 2.8451 2.8451 6.4721 6.4721 8.9091 8.9091 8.9391 8.9391 10.5295 10.5295 10.5707 10.5707 10.5791 10.5791 10.9330 10.9330 10.9755 10.9755 11.7864 11.7864 11.8670 11.8670 11.9082 11.9082 13.0178 13.0178 13.0711 13.0711 13.1215 13.1215 13.1706 13.1706 13.6140 13.6140 16.3295 16.3295 k = 0.4271 0.2466 0.1744 ( 1685 PWs) bands (ev): 2.8937 2.8937 6.4069 6.4069 8.9105 8.9105 8.9405 8.9405 10.5368 10.5368 10.5793 10.5793 10.5869 10.5869 10.9421 10.9421 10.9869 10.9869 11.7696 11.7696 11.8515 11.8515 11.8933 11.8933 13.0149 13.0149 13.0667 13.0667 13.1171 13.1171 13.1665 13.1665 13.5698 13.5698 16.3354 16.3355 k = 0.4375 0.2526 0.1786 ( 1685 PWs) bands (ev): 2.9378 2.9378 6.3483 6.3483 8.9119 8.9119 8.9419 8.9419 10.5435 10.5435 10.5866 10.5866 10.5934 10.5934 10.9506 10.9506 10.9974 10.9974 11.7546 11.7546 11.8380 11.8380 11.8795 11.8795 13.0123 13.0123 13.0623 13.0623 13.1136 13.1136 13.1630 13.1630 13.5315 13.5315 16.3406 16.3406 k = 0.4479 0.2586 0.1829 ( 1685 PWs) bands (ev): 2.9765 2.9765 6.2971 6.2971 8.9130 8.9130 8.9430 8.9430 10.5503 10.5503 10.5925 10.5925 10.5989 10.5989 10.9581 10.9581 11.0068 11.0068 11.7414 11.7414 11.8263 11.8263 11.8672 11.8672 13.0100 13.0100 13.0581 13.0581 13.1108 13.1108 13.1600 13.1600 13.4993 13.4993 16.3450 16.3450 k = 0.4583 0.2646 0.1871 ( 1685 PWs) bands (ev): 3.0093 3.0093 6.2539 6.2539 8.9139 8.9139 8.9440 8.9440 10.5564 10.5564 10.5972 10.5972 10.6033 10.6033 10.9646 10.9646 11.0148 11.0148 11.7303 11.7303 11.8167 11.8167 11.8567 11.8567 13.0081 13.0081 13.0543 13.0543 13.1087 13.1087 13.1575 13.1575 13.4729 13.4729 16.3485 16.3485 k = 0.4688 0.2706 0.1914 ( 1685 PWs) bands (ev): 3.0356 3.0356 6.2196 6.2196 8.9147 8.9147 8.9447 8.9447 10.5615 10.5615 10.6008 10.6008 10.6068 10.6068 10.9698 10.9698 11.0213 11.0213 11.7215 11.7215 11.8091 11.8091 11.8481 11.8481 13.0065 13.0065 13.0512 13.0512 13.1071 13.1071 13.1556 13.1556 13.4525 13.4525 16.3513 16.3513 k = 0.4792 0.2766 0.1956 ( 1694 PWs) bands (ev): 3.0548 3.0548 6.1946 6.1946 8.9152 8.9152 8.9453 8.9453 10.5653 10.5653 10.6033 10.6033 10.6092 10.6092 10.9736 10.9736 11.0259 11.0259 11.7149 11.7149 11.8036 11.8036 11.8418 11.8418 13.0052 13.0052 13.0487 13.0487 13.1059 13.1059 13.1541 13.1541 13.4378 13.4378 16.3533 16.3533 k = 0.4896 0.2827 0.1999 ( 1694 PWs) bands (ev): 3.0665 3.0665 6.1795 6.1795 8.9156 8.9156 8.9456 8.9456 10.5677 10.5677 10.6048 10.6048 10.6107 10.6107 10.9760 10.9760 11.0288 11.0288 11.7110 11.7110 11.8003 11.8003 11.8380 11.8380 13.0045 13.0045 13.0473 13.0473 13.1053 13.1053 13.1533 13.1533 13.4291 13.4291 16.3545 16.3545 k = 0.5000 0.2887 0.2041 ( 1694 PWs) bands (ev): 3.0704 3.0704 6.1744 6.1744 8.9157 8.9157 8.9457 8.9457 10.5685 10.5685 10.6053 10.6053 10.6112 10.6112 10.9767 10.9767 11.0298 11.0298 11.7097 11.7097 11.7992 11.7992 11.8367 11.8367 13.0043 13.0043 13.0468 13.0468 13.1050 13.1050 13.1530 13.1530 13.4262 13.4262 16.3549 16.3549 k = 0.5000 0.2887 0.2041 ( 1694 PWs) bands (ev): 3.0704 3.0704 6.1744 6.1744 8.9157 8.9157 8.9457 8.9457 10.5685 10.5685 10.6053 10.6053 10.6112 10.6112 10.9767 10.9767 11.0298 11.0298 11.7097 11.7097 11.7992 11.7992 11.8367 11.8367 13.0043 13.0043 13.0468 13.0468 13.1050 13.1050 13.1530 13.1530 13.4262 13.4262 16.3549 16.3549 k = 0.5037 0.2781 0.2101 ( 1694 PWs) bands (ev): 3.0711 3.0711 6.1757 6.1757 8.9149 8.9149 8.9450 8.9450 10.5660 10.5660 10.6050 10.6050 10.6105 10.6105 10.9785 10.9785 11.0314 11.0314 11.7095 11.7095 11.7985 11.7985 11.8370 11.8370 13.0045 13.0045 13.0473 13.0473 13.1043 13.1043 13.1524 13.1524 13.4262 13.4262 16.3394 16.3394 k = 0.5074 0.2674 0.2161 ( 1694 PWs) bands (ev): 3.0732 3.0732 6.1799 6.1799 8.9117 8.9117 8.9438 8.9438 10.5581 10.5581 10.6042 10.6042 10.6093 10.6093 10.9836 10.9836 11.0362 11.0362 11.7088 11.7088 11.7962 11.7962 11.8381 11.8381 13.0053 13.0053 13.0486 13.0486 13.1018 13.1018 13.1506 13.1506 13.4261 13.4261 16.2951 16.2951 k = 0.5110 0.2568 0.2221 ( 1695 PWs) bands (ev): 3.0767 3.0767 6.1868 6.1868 8.9045 8.9045 8.9437 8.9437 10.5444 10.5444 10.6026 10.6026 10.6088 10.6088 10.9912 10.9912 11.0442 11.0442 11.7075 11.7075 11.7925 11.7925 11.8400 11.8400 13.0066 13.0066 13.0508 13.0508 13.0976 13.0976 13.1480 13.1480 13.4261 13.4261 16.2276 16.2276 k = 0.5147 0.2462 0.2281 ( 1695 PWs) bands (ev): 3.0815 3.0815 6.1964 6.1964 8.8921 8.8921 8.9459 8.9459 10.5253 10.5253 10.6001 10.6001 10.6099 10.6099 11.0007 11.0007 11.0550 11.0550 11.7052 11.7052 11.7874 11.7874 11.8432 11.8432 13.0080 13.0080 13.0539 13.0539 13.0914 13.0914 13.1450 13.1450 13.4261 13.4261 16.1425 16.1425 k = 0.5184 0.2356 0.2341 ( 1697 PWs) bands (ev): 3.0877 3.0877 6.2088 6.2088 8.8747 8.8747 8.9503 8.9503 10.5016 10.5016 10.5970 10.5970 10.6123 10.6123 11.0115 11.0115 11.0682 11.0682 11.7016 11.7016 11.7810 11.7810 11.8478 11.8478 13.0093 13.0093 13.0575 13.0575 13.0831 13.0831 13.1421 13.1421 13.4261 13.4261 16.0445 16.0445 k = 0.5221 0.2250 0.2401 ( 1695 PWs) bands (ev): 3.0952 3.0952 6.2239 6.2239 8.8527 8.8527 8.9565 8.9565 10.4744 10.4744 10.5935 10.5935 10.6160 10.6160 11.0233 11.0233 11.0832 11.0832 11.6966 11.6966 11.7734 11.7734 11.8541 11.8541 13.0103 13.0103 13.0603 13.0603 13.0742 13.0742 13.1400 13.1400 13.4263 13.4263 15.9373 15.9373 k = 0.5257 0.2144 0.2461 ( 1694 PWs) bands (ev): 3.1041 3.1041 6.2417 6.2417 8.8265 8.8265 8.9644 8.9644 10.4443 10.4443 10.5896 10.5896 10.6209 10.6209 11.0360 11.0360 11.0991 11.0991 11.6901 11.6901 11.7649 11.7649 11.8619 11.8619 13.0102 13.0102 13.0545 13.0545 13.0725 13.0725 13.1389 13.1389 13.4265 13.4265 15.8237 15.8237 k = 0.5294 0.2038 0.2522 ( 1691 PWs) bands (ev): 3.1142 3.1142 6.2622 6.2622 8.7964 8.7964 8.9739 8.9739 10.4118 10.4118 10.5855 10.5855 10.6269 10.6269 11.0496 11.0496 11.1153 11.1153 11.6822 11.6822 11.7555 11.7555 11.8713 11.8713 13.0087 13.0087 13.0407 13.0407 13.0778 13.0778 13.1393 13.1393 13.4267 13.4267 15.7058 15.7058 k = 0.5331 0.1932 0.2582 ( 1691 PWs) bands (ev): 3.1255 3.1255 6.2853 6.2853 8.7626 8.7626 8.9846 8.9846 10.3775 10.3775 10.5813 10.5813 10.6341 10.6341 11.0640 11.0640 11.1310 11.1310 11.6730 11.6730 11.7454 11.7454 11.8821 11.8821 13.0044 13.0044 13.0253 13.0253 13.0848 13.0848 13.1413 13.1413 13.4271 13.4271 15.5854 15.5854 k = 0.5368 0.1825 0.2642 ( 1697 PWs) bands (ev): 3.1381 3.1381 6.3110 6.3110 8.7253 8.7253 8.9966 8.9966 10.3416 10.3416 10.5770 10.5770 10.6423 10.6423 11.0789 11.0789 11.1456 11.1456 11.6629 11.6629 11.7348 11.7348 11.8940 11.8940 12.9943 12.9943 13.0121 13.0121 13.0927 13.0927 13.1449 13.1449 13.4276 13.4276 15.4637 15.4637 k = 0.5404 0.1719 0.2702 ( 1701 PWs) bands (ev): 3.1517 3.1517 6.3392 6.3392 8.6846 8.6846 9.0097 9.0097 10.3043 10.3043 10.5727 10.5727 10.6520 10.6520 11.0945 11.0945 11.1590 11.1590 11.6522 11.6522 11.7237 11.7237 11.9067 11.9067 12.9774 12.9774 13.0029 13.0029 13.1013 13.1013 13.1502 13.1502 13.4281 13.4281 15.3419 15.3419 k = 0.5441 0.1613 0.2762 ( 1700 PWs) bands (ev): 3.1665 3.1665 6.3700 6.3700 8.6409 8.6409 9.0241 9.0241 10.2661 10.2661 10.5686 10.5686 10.6628 10.6628 11.1104 11.1104 11.1708 11.1708 11.6413 11.6413 11.7125 11.7125 11.9200 11.9200 12.9572 12.9572 12.9946 12.9946 13.1104 13.1104 13.1570 13.1570 13.4286 13.4286 15.2210 15.2210 k = 0.5478 0.1507 0.2822 ( 1704 PWs) bands (ev): 3.1822 3.1822 6.4033 6.4033 8.5943 8.5943 9.0395 9.0395 10.2269 10.2269 10.5647 10.5647 10.6747 10.6747 11.1260 11.1260 11.1810 11.1810 11.6303 11.6303 11.7012 11.7012 11.9337 11.9337 12.9358 12.9358 12.9853 12.9853 13.1200 13.1200 13.1653 13.1653 13.4291 13.4291 15.1016 15.1016 k = 0.5515 0.1401 0.2882 ( 1696 PWs) bands (ev): 3.1989 3.1989 6.4390 6.4390 8.5451 8.5451 9.0562 9.0562 10.1871 10.1871 10.5611 10.5611 10.6879 10.6879 11.1408 11.1408 11.1902 11.1902 11.6195 11.6195 11.6905 11.6905 11.9474 11.9474 12.9140 12.9140 12.9751 12.9751 13.1299 13.1299 13.1748 13.1748 13.4295 13.4295 14.9846 14.9846 k = 0.5551 0.1295 0.2942 ( 1694 PWs) bands (ev): 3.2165 3.2165 6.4770 6.4770 8.4936 8.4936 9.0738 9.0738 10.1466 10.1466 10.5577 10.5577 10.7021 10.7021 11.1528 11.1528 11.1998 11.1998 11.6086 11.6086 11.6805 11.6805 11.9609 11.9609 12.8923 12.8923 12.9638 12.9638 13.1399 13.1399 13.1853 13.1853 13.4298 13.4298 14.8703 14.8703 k = 0.5588 0.1189 0.3002 ( 1696 PWs) bands (ev): 3.2348 3.2348 6.5172 6.5172 8.4399 8.4399 9.0923 9.0923 10.1056 10.1056 10.5546 10.5546 10.7171 10.7171 11.1600 11.1600 11.2117 11.2117 11.5974 11.5974 11.6718 11.6718 11.9740 11.9740 12.8710 12.8710 12.9514 12.9514 13.1500 13.1500 13.1968 13.1968 13.4298 13.4298 14.7594 14.7594 k = 0.5625 0.1083 0.3062 ( 1697 PWs) bands (ev): 3.2539 3.2539 6.5597 6.5597 8.3844 8.3844 9.1118 9.1118 10.0642 10.0642 10.5520 10.5520 10.7329 10.7329 11.1614 11.1614 11.2268 11.2268 11.5856 11.5856 11.6649 11.6649 11.9865 11.9865 12.8505 12.8505 12.9381 12.9381 13.1599 13.1599 13.2091 13.2091 13.4295 13.4295 14.6524 14.6524 k = 0.5662 0.0976 0.3122 ( 1696 PWs) bands (ev): 3.2735 3.2735 6.6042 6.6042 8.3273 8.3273 9.1321 9.1321 10.0228 10.0228 10.5498 10.5498 10.7495 10.7495 11.1581 11.1581 11.2443 11.2443 11.5730 11.5730 11.6602 11.6602 11.9983 11.9983 12.8310 12.8310 12.9239 12.9239 13.1697 13.1697 13.2220 13.2220 13.4290 13.4290 14.5496 14.5496 k = 0.5699 0.0870 0.3182 ( 1696 PWs) bands (ev): 3.2935 3.2935 6.6506 6.6506 8.2689 8.2689 9.1532 9.1532 9.9813 9.9813 10.5480 10.5480 10.7663 10.7663 11.1510 11.1510 11.2632 11.2632 11.5594 11.5594 11.6576 11.6576 12.0092 12.0092 12.8129 12.8129 12.9090 12.9090 13.1792 13.1792 13.2356 13.2356 13.4282 13.4282 14.4513 14.4513 k = 0.5735 0.0764 0.3242 ( 1700 PWs) bands (ev): 3.3139 3.3139 6.6988 6.6988 8.2094 8.2094 9.1751 9.1751 9.9400 9.9400 10.5467 10.5467 10.7831 10.7831 11.1412 11.1412 11.2828 11.2828 11.5450 11.5450 11.6569 11.6569 12.0192 12.0192 12.7963 12.7963 12.8933 12.8933 13.1881 13.1881 13.2497 13.2497 13.4272 13.4272 14.3580 14.3580 k = 0.5772 0.0658 0.3302 ( 1698 PWs) bands (ev): 3.3345 3.3345 6.7485 6.7485 8.1494 8.1494 9.1977 9.1977 9.8991 9.8991 10.5459 10.5459 10.7999 10.7999 11.1295 11.1295 11.3025 11.3025 11.5303 11.5303 11.6578 11.6578 12.0283 12.0283 12.7814 12.7814 12.8771 12.8771 13.1962 13.1962 13.2644 13.2644 13.4259 13.4259 14.2700 14.2700 k = 0.5809 0.0552 0.3362 ( 1698 PWs) bands (ev): 3.3551 3.3551 6.7996 6.7996 8.0891 8.0891 9.2208 9.2208 9.8588 9.8588 10.5455 10.5455 10.8162 10.8162 11.1164 11.1164 11.3219 11.3219 11.5155 11.5155 11.6601 11.6601 12.0366 12.0366 12.7683 12.7683 12.8603 12.8603 13.2034 13.2034 13.2794 13.2794 13.4245 13.4245 14.1876 14.1876 k = 0.5846 0.0446 0.3422 ( 1694 PWs) bands (ev): 3.3756 3.3756 6.8517 6.8517 8.0290 8.0290 9.2445 9.2445 9.8192 9.8192 10.5457 10.5457 10.8317 10.8317 11.1024 11.1024 11.3402 11.3402 11.5016 11.5016 11.6634 11.6634 12.0440 12.0440 12.7572 12.7572 12.8431 12.8431 13.2093 13.2093 13.2947 13.2947 13.4230 13.4230 14.1110 14.1110 k = 0.5882 0.0340 0.3482 ( 1694 PWs) bands (ev): 3.3958 3.3958 6.9043 6.9043 7.9698 7.9698 9.2685 9.2685 9.7807 9.7807 10.5463 10.5463 10.8456 10.8456 11.0881 11.0881 11.3562 11.3562 11.4896 11.4896 11.6673 11.6673 12.0509 12.0509 12.7480 12.7480 12.8255 12.8255 13.2135 13.2135 13.3103 13.3103 13.4216 13.4216 14.0405 14.0405 k = 0.5919 0.0233 0.3542 ( 1690 PWs) bands (ev): 3.4155 3.4155 6.9569 6.9569 7.9122 7.9122 9.2929 9.2929 9.7434 9.7434 10.5474 10.5474 10.8576 10.8576 11.0739 11.0739 11.3681 11.3681 11.4816 11.4816 11.6717 11.6717 12.0574 12.0574 12.7407 12.7407 12.8076 12.8076 13.2158 13.2158 13.3261 13.3261 13.4207 13.4207 13.9763 13.9763 k = 0.5956 0.0127 0.3602 ( 1692 PWs) bands (ev): 3.4345 3.4345 7.0086 7.0086 7.8573 7.8573 9.3175 9.3175 9.7075 9.7075 10.5489 10.5489 10.8671 10.8671 11.0604 11.0604 11.3731 11.3731 11.4800 11.4800 11.6764 11.6764 12.0637 12.0637 12.7353 12.7353 12.7894 12.7894 13.2158 13.2158 13.3420 13.3420 13.4201 13.4201 13.9184 13.9184 k = 0.5993 0.0021 0.3662 ( 1690 PWs) bands (ev): 3.4526 3.4526 7.0582 7.0582 7.8064 7.8064 9.3423 9.3423 9.6733 9.6733 10.5509 10.5509 10.8734 10.8734 11.0480 11.0480 11.3702 11.3702 11.4863 11.4863 11.6814 11.6814 12.0703 12.0703 12.7316 12.7316 12.7711 12.7711 13.2133 13.2133 13.3579 13.3579 13.4202 13.4202 13.8672 13.8672 k = 0.6029-0.0085 0.3722 ( 1690 PWs) bands (ev): 3.4695 3.4695 7.1037 7.1037 7.7617 7.7617 9.3671 9.3671 9.6409 9.6409 10.5531 10.5531 10.8760 10.8760 11.0369 11.0369 11.3610 11.3610 11.4986 11.4986 11.6865 11.6865 12.0775 12.0775 12.7293 12.7293 12.7531 12.7531 13.2082 13.2082 13.3735 13.3735 13.4212 13.4212 13.8224 13.8224 k = 0.6066-0.0191 0.3782 ( 1686 PWs) bands (ev): 3.4851 3.4851 7.1424 7.1424 7.7261 7.7261 9.3918 9.3918 9.6108 9.6108 10.5556 10.5556 10.8746 10.8746 11.0275 11.0275 11.3480 11.3480 11.5144 11.5144 11.6919 11.6919 12.0857 12.0857 12.7252 12.7252 12.7382 12.7382 13.2006 13.2006 13.3887 13.3887 13.4231 13.4231 13.7839 13.7839 k = 0.6103-0.0297 0.3842 ( 1686 PWs) bands (ev): 3.4991 3.4991 7.1708 7.1708 7.7034 7.7034 9.4163 9.4163 9.5829 9.5829 10.5585 10.5585 10.8694 10.8694 11.0193 11.0193 11.3331 11.3331 11.5319 11.5319 11.6972 11.6972 12.0953 12.0953 12.7110 12.7110 12.7349 12.7349 13.1906 13.1906 13.4030 13.4030 13.4259 13.4259 13.7514 13.7514 k = 0.6140-0.0403 0.3902 ( 1684 PWs) bands (ev): 3.5112 3.5112 7.1854 7.1854 7.6971 7.6971 9.4406 9.4406 9.5576 9.5576 10.5615 10.5615 10.8605 10.8605 11.0118 11.0118 11.3173 11.3173 11.5500 11.5500 11.7025 11.7025 12.1067 12.1067 12.6926 12.6926 12.7370 12.7370 13.1788 13.1788 13.4157 13.4157 13.4296 13.4296 13.7246 13.7246 k = 0.6176-0.0509 0.3962 ( 1685 PWs) bands (ev): 3.5211 3.5211 7.1847 7.1847 7.7090 7.7090 9.4644 9.4644 9.5350 9.5350 10.5646 10.5646 10.8484 10.8484 11.0046 11.0046 11.3010 11.3010 11.5681 11.5681 11.7078 11.7078 12.1201 12.1201 12.6735 12.6735 12.7411 12.7411 13.1656 13.1656 13.4257 13.4257 13.4343 13.4343 13.7032 13.7032 k = 0.6213-0.0616 0.4022 ( 1682 PWs) bands (ev): 3.5286 3.5286 7.1703 7.1703 7.7378 7.7378 9.4877 9.4877 9.5153 9.5153 10.5678 10.5678 10.8339 10.8339 10.9972 10.9972 11.2850 11.2850 11.5857 11.5857 11.7129 11.7129 12.1358 12.1358 12.6543 12.6543 12.7466 12.7466 13.1517 13.1517 13.4323 13.4323 13.4393 13.4393 13.6865 13.6865 k = 0.6250-0.0722 0.4082 ( 1682 PWs) bands (ev): 3.5335 3.5335 7.1459 7.1459 7.7799 7.7799 9.4982 9.4982 9.5105 9.5105 10.5709 10.5709 10.8171 10.8171 10.9890 10.9890 11.2692 11.2692 11.6026 11.6026 11.7178 11.7178 12.1539 12.1539 12.6350 12.6350 12.7531 12.7531 13.1374 13.1374 13.4358 13.4358 13.4425 13.4425 13.6741 13.6741 k = 0.6250-0.0722 0.4082 ( 1682 PWs) bands (ev): 3.5335 3.5335 7.1459 7.1459 7.7799 7.7799 9.4982 9.4982 9.5105 9.5105 10.5709 10.5709 10.8171 10.8171 10.9890 10.9890 11.2692 11.2692 11.6026 11.6026 11.7178 11.7178 12.1539 12.1539 12.6350 12.6350 12.7531 12.7531 13.1374 13.1374 13.4358 13.4358 13.4425 13.4425 13.6741 13.6741 k = 0.6188-0.0686 0.4185 ( 1682 PWs) bands (ev): 3.5338 3.5338 7.1470 7.1470 7.7802 7.7802 9.4584 9.4584 9.5481 9.5481 10.5715 10.5715 10.8165 10.8165 10.9885 10.9885 11.2697 11.2697 11.6018 11.6018 11.7182 11.7182 12.1543 12.1543 12.6352 12.6352 12.7543 12.7543 13.1366 13.1366 13.4221 13.4221 13.4544 13.4544 13.6746 13.6746 k = 0.6125-0.0650 0.4287 ( 1682 PWs) bands (ev): 3.5347 3.5347 7.1505 7.1505 7.7812 7.7812 9.4110 9.4110 9.5888 9.5888 10.5732 10.5732 10.8147 10.8147 10.9868 10.9868 11.2714 11.2714 11.5992 11.5992 11.7193 11.7193 12.1555 12.1555 12.6356 12.6356 12.7578 12.7578 13.1340 13.1340 13.4040 13.4040 13.4674 13.4674 13.6760 13.6760 k = 0.6062-0.0613 0.4389 ( 1681 PWs) bands (ev): 3.5363 3.5363 7.1562 7.1562 7.7827 7.7827 9.3615 9.3615 9.6274 9.6274 10.5761 10.5761 10.8118 10.8118 10.9840 10.9840 11.2741 11.2741 11.5952 11.5952 11.7211 11.7211 12.1575 12.1575 12.6365 12.6365 12.7636 12.7636 13.1298 13.1298 13.3842 13.3842 13.4788 13.4788 13.6782 13.6782 k = 0.6000-0.0577 0.4491 ( 1684 PWs) bands (ev): 3.5384 3.5384 7.1643 7.1643 7.7847 7.7847 9.3102 9.3102 9.6635 9.6635 10.5799 10.5799 10.8076 10.8076 10.9803 10.9803 11.2777 11.2777 11.5898 11.5898 11.7235 11.7235 12.1600 12.1600 12.6380 12.6380 12.7711 12.7711 13.1240 13.1240 13.3630 13.3630 13.4887 13.4887 13.6810 13.6810 k = 0.5938-0.0541 0.4593 ( 1682 PWs) bands (ev): 3.5411 3.5411 7.1746 7.1746 7.7870 7.7870 9.2574 9.2574 9.6972 9.6972 10.5849 10.5849 10.8023 10.8023 10.9757 10.9757 11.2822 11.2822 11.5833 11.5833 11.7264 11.7264 12.1634 12.1634 12.6402 12.6402 12.7802 12.7802 13.1168 13.1168 13.3405 13.3405 13.4972 13.4972 13.6840 13.6840 k = 0.5875-0.0505 0.4695 ( 1686 PWs) bands (ev): 3.5443 3.5443 7.1872 7.1872 7.7894 7.7894 9.2035 9.2035 9.7283 9.7283 10.5907 10.5907 10.7960 10.7960 10.9705 10.9705 11.2873 11.2873 11.5757 11.5757 11.7299 11.7299 12.1672 12.1672 12.6432 12.6432 12.7906 12.7906 13.1082 13.1082 13.3170 13.3170 13.5044 13.5044 13.6862 13.6862 k = 0.5813-0.0469 0.4797 ( 1682 PWs) bands (ev): 3.5479 3.5479 7.2021 7.2021 7.7917 7.7917 9.1487 9.1487 9.7571 9.7571 10.5975 10.5975 10.7888 10.7888 10.9647 10.9647 11.2932 11.2932 11.5673 11.5673 11.7339 11.7339 12.1716 12.1716 12.6470 12.6470 12.8018 12.8018 13.0985 13.0985 13.2926 13.2926 13.5105 13.5105 13.6773 13.6773 k = 0.5750-0.0433 0.4899 ( 1686 PWs) bands (ev): 3.5520 3.5520 7.2192 7.2192 7.7936 7.7936 9.0936 9.0936 9.7832 9.7832 10.6050 10.6050 10.7808 10.7808 10.9585 10.9585 11.2997 11.2997 11.5583 11.5583 11.7383 11.7383 12.1763 12.1763 12.6516 12.6516 12.8135 12.8135 13.0878 13.0878 13.2676 13.2676 13.5157 13.5157 13.6567 13.6568 k = 0.5687-0.0397 0.5001 ( 1686 PWs) bands (ev): 3.5564 3.5564 7.2386 7.2386 7.7947 7.7947 9.0387 9.0387 9.8068 9.8068 10.6133 10.6133 10.7724 10.7724 10.9522 10.9522 11.3066 11.3066 11.5486 11.5486 11.7432 11.7432 12.1812 12.1812 12.6570 12.6570 12.8256 12.8256 13.0764 13.0764 13.2423 13.2423 13.5201 13.5201 13.6350 13.6350 k = 0.5625-0.0361 0.5103 ( 1683 PWs) bands (ev): 3.5610 3.5610 7.2602 7.2602 7.7945 7.7945 8.9847 8.9847 9.8280 9.8280 10.6223 10.6223 10.7637 10.7637 10.9458 10.9458 11.3141 11.3141 11.5385 11.5385 11.7485 11.7485 12.1863 12.1863 12.6632 12.6632 12.8376 12.8376 13.0647 13.0647 13.2169 13.2169 13.5238 13.5238 13.6141 13.6141 k = 0.5563-0.0325 0.5205 ( 1683 PWs) bands (ev): 3.5659 3.5659 7.2840 7.2840 7.7924 7.7924 8.9323 8.9323 9.8466 9.8466 10.6315 10.6315 10.7548 10.7548 10.9396 10.9396 11.3218 11.3218 11.5279 11.5279 11.7542 11.7542 12.1913 12.1913 12.6699 12.6699 12.8493 12.8493 13.0528 13.0528 13.1917 13.1917 13.5268 13.5268 13.5943 13.5943 k = 0.5500-0.0289 0.5307 ( 1690 PWs) bands (ev): 3.5708 3.5708 7.3099 7.3099 7.7879 7.7879 8.8824 8.8824 9.8628 9.8628 10.6410 10.6410 10.7459 10.7459 10.9335 10.9335 11.3296 11.3296 11.5170 11.5170 11.7600 11.7600 12.1961 12.1961 12.6770 12.6770 12.8602 12.8602 13.0411 13.0411 13.1669 13.1669 13.5291 13.5291 13.5763 13.5763 k = 0.5437-0.0253 0.5409 ( 1686 PWs) bands (ev): 3.5756 3.5756 7.3380 7.3380 7.7802 7.7802 8.8360 8.8360 9.8766 9.8766 10.6505 10.6505 10.7375 10.7375 10.9280 10.9280 11.3377 11.3377 11.5061 11.5061 11.7661 11.7661 12.2006 12.2006 12.6844 12.6844 12.8706 12.8706 13.0301 13.0301 13.1430 13.1430 13.5309 13.5309 13.5607 13.5607 k = 0.5375-0.0217 0.5511 ( 1686 PWs) bands (ev): 3.5803 3.5803 7.3682 7.3682 7.7686 7.7686 8.7939 8.7939 9.8881 9.8881 10.6597 10.6597 10.7294 10.7294 10.9232 10.9232 11.3458 11.3458 11.4953 11.4953 11.7719 11.7719 12.2047 12.2047 12.6919 12.6919 12.8799 12.8799 13.0202 13.0202 13.1201 13.1201 13.5316 13.5316 13.5479 13.5479 k = 0.5312-0.0180 0.5613 ( 1685 PWs) bands (ev): 3.5847 3.5847 7.4005 7.4005 7.7525 7.7525 8.7572 8.7572 9.8974 9.8974 10.6686 10.6686 10.7221 10.7221 10.9191 10.9191 11.3538 11.3538 11.4847 11.4847 11.7775 11.7775 12.2081 12.2081 12.6992 12.6992 12.8880 12.8880 13.0118 13.0118 13.0985 13.0985 13.5298 13.5298 13.5400 13.5400 k = 0.5250-0.0144 0.5715 ( 1684 PWs) bands (ev): 3.5887 3.5887 7.4348 7.4348 7.7314 7.7314 8.7266 8.7266 9.9046 9.9046 10.6766 10.6766 10.7155 10.7155 10.9158 10.9158 11.3615 11.3615 11.4746 11.4746 11.7825 11.7825 12.2110 12.2110 12.7060 12.7060 12.8944 12.8944 13.0058 13.0058 13.0785 13.0785 13.5247 13.5247 13.5373 13.5373 k = 0.5188-0.0108 0.5818 ( 1686 PWs) bands (ev): 3.5921 3.5921 7.4711 7.4711 7.7050 7.7050 8.7028 8.7028 9.9098 9.9098 10.6837 10.6837 10.7098 10.7098 10.9135 10.9135 11.3686 11.3686 11.4654 11.4654 11.7868 11.7868 12.2131 12.2131 12.7120 12.7120 12.8990 12.8990 13.0028 13.0028 13.0602 13.0602 13.5203 13.5203 13.5361 13.5361 k = 0.5125-0.0072 0.5920 ( 1688 PWs) bands (ev): 3.5947 3.5947 7.5091 7.5091 7.6735 7.6735 8.6860 8.6860 9.9132 9.9132 10.6897 10.6897 10.7049 10.7049 10.9120 10.9120 11.3746 11.3746 11.4578 11.4578 11.7900 11.7900 12.2145 12.2145 12.7167 12.7167 12.9018 12.9018 13.0035 13.0035 13.0438 13.0438 13.5180 13.5180 13.5347 13.5347 k = 0.5062-0.0036 0.6022 ( 1700 PWs) bands (ev): 3.5964 3.5964 7.5481 7.5481 7.6379 7.6379 8.6761 8.6761 9.9151 9.9151 10.6944 10.6944 10.7009 10.7009 10.9112 10.9112 11.3787 11.3787 11.4526 11.4526 11.7920 11.7920 12.2151 12.2151 12.7197 12.7197 12.9028 12.9028 13.0083 13.0083 13.0294 13.0294 13.5175 13.5175 13.5329 13.5329 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): 3.5970 3.5970 7.5772 7.5772 7.6097 7.6097 8.6729 8.6729 9.9156 9.9156 10.6976 10.6976 10.6978 10.6978 10.9109 10.9109 11.3801 11.3801 11.4506 11.4506 11.7926 11.7926 12.2153 12.2153 12.7208 12.7208 12.9029 12.9029 13.0162 13.0162 13.0183 13.0183 13.5180 13.5180 13.5317 13.5317 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): 3.5970 3.5970 7.5772 7.5772 7.6097 7.6097 8.6729 8.6729 9.9156 9.9156 10.6976 10.6976 10.6978 10.6978 10.9109 10.9109 11.3801 11.3801 11.4506 11.4506 11.7926 11.7926 12.2153 12.2153 12.7208 12.7208 12.9029 12.9029 13.0162 13.0162 13.0183 13.0183 13.5180 13.5180 13.5317 13.5317 k = 0.5000 0.0074 0.6019 ( 1700 PWs) bands (ev): 3.5960 3.5960 7.5752 7.5752 7.6085 7.6085 8.6778 8.6778 9.9143 9.9143 10.6972 10.6972 10.6984 10.6984 10.9118 10.9118 11.3808 11.3808 11.4514 11.4514 11.7907 11.7907 12.2138 12.2138 12.7207 12.7207 12.9023 12.9023 13.0167 13.0167 13.0232 13.0232 13.5192 13.5192 13.5325 13.5325 k = 0.5000 0.0148 0.5914 ( 1688 PWs) bands (ev): 3.5928 3.5928 7.5649 7.5649 7.6094 7.6094 8.6920 8.6920 9.9106 9.9106 10.6965 10.6965 10.6997 10.6997 10.9142 10.9142 11.3829 11.3829 11.4536 11.4536 11.7849 11.7849 12.2095 12.2095 12.7203 12.7203 12.9003 12.9003 13.0205 13.0205 13.0349 13.0349 13.5224 13.5224 13.5347 13.5347 k = 0.5000 0.0222 0.5810 ( 1686 PWs) bands (ev): 3.5876 3.5876 7.5424 7.5424 7.6172 7.6172 8.7145 8.7145 9.9045 9.9045 10.6954 10.6954 10.7014 10.7014 10.9183 10.9183 11.3861 11.3861 11.4573 11.4573 11.7752 11.7752 12.2027 12.2027 12.7196 12.7196 12.8972 12.8972 13.0268 13.0268 13.0527 13.0527 13.5270 13.5270 13.5387 13.5387 k = 0.5000 0.0296 0.5705 ( 1686 PWs) bands (ev): 3.5803 3.5803 7.5097 7.5097 7.6311 7.6311 8.7439 8.7439 9.8965 9.8965 10.6938 10.6938 10.7033 10.7033 10.9241 10.9241 11.3904 11.3904 11.4622 11.4622 11.7618 11.7618 12.1943 12.1943 12.7188 12.7188 12.8934 12.8934 13.0347 13.0347 13.0755 13.0755 13.5317 13.5317 13.5461 13.5461 k = 0.5000 0.0370 0.5600 ( 1682 PWs) bands (ev): 3.5712 3.5712 7.4695 7.4695 7.6499 7.6499 8.7784 8.7784 9.8870 9.8870 10.6918 10.6918 10.7053 10.7053 10.9318 10.9318 11.3957 11.3957 11.4686 11.4686 11.7448 11.7448 12.1850 12.1850 12.7184 12.7184 12.8893 12.8893 13.0436 13.0436 13.1017 13.1017 13.5351 13.5351 13.5589 13.5589 k = 0.5000 0.0444 0.5496 ( 1686 PWs) bands (ev): 3.5602 3.5602 7.4235 7.4235 7.6731 7.6731 8.8165 8.8165 9.8766 9.8766 10.6893 10.6893 10.7067 10.7067 10.9414 10.9414 11.4016 11.4016 11.4761 11.4761 11.7246 11.7246 12.1753 12.1753 12.7183 12.7183 12.8854 12.8854 13.0527 13.0527 13.1288 13.1288 13.5372 13.5372 13.5776 13.5776 k = 0.5000 0.0518 0.5391 ( 1686 PWs) bands (ev): 3.5475 3.5475 7.3732 7.3732 7.7003 7.7003 8.8566 8.8566 9.8660 9.8660 10.6865 10.6865 10.7076 10.7076 10.9529 10.9529 11.4082 11.4082 11.4846 11.4846 11.7017 11.7017 12.1657 12.1657 12.7188 12.7188 12.8820 12.8820 13.0618 13.0618 13.1551 13.1551 13.5380 13.5380 13.6032 13.6032 k = 0.5000 0.0592 0.5286 ( 1686 PWs) bands (ev): 3.5332 3.5332 7.3198 7.3198 7.7313 7.7313 8.8972 8.8972 9.8559 9.8559 10.6832 10.6832 10.7076 10.7076 10.9663 10.9663 11.4152 11.4152 11.4939 11.4939 11.6765 11.6765 12.1565 12.1565 12.7201 12.7201 12.8795 12.8795 13.0708 13.0708 13.1785 13.1785 13.5376 13.5376 13.6364 13.6364 k = 0.5000 0.0666 0.5182 ( 1686 PWs) bands (ev): 3.5175 3.5175 7.2643 7.2643 7.7658 7.7658 8.9371 8.9371 9.8472 9.8472 10.6795 10.6795 10.7068 10.7068 10.9813 10.9813 11.4225 11.4225 11.5034 11.5034 11.6500 11.6500 12.1476 12.1476 12.7222 12.7222 12.8779 12.8779 13.0793 13.0793 13.1978 13.1978 13.5359 13.5359 13.6778 13.6778 k = 0.5000 0.0740 0.5077 ( 1692 PWs) bands (ev): 3.5005 3.5005 7.2073 7.2073 7.8034 7.8034 8.9749 8.9749 9.8404 9.8404 10.6755 10.6755 10.7051 10.7051 10.9976 10.9976 11.4297 11.4297 11.5126 11.5126 11.6230 11.6230 12.1390 12.1390 12.7252 12.7252 12.8774 12.8774 13.0872 13.0872 13.2124 13.2124 13.5331 13.5331 13.7274 13.7274 k = 0.5000 0.0814 0.4972 ( 1692 PWs) bands (ev): 3.4825 3.4825 7.1496 7.1496 7.8441 7.8441 9.0097 9.0097 9.8367 9.8367 10.6712 10.6712 10.7027 10.7027 11.0149 11.0149 11.4367 11.4367 11.5201 11.5201 11.5979 11.5979 12.1305 12.1305 12.7294 12.7294 12.8782 12.8782 13.0946 13.0946 13.2224 13.2224 13.5294 13.5294 13.7847 13.7847 k = 0.5000 0.0888 0.4868 ( 1690 PWs) bands (ev): 3.4635 3.4635 7.0915 7.0915 7.8873 7.8873 9.0404 9.0404 9.8367 9.8367 10.6666 10.6666 10.6996 10.6996 11.0330 11.0330 11.4423 11.4423 11.5226 11.5226 11.5788 11.5788 12.1220 12.1220 12.7347 12.7347 12.8802 12.8802 13.1014 13.1014 13.2283 13.2283 13.5248 13.5248 13.8491 13.8491 k = 0.5000 0.0962 0.4763 ( 1688 PWs) bands (ev): 3.4437 3.4437 7.0337 7.0337 7.9330 7.9330 9.0663 9.0663 9.8410 9.8410 10.6618 10.6618 10.6959 10.6959 11.0515 11.0515 11.4443 11.4443 11.5163 11.5163 11.5721 11.5721 12.1132 12.1132 12.7413 12.7413 12.8834 12.8834 13.1077 13.1077 13.2307 13.2307 13.5195 13.5195 13.9194 13.9195 k = 0.5000 0.1036 0.4658 ( 1694 PWs) bands (ev): 3.4233 3.4233 6.9764 6.9764 7.9806 7.9806 9.0868 9.0868 9.8500 9.8500 10.6567 10.6567 10.6917 10.6917 11.0699 11.0699 11.4382 11.4382 11.5079 11.5079 11.5755 11.5755 12.1039 12.1039 12.7492 12.7492 12.8879 12.8879 13.1133 13.1133 13.2301 13.2301 13.5136 13.5136 13.9950 13.9950 k = 0.5000 0.1110 0.4554 ( 1698 PWs) bands (ev): 3.4025 3.4025 6.9199 6.9199 8.0301 8.0301 9.1017 9.1017 9.8642 9.8642 10.6514 10.6514 10.6872 10.6872 11.0879 11.0879 11.4214 11.4214 11.5066 11.5066 11.5828 11.5828 12.0941 12.0941 12.7586 12.7586 12.8934 12.8934 13.1182 13.1182 13.2272 13.2272 13.5072 13.5072 14.0753 14.0753 k = 0.5000 0.1184 0.4449 ( 1694 PWs) bands (ev): 3.3814 3.3814 6.8645 6.8645 8.0810 8.0810 9.1112 9.1112 9.8833 9.8833 10.6461 10.6461 10.6824 10.6824 11.1053 11.1053 11.3979 11.3979 11.5117 11.5117 11.5914 11.5914 12.0836 12.0836 12.7695 12.7695 12.9001 12.9001 13.1226 13.1226 13.2224 13.2224 13.5004 13.5004 14.1596 14.1596 k = 0.5000 0.1258 0.4344 ( 1692 PWs) bands (ev): 3.3601 3.3601 6.8103 6.8103 8.1330 8.1330 9.1155 9.1155 9.9069 9.9069 10.6408 10.6408 10.6773 10.6773 11.1215 11.1215 11.3715 11.3715 11.5198 11.5198 11.6005 11.6005 12.0723 12.0723 12.7818 12.7818 12.9076 12.9076 13.1263 13.1263 13.2160 13.2160 13.4934 13.4934 14.2475 14.2475 k = 0.5000 0.1332 0.4240 ( 1692 PWs) bands (ev): 3.3389 3.3389 6.7577 6.7577 8.1858 8.1858 9.1154 9.1154 9.9345 9.9345 10.6354 10.6354 10.6721 10.6721 11.1362 11.1362 11.3444 11.3444 11.5294 11.5294 11.6097 11.6097 12.0602 12.0602 12.7956 12.7956 12.9160 12.9160 13.1295 13.1295 13.2084 13.2084 13.4863 13.4863 14.3386 14.3386 k = 0.5000 0.1406 0.4135 ( 1688 PWs) bands (ev): 3.3177 3.3177 6.7067 6.7067 8.2391 8.2391 9.1115 9.1115 9.9655 9.9655 10.6303 10.6303 10.6669 10.6669 11.1488 11.1488 11.3175 11.3175 11.5400 11.5400 11.6193 11.6193 12.0473 12.0473 12.8107 12.8107 12.9251 12.9251 13.1320 13.1320 13.1999 13.1999 13.4792 13.4792 14.4328 14.4328 k = 0.5000 0.1480 0.4030 ( 1688 PWs) bands (ev): 3.2969 3.2969 6.6575 6.6575 8.2925 8.2925 9.1045 9.1045 9.9990 9.9990 10.6252 10.6252 10.6616 10.6616 11.1590 11.1590 11.2915 11.2915 11.5511 11.5511 11.6291 11.6291 12.0336 12.0336 12.8271 12.8271 12.9345 12.9345 13.1338 13.1338 13.1905 13.1905 13.4723 13.4723 14.5297 14.5297 k = 0.5000 0.1554 0.3925 ( 1692 PWs) bands (ev): 3.2764 3.2764 6.6102 6.6102 8.3457 8.3457 9.0952 9.0952 10.0346 10.0346 10.6203 10.6203 10.6564 10.6564 11.1660 11.1660 11.2668 11.2668 11.5626 11.5626 11.6393 11.6393 12.0191 12.0191 12.8446 12.8446 12.9443 12.9443 13.1350 13.1350 13.1805 13.1805 13.4656 13.4656 14.6292 14.6292 k = 0.5000 0.1628 0.3821 ( 1690 PWs) bands (ev): 3.2565 3.2565 6.5650 6.5650 8.3984 8.3984 9.0841 9.0841 10.0716 10.0716 10.6158 10.6158 10.6513 10.6513 11.1693 11.1693 11.2442 11.2442 11.5745 11.5745 11.6500 11.6500 12.0042 12.0042 12.8631 12.8631 12.9542 12.9542 13.1355 13.1355 13.1704 13.1704 13.4592 13.4592 14.7310 14.7310 k = 0.5000 0.1702 0.3716 ( 1692 PWs) bands (ev): 3.2371 3.2371 6.5219 6.5219 8.4502 8.4502 9.0718 9.0718 10.1096 10.1096 10.6117 10.6117 10.6462 10.6462 11.1678 11.1678 11.2243 11.2243 11.5867 11.5867 11.6611 11.6611 11.9888 11.9888 12.8824 12.8824 12.9639 12.9639 13.1352 13.1352 13.1602 13.1602 13.4533 13.4533 14.8350 14.8350 k = 0.5000 0.1776 0.3611 ( 1698 PWs) bands (ev): 3.2185 3.2185 6.4811 6.4811 8.5009 8.5009 9.0589 9.0589 10.1482 10.1482 10.6079 10.6079 10.6413 10.6413 11.1604 11.1604 11.2084 11.2084 11.5990 11.5990 11.6725 11.6725 11.9731 11.9731 12.9022 12.9022 12.9733 12.9733 13.1336 13.1336 13.1506 13.1506 13.4480 13.4480 14.9411 14.9411 k = 0.5000 0.1850 0.3507 ( 1698 PWs) bands (ev): 3.2006 3.2006 6.4425 6.4425 8.5500 8.5500 9.0456 9.0456 10.1871 10.1871 10.6047 10.6047 10.6366 10.6366 11.1476 11.1476 11.1961 11.1961 11.6117 11.6117 11.6843 11.6843 11.9572 11.9572 12.9225 12.9225 12.9822 12.9822 13.1295 13.1295 13.1433 13.1433 13.4432 13.4432 15.0491 15.0491 k = 0.5000 0.1925 0.3402 ( 1704 PWs) bands (ev): 3.1837 3.1837 6.4063 6.4063 8.5972 8.5972 9.0322 9.0322 10.2257 10.2257 10.6020 10.6020 10.6321 10.6321 11.1316 11.1316 11.1852 11.1852 11.6244 11.6244 11.6963 11.6963 11.9415 11.9415 12.9427 12.9427 12.9905 12.9905 13.1218 13.1218 13.1393 13.1393 13.4390 13.4390 15.1588 15.1588 k = 0.5000 0.1999 0.3297 ( 1696 PWs) bands (ev): 3.1677 3.1677 6.3726 6.3726 8.6424 8.6424 9.0192 9.0192 10.2642 10.2642 10.6002 10.6002 10.6280 10.6280 11.1146 11.1146 11.1740 11.1740 11.6371 11.6371 11.7084 11.7084 11.9262 11.9262 12.9627 12.9627 12.9981 12.9981 13.1128 13.1128 13.1373 13.1373 13.4356 13.4356 15.2699 15.2699 k = 0.5000 0.2073 0.3193 ( 1696 PWs) bands (ev): 3.1528 3.1528 6.3414 6.3414 8.6852 8.6852 9.0067 9.0067 10.3021 10.3021 10.5987 10.5987 10.6240 10.6240 11.0976 11.0976 11.1615 11.1615 11.6494 11.6494 11.7204 11.7204 11.9114 11.9114 12.9813 12.9813 13.0054 13.0054 13.1033 13.1033 13.1360 13.1360 13.4327 13.4327 15.3822 15.3822 k = 0.5000 0.2147 0.3088 ( 1698 PWs) bands (ev): 3.1389 3.1389 6.3128 6.3128 8.7250 8.7250 8.9947 8.9947 10.3391 10.3391 10.5980 10.5980 10.6204 10.6204 11.0811 11.0811 11.1475 11.1475 11.6610 11.6610 11.7321 11.7321 11.8974 11.8974 12.9965 12.9965 13.0140 13.0140 13.0942 13.0942 13.1352 13.1352 13.4305 13.4305 15.4952 15.4952 k = 0.5000 0.2221 0.2983 ( 1700 PWs) bands (ev): 3.1262 3.1262 6.2867 6.2867 8.7620 8.7620 8.9836 8.9836 10.3751 10.3751 10.5977 10.5977 10.6171 10.6171 11.0654 11.0654 11.1324 11.1324 11.6717 11.6717 11.7433 11.7433 11.8845 11.8845 13.0051 13.0051 13.0269 13.0269 13.0858 13.0858 13.1351 13.1351 13.4288 13.4288 15.6086 15.6086 k = 0.5000 0.2295 0.2879 ( 1694 PWs) bands (ev): 3.1148 3.1148 6.2633 6.2633 8.7956 8.7956 8.9734 8.9734 10.4096 10.4096 10.5982 10.5982 10.6143 10.6143 11.0507 11.0507 11.1164 11.1164 11.6814 11.6814 11.7540 11.7540 11.8729 11.8729 13.0089 13.0089 13.0419 13.0419 13.0783 13.0783 13.1357 13.1357 13.4277 13.4277 15.7215 15.7215 k = 0.5000 0.2369 0.2774 ( 1692 PWs) bands (ev): 3.1045 3.1045 6.2426 6.2426 8.8257 8.8257 8.9644 8.9644 10.4424 10.4424 10.5989 10.5989 10.6119 10.6119 11.0369 11.0369 11.1001 11.1001 11.6897 11.6897 11.7639 11.7639 11.8630 11.8630 13.0104 13.0104 13.0553 13.0553 13.0726 13.0726 13.1370 13.1370 13.4269 13.4269 15.8330 15.8330 k = 0.5000 0.2443 0.2669 ( 1696 PWs) bands (ev): 3.0956 3.0956 6.2246 6.2246 8.8519 8.8519 8.9565 8.9565 10.4729 10.4729 10.5998 10.5998 10.6099 10.6099 11.0239 11.0239 11.0839 11.0839 11.6964 11.6964 11.7728 11.7728 11.8547 11.8547 13.0103 13.0103 13.0609 13.0609 13.0740 13.0740 13.1390 13.1390 13.4265 13.4265 15.9417 15.9417 k = 0.5000 0.2517 0.2565 ( 1698 PWs) bands (ev): 3.0879 3.0879 6.2093 6.2093 8.8741 8.8741 8.9503 8.9503 10.5005 10.5005 10.6009 10.6009 10.6086 10.6086 11.0119 11.0119 11.0687 11.0687 11.7015 11.7015 11.7806 11.7806 11.8482 11.8482 13.0094 13.0094 13.0577 13.0577 13.0830 13.0830 13.1417 13.1417 13.4262 13.4262 16.0455 16.0455 k = 0.5000 0.2591 0.2460 ( 1698 PWs) bands (ev): 3.0817 3.0817 6.1967 6.1967 8.8916 8.8916 8.9458 8.9458 10.5245 10.5245 10.6021 10.6021 10.6080 10.6080 11.0010 11.0010 11.0553 11.0553 11.7051 11.7051 11.7872 11.7872 11.8434 11.8434 13.0081 13.0081 13.0540 13.0540 13.0912 13.0912 13.1448 13.1448 13.4261 13.4261 16.1418 16.1418 k = 0.5000 0.2665 0.2355 ( 1696 PWs) bands (ev): 3.0768 3.0768 6.1870 6.1870 8.9043 8.9043 8.9437 8.9437 10.5440 10.5440 10.6032 10.6032 10.6082 10.6082 10.9914 10.9914 11.0444 11.0444 11.7074 11.7074 11.7924 11.7924 11.8401 11.8401 13.0066 13.0066 13.0509 13.0509 13.0975 13.0975 13.1479 13.1479 13.4261 13.4261 16.2266 16.2266 k = 0.5000 0.2739 0.2251 ( 1694 PWs) bands (ev): 3.0732 3.0732 6.1800 6.1800 8.9117 8.9117 8.9438 8.9438 10.5580 10.5580 10.6043 10.6043 10.6092 10.6092 10.9837 10.9837 11.0363 11.0363 11.7088 11.7088 11.7962 11.7962 11.8381 11.8381 13.0054 13.0054 13.0486 13.0486 13.1018 13.1018 13.1506 13.1506 13.4261 13.4261 16.2944 16.2944 k = 0.5000 0.2813 0.2146 ( 1694 PWs) bands (ev): 3.0711 3.0711 6.1758 6.1758 8.9149 8.9149 8.9450 8.9450 10.5660 10.5660 10.6050 10.6050 10.6105 10.6105 10.9785 10.9785 11.0314 11.0314 11.7095 11.7095 11.7985 11.7985 11.8370 11.8370 13.0045 13.0045 13.0473 13.0473 13.1042 13.1042 13.1524 13.1524 13.4262 13.4262 16.3392 16.3392 k = 0.5000 0.2887 0.2041 ( 1694 PWs) bands (ev): 3.0704 3.0704 6.1744 6.1744 8.9157 8.9157 8.9457 8.9457 10.5685 10.5685 10.6053 10.6053 10.6112 10.6112 10.9767 10.9767 11.0298 11.0298 11.7097 11.7097 11.7992 11.7992 11.8367 11.8367 13.0043 13.0043 13.0468 13.0468 13.1050 13.1050 13.1530 13.1530 13.4262 13.4262 16.3549 16.3549 k = 0.5000 0.2887 0.2041 ( 1694 PWs) bands (ev): 3.0704 3.0704 6.1744 6.1744 8.9157 8.9157 8.9457 8.9457 10.5685 10.5685 10.6053 10.6053 10.6112 10.6112 10.9767 10.9767 11.0298 11.0298 11.7097 11.7097 11.7992 11.7992 11.8367 11.8367 13.0043 13.0043 13.0468 13.0468 13.1050 13.1050 13.1530 13.1530 13.4262 13.4262 16.3549 16.3549 k = 0.4963 0.2866 0.2161 ( 1694 PWs) bands (ev): 3.0711 3.0711 6.1757 6.1757 8.9149 8.9149 8.9450 8.9450 10.5660 10.5660 10.6050 10.6050 10.6105 10.6105 10.9785 10.9785 11.0314 11.0314 11.7095 11.7095 11.7985 11.7985 11.8370 11.8370 13.0045 13.0045 13.0473 13.0473 13.1043 13.1043 13.1524 13.1524 13.4262 13.4262 16.3394 16.3394 k = 0.4926 0.2844 0.2281 ( 1694 PWs) bands (ev): 3.0732 3.0732 6.1799 6.1799 8.9117 8.9117 8.9438 8.9438 10.5581 10.5581 10.6042 10.6042 10.6093 10.6093 10.9836 10.9836 11.0362 11.0362 11.7088 11.7088 11.7962 11.7962 11.8381 11.8381 13.0053 13.0053 13.0486 13.0486 13.1018 13.1018 13.1506 13.1506 13.4261 13.4261 16.2951 16.2951 k = 0.4890 0.2823 0.2401 ( 1695 PWs) bands (ev): 3.0767 3.0767 6.1868 6.1868 8.9045 8.9045 8.9437 8.9437 10.5444 10.5444 10.6026 10.6026 10.6088 10.6088 10.9912 10.9912 11.0442 11.0442 11.7075 11.7075 11.7925 11.7925 11.8400 11.8400 13.0066 13.0066 13.0508 13.0508 13.0976 13.0976 13.1480 13.1480 13.4261 13.4261 16.2276 16.2276 k = 0.4853 0.2802 0.2522 ( 1695 PWs) bands (ev): 3.0815 3.0815 6.1964 6.1964 8.8921 8.8921 8.9459 8.9459 10.5253 10.5253 10.6001 10.6001 10.6099 10.6099 11.0007 11.0007 11.0550 11.0550 11.7052 11.7052 11.7874 11.7874 11.8432 11.8432 13.0080 13.0080 13.0539 13.0539 13.0914 13.0914 13.1450 13.1450 13.4261 13.4261 16.1425 16.1425 k = 0.4816 0.2781 0.2642 ( 1697 PWs) bands (ev): 3.0877 3.0877 6.2088 6.2088 8.8747 8.8747 8.9503 8.9503 10.5016 10.5016 10.5970 10.5970 10.6123 10.6123 11.0115 11.0115 11.0682 11.0682 11.7016 11.7016 11.7810 11.7810 11.8478 11.8478 13.0093 13.0093 13.0575 13.0575 13.0831 13.0831 13.1421 13.1421 13.4261 13.4261 16.0445 16.0445 k = 0.4779 0.2759 0.2762 ( 1695 PWs) bands (ev): 3.0952 3.0952 6.2239 6.2239 8.8527 8.8527 8.9565 8.9565 10.4744 10.4744 10.5935 10.5935 10.6160 10.6160 11.0233 11.0233 11.0832 11.0832 11.6966 11.6966 11.7734 11.7734 11.8541 11.8541 13.0103 13.0103 13.0603 13.0603 13.0742 13.0742 13.1400 13.1400 13.4263 13.4263 15.9373 15.9373 k = 0.4743 0.2738 0.2882 ( 1694 PWs) bands (ev): 3.1041 3.1041 6.2417 6.2417 8.8265 8.8265 8.9644 8.9644 10.4443 10.4443 10.5896 10.5896 10.6209 10.6209 11.0360 11.0360 11.0991 11.0991 11.6901 11.6901 11.7649 11.7649 11.8619 11.8619 13.0102 13.0102 13.0545 13.0545 13.0725 13.0725 13.1389 13.1389 13.4265 13.4265 15.8237 15.8237 k = 0.4706 0.2717 0.3002 ( 1691 PWs) bands (ev): 3.1142 3.1142 6.2622 6.2622 8.7964 8.7964 8.9739 8.9739 10.4118 10.4118 10.5855 10.5855 10.6269 10.6269 11.0496 11.0496 11.1153 11.1153 11.6822 11.6822 11.7555 11.7555 11.8713 11.8713 13.0087 13.0087 13.0407 13.0407 13.0778 13.0778 13.1393 13.1393 13.4267 13.4267 15.7058 15.7058 k = 0.4669 0.2696 0.3122 ( 1691 PWs) bands (ev): 3.1255 3.1255 6.2853 6.2853 8.7626 8.7626 8.9846 8.9846 10.3775 10.3775 10.5813 10.5813 10.6341 10.6341 11.0640 11.0640 11.1310 11.1310 11.6730 11.6730 11.7454 11.7454 11.8821 11.8821 13.0044 13.0044 13.0253 13.0253 13.0848 13.0848 13.1413 13.1413 13.4271 13.4271 15.5854 15.5854 k = 0.4632 0.2674 0.3242 ( 1697 PWs) bands (ev): 3.1381 3.1381 6.3110 6.3110 8.7253 8.7253 8.9966 8.9966 10.3416 10.3416 10.5770 10.5770 10.6423 10.6423 11.0789 11.0789 11.1456 11.1456 11.6629 11.6629 11.7348 11.7348 11.8940 11.8940 12.9943 12.9943 13.0121 13.0121 13.0927 13.0927 13.1449 13.1449 13.4276 13.4276 15.4637 15.4637 k = 0.4596 0.2653 0.3362 ( 1701 PWs) bands (ev): 3.1517 3.1517 6.3392 6.3392 8.6846 8.6846 9.0097 9.0097 10.3043 10.3043 10.5727 10.5727 10.6520 10.6520 11.0945 11.0945 11.1590 11.1590 11.6522 11.6522 11.7237 11.7237 11.9067 11.9067 12.9774 12.9774 13.0029 13.0029 13.1013 13.1013 13.1502 13.1502 13.4281 13.4281 15.3419 15.3419 k = 0.4559 0.2632 0.3482 ( 1700 PWs) bands (ev): 3.1665 3.1665 6.3700 6.3700 8.6409 8.6409 9.0241 9.0241 10.2661 10.2661 10.5686 10.5686 10.6628 10.6628 11.1104 11.1104 11.1708 11.1708 11.6413 11.6413 11.7125 11.7125 11.9200 11.9200 12.9572 12.9572 12.9946 12.9946 13.1104 13.1104 13.1570 13.1570 13.4286 13.4286 15.2210 15.2210 k = 0.4522 0.2611 0.3602 ( 1704 PWs) bands (ev): 3.1822 3.1822 6.4033 6.4033 8.5943 8.5943 9.0395 9.0395 10.2269 10.2269 10.5647 10.5647 10.6747 10.6747 11.1260 11.1260 11.1810 11.1810 11.6303 11.6303 11.7012 11.7012 11.9337 11.9337 12.9358 12.9358 12.9853 12.9853 13.1200 13.1200 13.1653 13.1653 13.4291 13.4291 15.1016 15.1016 k = 0.4485 0.2590 0.3722 ( 1696 PWs) bands (ev): 3.1989 3.1989 6.4390 6.4390 8.5451 8.5451 9.0562 9.0562 10.1871 10.1871 10.5611 10.5611 10.6879 10.6879 11.1408 11.1408 11.1902 11.1902 11.6195 11.6195 11.6905 11.6905 11.9474 11.9474 12.9140 12.9140 12.9751 12.9751 13.1299 13.1299 13.1748 13.1748 13.4295 13.4295 14.9846 14.9846 k = 0.4449 0.2568 0.3842 ( 1694 PWs) bands (ev): 3.2165 3.2165 6.4770 6.4770 8.4936 8.4936 9.0738 9.0738 10.1466 10.1466 10.5577 10.5577 10.7021 10.7021 11.1528 11.1528 11.1998 11.1998 11.6086 11.6086 11.6805 11.6805 11.9609 11.9609 12.8923 12.8923 12.9638 12.9638 13.1399 13.1399 13.1853 13.1853 13.4298 13.4298 14.8703 14.8703 k = 0.4412 0.2547 0.3962 ( 1696 PWs) bands (ev): 3.2348 3.2348 6.5172 6.5172 8.4399 8.4399 9.0923 9.0923 10.1056 10.1056 10.5546 10.5546 10.7171 10.7171 11.1600 11.1600 11.2117 11.2117 11.5974 11.5974 11.6718 11.6718 11.9740 11.9740 12.8710 12.8710 12.9514 12.9514 13.1500 13.1500 13.1968 13.1968 13.4298 13.4298 14.7594 14.7594 k = 0.4375 0.2526 0.4082 ( 1697 PWs) bands (ev): 3.2539 3.2539 6.5597 6.5597 8.3844 8.3844 9.1118 9.1118 10.0642 10.0642 10.5520 10.5520 10.7329 10.7329 11.1614 11.1614 11.2268 11.2268 11.5856 11.5856 11.6649 11.6649 11.9865 11.9865 12.8505 12.8505 12.9381 12.9381 13.1599 13.1599 13.2091 13.2091 13.4295 13.4295 14.6524 14.6524 k = 0.4338 0.2505 0.4203 ( 1696 PWs) bands (ev): 3.2735 3.2735 6.6042 6.6042 8.3273 8.3273 9.1321 9.1321 10.0228 10.0228 10.5498 10.5498 10.7495 10.7495 11.1581 11.1581 11.2443 11.2443 11.5730 11.5730 11.6602 11.6602 11.9983 11.9983 12.8310 12.8310 12.9239 12.9239 13.1697 13.1697 13.2220 13.2220 13.4290 13.4290 14.5496 14.5496 k = 0.4301 0.2483 0.4323 ( 1696 PWs) bands (ev): 3.2935 3.2935 6.6506 6.6506 8.2689 8.2689 9.1532 9.1532 9.9813 9.9813 10.5480 10.5480 10.7663 10.7663 11.1510 11.1510 11.2632 11.2632 11.5594 11.5594 11.6576 11.6576 12.0092 12.0092 12.8129 12.8129 12.9090 12.9090 13.1792 13.1792 13.2356 13.2356 13.4282 13.4282 14.4513 14.4513 k = 0.4265 0.2462 0.4443 ( 1700 PWs) bands (ev): 3.3139 3.3139 6.6988 6.6988 8.2094 8.2094 9.1751 9.1751 9.9400 9.9400 10.5467 10.5467 10.7831 10.7831 11.1412 11.1412 11.2828 11.2828 11.5450 11.5450 11.6569 11.6569 12.0192 12.0192 12.7963 12.7963 12.8933 12.8933 13.1881 13.1881 13.2497 13.2497 13.4272 13.4272 14.3580 14.3580 k = 0.4228 0.2441 0.4563 ( 1698 PWs) bands (ev): 3.3345 3.3345 6.7485 6.7485 8.1494 8.1494 9.1977 9.1977 9.8991 9.8991 10.5459 10.5459 10.7999 10.7999 11.1295 11.1295 11.3025 11.3025 11.5303 11.5303 11.6578 11.6578 12.0283 12.0283 12.7814 12.7814 12.8771 12.8771 13.1962 13.1962 13.2644 13.2644 13.4259 13.4259 14.2700 14.2700 k = 0.4191 0.2420 0.4683 ( 1698 PWs) bands (ev): 3.3551 3.3551 6.7996 6.7996 8.0891 8.0891 9.2208 9.2208 9.8588 9.8588 10.5455 10.5455 10.8162 10.8162 11.1164 11.1164 11.3219 11.3219 11.5155 11.5155 11.6601 11.6601 12.0366 12.0366 12.7683 12.7683 12.8603 12.8603 13.2034 13.2034 13.2794 13.2794 13.4245 13.4245 14.1876 14.1876 k = 0.4154 0.2399 0.4803 ( 1694 PWs) bands (ev): 3.3756 3.3756 6.8517 6.8517 8.0290 8.0290 9.2445 9.2445 9.8192 9.8192 10.5457 10.5457 10.8317 10.8317 11.1024 11.1024 11.3402 11.3402 11.5016 11.5016 11.6634 11.6634 12.0440 12.0440 12.7572 12.7572 12.8431 12.8431 13.2093 13.2093 13.2947 13.2947 13.4230 13.4230 14.1110 14.1110 k = 0.4118 0.2377 0.4923 ( 1694 PWs) bands (ev): 3.3958 3.3958 6.9043 6.9043 7.9698 7.9698 9.2685 9.2685 9.7807 9.7807 10.5463 10.5463 10.8456 10.8456 11.0881 11.0881 11.3562 11.3562 11.4896 11.4896 11.6673 11.6673 12.0509 12.0509 12.7480 12.7480 12.8255 12.8255 13.2135 13.2135 13.3103 13.3103 13.4216 13.4216 14.0405 14.0405 k = 0.4081 0.2356 0.5043 ( 1690 PWs) bands (ev): 3.4155 3.4155 6.9569 6.9569 7.9122 7.9122 9.2929 9.2929 9.7434 9.7434 10.5474 10.5474 10.8576 10.8576 11.0739 11.0739 11.3681 11.3681 11.4816 11.4816 11.6717 11.6717 12.0574 12.0574 12.7407 12.7407 12.8076 12.8076 13.2158 13.2158 13.3261 13.3261 13.4207 13.4207 13.9763 13.9763 k = 0.4044 0.2335 0.5163 ( 1692 PWs) bands (ev): 3.4345 3.4345 7.0086 7.0086 7.8573 7.8573 9.3175 9.3175 9.7075 9.7075 10.5489 10.5489 10.8671 10.8671 11.0604 11.0604 11.3731 11.3731 11.4801 11.4801 11.6764 11.6764 12.0637 12.0637 12.7353 12.7353 12.7894 12.7894 13.2158 13.2158 13.3420 13.3420 13.4201 13.4201 13.9184 13.9184 k = 0.4007 0.2314 0.5283 ( 1690 PWs) bands (ev): 3.4526 3.4526 7.0582 7.0582 7.8064 7.8064 9.3423 9.3423 9.6733 9.6733 10.5509 10.5509 10.8734 10.8734 11.0480 11.0480 11.3702 11.3702 11.4863 11.4863 11.6814 11.6814 12.0703 12.0703 12.7316 12.7316 12.7711 12.7711 13.2134 13.2134 13.3579 13.3579 13.4202 13.4202 13.8672 13.8672 k = 0.3971 0.2292 0.5403 ( 1690 PWs) bands (ev): 3.4695 3.4695 7.1037 7.1037 7.7617 7.7617 9.3671 9.3671 9.6409 9.6409 10.5531 10.5531 10.8760 10.8760 11.0369 11.0369 11.3610 11.3610 11.4986 11.4986 11.6865 11.6865 12.0775 12.0775 12.7293 12.7293 12.7531 12.7531 13.2082 13.2082 13.3735 13.3735 13.4212 13.4212 13.8224 13.8224 k = 0.3934 0.2271 0.5523 ( 1686 PWs) bands (ev): 3.4851 3.4851 7.1424 7.1424 7.7261 7.7261 9.3918 9.3918 9.6108 9.6108 10.5556 10.5556 10.8746 10.8746 11.0275 11.0275 11.3480 11.3480 11.5144 11.5144 11.6919 11.6919 12.0857 12.0857 12.7252 12.7252 12.7382 12.7382 13.2006 13.2006 13.3887 13.3887 13.4231 13.4231 13.7839 13.7839 k = 0.3897 0.2250 0.5643 ( 1686 PWs) bands (ev): 3.4991 3.4991 7.1708 7.1708 7.7034 7.7034 9.4163 9.4163 9.5829 9.5829 10.5585 10.5585 10.8694 10.8694 11.0193 11.0193 11.3331 11.3331 11.5319 11.5319 11.6972 11.6972 12.0953 12.0953 12.7110 12.7110 12.7349 12.7349 13.1906 13.1906 13.4030 13.4030 13.4259 13.4259 13.7514 13.7514 k = 0.3860 0.2229 0.5764 ( 1684 PWs) bands (ev): 3.5112 3.5112 7.1854 7.1854 7.6971 7.6971 9.4406 9.4406 9.5576 9.5576 10.5615 10.5615 10.8605 10.8605 11.0118 11.0118 11.3173 11.3173 11.5500 11.5500 11.7025 11.7025 12.1067 12.1067 12.6926 12.6926 12.7370 12.7370 13.1788 13.1788 13.4157 13.4157 13.4296 13.4296 13.7246 13.7246 k = 0.3824 0.2208 0.5884 ( 1685 PWs) bands (ev): 3.5211 3.5211 7.1847 7.1847 7.7090 7.7090 9.4644 9.4644 9.5350 9.5350 10.5646 10.5646 10.8484 10.8484 11.0046 11.0046 11.3010 11.3010 11.5681 11.5681 11.7078 11.7078 12.1201 12.1201 12.6735 12.6735 12.7411 12.7411 13.1656 13.1656 13.4257 13.4257 13.4343 13.4343 13.7032 13.7032 k = 0.3787 0.2186 0.6004 ( 1682 PWs) bands (ev): 3.5286 3.5286 7.1703 7.1703 7.7378 7.7378 9.4877 9.4877 9.5153 9.5153 10.5678 10.5678 10.8339 10.8339 10.9972 10.9972 11.2850 11.2850 11.5857 11.5857 11.7129 11.7129 12.1358 12.1358 12.6543 12.6543 12.7465 12.7465 13.1517 13.1517 13.4323 13.4323 13.4393 13.4393 13.6865 13.6865 k = 0.3750 0.2165 0.6124 ( 1682 PWs) bands (ev): 3.5335 3.5335 7.1459 7.1459 7.7799 7.7799 9.4982 9.4982 9.5105 9.5105 10.5709 10.5709 10.8171 10.8171 10.9890 10.9890 11.2692 11.2692 11.6026 11.6026 11.7178 11.7178 12.1539 12.1539 12.6350 12.6350 12.7531 12.7531 13.1374 13.1374 13.4358 13.4358 13.4425 13.4425 13.6741 13.6741 k = 0.6250-0.0722 0.4082 ( 1682 PWs) bands (ev): 3.5335 3.5335 7.1459 7.1459 7.7799 7.7799 9.4982 9.4982 9.5105 9.5105 10.5709 10.5709 10.8171 10.8171 10.9890 10.9890 11.2692 11.2692 11.6026 11.6026 11.7178 11.7178 12.1539 12.1539 12.6350 12.6350 12.7531 12.7531 13.1374 13.1374 13.4358 13.4358 13.4425 13.4425 13.6741 13.6741 k = 0.6188-0.0830 0.4082 ( 1682 PWs) bands (ev): 3.5384 3.5384 7.0993 7.0993 7.8621 7.8621 9.4728 9.4728 9.5484 9.5484 10.5765 10.5765 10.7860 10.7860 10.9742 10.9742 11.2428 11.2428 11.6302 11.6302 11.7263 11.7263 12.1873 12.1873 12.6016 12.6016 12.7654 12.7654 13.1142 13.1142 13.4354 13.4354 13.4481 13.4481 13.6572 13.6572 k = 0.6125-0.0938 0.4082 ( 1680 PWs) bands (ev): 3.5416 3.5416 7.0548 7.0548 7.9471 7.9471 9.4480 9.4480 9.5866 9.5866 10.5829 10.5829 10.7532 10.7532 10.9587 10.9587 11.2167 11.2167 11.6568 11.6568 11.7360 11.7360 12.2214 12.2214 12.5667 12.5667 12.7780 12.7780 13.0925 13.0925 13.4336 13.4336 13.4539 13.4539 13.6418 13.6419 k = 0.6062-0.1046 0.4082 ( 1692 PWs) bands (ev): 3.5433 3.5433 7.0125 7.0125 8.0345 8.0345 9.4240 9.4240 9.6249 9.6249 10.5898 10.5898 10.7186 10.7186 10.9426 10.9426 11.1909 11.1909 11.6823 11.6823 11.7467 11.7467 12.2554 12.2554 12.5302 12.5302 12.7909 12.7909 13.0722 13.0722 13.4313 13.4313 13.4581 13.4581 13.5999 13.5999 k = 0.6000-0.1155 0.4082 ( 1692 PWs) bands (ev): 3.5437 3.5437 6.9724 6.9724 8.1236 8.1236 9.4009 9.4009 9.6632 9.6632 10.5974 10.5974 10.6822 10.6822 10.9266 10.9266 11.1654 11.1654 11.7065 11.7065 11.7593 11.7593 12.2894 12.2894 12.4929 12.4929 12.8038 12.8038 13.0536 13.0536 13.4282 13.4282 13.4608 13.4608 13.5506 13.5506 k = 0.5938-0.1263 0.4082 ( 1692 PWs) bands (ev): 3.5431 3.5431 6.9345 6.9345 8.2140 8.2140 9.3789 9.3789 9.7014 9.7014 10.6056 10.6056 10.6441 10.6441 10.9107 10.9107 11.1403 11.1403 11.7293 11.7293 11.7737 11.7737 12.3227 12.3227 12.4548 12.4548 12.8164 12.8164 13.0364 13.0364 13.4232 13.4232 13.4607 13.4607 13.5082 13.5082 k = 0.5875-0.1371 0.4082 ( 1692 PWs) bands (ev): 3.5416 3.5416 6.8990 6.8990 8.3052 8.3052 9.3580 9.3580 9.7391 9.7391 10.6042 10.6042 10.6146 10.6146 10.8951 10.8951 11.1156 11.1156 11.7504 11.7504 11.7897 11.7897 12.3540 12.3540 12.4173 12.4173 12.8285 12.8285 13.0205 13.0205 13.4123 13.4123 13.4541 13.4541 13.4803 13.4803 k = 0.5813-0.1479 0.4082 ( 1692 PWs) bands (ev): 3.5395 3.5395 6.8657 6.8657 8.3967 8.3967 9.3383 9.3383 9.7762 9.7762 10.5629 10.5629 10.6241 10.6241 10.8799 10.8799 11.0913 11.0913 11.7702 11.7702 11.8073 11.8073 12.3655 12.3655 12.3981 12.3981 12.8400 12.8400 13.0059 13.0059 13.3895 13.3895 13.4430 13.4430 13.4707 13.4707 k = 0.5750-0.1588 0.4082 ( 1688 PWs) bands (ev): 3.5368 3.5368 6.8348 6.8348 8.4879 8.4879 9.3200 9.3200 9.8124 9.8124 10.5201 10.5201 10.6343 10.6343 10.8658 10.8658 11.0674 11.0674 11.7889 11.7889 11.8257 11.8257 12.3320 12.3320 12.4229 12.4229 12.8507 12.8507 12.9925 12.9925 13.3589 13.3589 13.4368 13.4368 13.4663 13.4663 k = 0.5687-0.1696 0.4082 ( 1688 PWs) bands (ev): 3.5338 3.5338 6.8063 6.8063 8.5782 8.5782 9.3029 9.3029 9.8475 9.8475 10.4761 10.4761 10.6451 10.6451 10.8521 10.8521 11.0440 11.0440 11.8068 11.8068 11.8445 11.8445 12.2936 12.2936 12.4514 12.4514 12.8603 12.8603 12.9804 12.9804 13.3276 13.3276 13.4333 13.4333 13.4620 13.4620 k = 0.5625-0.1804 0.4082 ( 1694 PWs) bands (ev): 3.5306 3.5306 6.7802 6.7802 8.6670 8.6670 9.2871 9.2871 9.8812 9.8812 10.4310 10.4310 10.6565 10.6565 10.8390 10.8390 11.0211 11.0211 11.8241 11.8241 11.8630 11.8630 12.2554 12.2554 12.4788 12.4788 12.8687 12.8687 12.9695 12.9695 13.2980 13.2980 13.4310 13.4310 13.4574 13.4574 k = 0.5563-0.1912 0.4082 ( 1686 PWs) bands (ev): 3.5273 3.5273 6.7565 6.7565 8.7537 8.7537 9.2730 9.2730 9.9131 9.9131 10.3853 10.3853 10.6687 10.6687 10.8272 10.8272 10.9989 10.9989 11.8409 11.8409 11.8811 11.8811 12.2184 12.2184 12.5047 12.5047 12.8760 12.8760 12.9600 12.9600 13.2710 13.2710 13.4293 13.4293 13.4525 13.4525 k = 0.5500-0.2021 0.4082 ( 1690 PWs) bands (ev): 3.5240 3.5240 6.7353 6.7353 8.8370 8.8370 9.2606 9.2606 9.9429 9.9429 10.3391 10.3391 10.6812 10.6812 10.8164 10.8164 10.9771 10.9771 11.8570 11.8570 11.8984 11.8984 12.1831 12.1831 12.5284 12.5284 12.8818 12.8818 12.9519 12.9519 13.2468 13.2468 13.4279 13.4279 13.4474 13.4474 k = 0.5437-0.2129 0.4082 ( 1690 PWs) bands (ev): 3.5209 3.5209 6.7165 6.7165 8.9165 8.9165 9.2500 9.2500 9.9701 9.9701 10.2932 10.2932 10.6942 10.6942 10.8068 10.8068 10.9558 10.9558 11.8720 11.8720 11.9148 11.9148 12.1500 12.1500 12.5500 12.5500 12.8859 12.8859 12.9454 12.9454 13.2254 13.2254 13.4267 13.4267 13.4425 13.4425 k = 0.5375-0.2237 0.4082 ( 1690 PWs) bands (ev): 3.5181 3.5181 6.7002 6.7002 8.9905 8.9905 9.2418 9.2418 9.9943 9.9943 10.2486 10.2486 10.7075 10.7075 10.7983 10.7983 10.9352 10.9352 11.8859 11.8859 11.9299 11.9299 12.1196 12.1196 12.5691 12.5691 12.8884 12.8884 12.9406 12.9406 13.2069 13.2069 13.4258 13.4258 13.4379 13.4379 k = 0.5312-0.2345 0.4082 ( 1698 PWs) bands (ev): 3.5155 3.5155 6.6864 6.6864 9.0568 9.0568 9.2366 9.2366 10.0147 10.0147 10.2063 10.2063 10.7212 10.7212 10.7910 10.7910 10.9154 10.9154 11.8983 11.8983 11.9437 11.9437 12.0922 12.0922 12.5855 12.5855 12.8892 12.8892 12.9374 12.9374 13.1913 13.1913 13.4249 13.4249 13.4337 13.4337 k = 0.5250-0.2454 0.4082 ( 1698 PWs) bands (ev): 3.5134 3.5134 6.6750 6.6750 9.1122 9.1122 9.2365 9.2365 10.0306 10.0306 10.1684 10.1684 10.7350 10.7350 10.7850 10.7850 10.8966 10.8966 11.9091 11.9091 11.9561 11.9561 12.0683 12.0683 12.5992 12.5992 12.8889 12.8889 12.9357 12.9357 13.1785 13.1785 13.4243 13.4243 13.4301 13.4301 k = 0.5188-0.2562 0.4082 ( 1698 PWs) bands (ev): 3.5116 3.5116 6.6662 6.6662 9.1510 9.1510 9.2448 9.2448 10.0406 10.0406 10.1377 10.1377 10.7485 10.7485 10.7804 10.7804 10.8792 10.8792 11.9181 11.9181 11.9668 11.9668 12.0481 12.0481 12.6101 12.6101 12.8880 12.8880 12.9349 12.9349 13.1685 13.1685 13.4237 13.4237 13.4273 13.4273 k = 0.5125-0.2670 0.4082 ( 1698 PWs) bands (ev): 3.5104 3.5104 6.6599 6.6599 9.1705 9.1705 9.2618 9.2618 10.0433 10.0433 10.1177 10.1177 10.7609 10.7609 10.7771 10.7771 10.8639 10.8639 11.9250 11.9250 11.9757 11.9757 12.0320 12.0320 12.6179 12.6179 12.8869 12.8869 12.9347 12.9347 13.1614 13.1614 13.4233 13.4233 13.4252 13.4252 k = 0.5062-0.2778 0.4082 ( 1692 PWs) bands (ev): 3.5096 3.5096 6.6561 6.6561 9.1776 9.1776 9.2781 9.2781 10.0406 10.0406 10.1088 10.1088 10.7705 10.7705 10.7759 10.7759 10.8525 10.8525 11.9294 11.9294 11.9825 11.9825 12.0208 12.0208 12.6224 12.6224 12.8860 12.8860 12.9346 12.9346 13.1575 13.1575 13.4230 13.4230 13.4242 13.4242 k = 0.5000-0.2887 0.4082 ( 1692 PWs) bands (ev): 3.5094 3.5094 6.6549 6.6549 9.1792 9.1792 9.2844 9.2844 10.0386 10.0386 10.1066 10.1066 10.7734 10.7734 10.7761 10.7761 10.8481 10.8481 11.9309 11.9309 11.9853 11.9853 12.0164 12.0164 12.6239 12.6239 12.8858 12.8858 12.9346 12.9346 13.1561 13.1561 13.4228 13.4228 13.4239 13.4239 Writing output data file Fe3Ge.save init_run : 0.12s CPU 0.28s WALL ( 1 calls) electrons : 75.84s CPU 77.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 75.84s CPU 77.65s 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 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 366 calls) cegterg : 68.58s CPU 69.89s WALL ( 466 calls) Called by sum_band: Called by *egterg: h_psi : 32.86s CPU 33.91s WALL ( 7485 calls) s_psi : 2.54s CPU 2.58s WALL ( 7485 calls) g_psi : 0.09s CPU 0.08s WALL ( 6653 calls) cdiaghg : 33.45s CPU 33.84s WALL ( 7019 calls) cegterg:over : 1.95s CPU 2.11s WALL ( 6653 calls) cegterg:upda : 1.32s CPU 1.37s WALL ( 6653 calls) cegterg:last : 0.88s CPU 0.79s WALL ( 1269 calls) cdiaghg:chol : 1.60s CPU 1.69s WALL ( 7019 calls) cdiaghg:inve : 0.98s CPU 1.04s WALL ( 7019 calls) cdiaghg:para : 1.78s CPU 1.87s WALL ( 14038 calls) Called by h_psi: h_psi:vloc : 27.38s CPU 28.26s WALL ( 7485 calls) h_psi:vnl : 5.44s CPU 5.61s WALL ( 7485 calls) add_vuspsi : 3.06s CPU 3.10s WALL ( 7485 calls) General routines calbec : 2.37s CPU 2.48s WALL ( 7485 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 25.62s CPU 26.40s WALL ( 631620 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.13s WALL ( 732 calls) Parallel routines fft_scatter : 12.22s CPU 12.83s WALL ( 631643 calls) PWSCF : 1m24.90s CPU 1m36.59s WALL This run was terminated on: 18:15: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=