Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:16:57 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: ./AgBr.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 27 22 7 577 424 70 Max 28 23 8 580 436 73 Sum 1003 823 253 20827 15473 2565 bravais-lattice index = 14 lattice parameter (alat) = 7.7129 a.u. unit-cell volume = 324.4427 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.712900 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 Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Br 7.00 79.90400 Br( 1.00) Ag 11.00 107.86820 Ag( 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 0.0545454), 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 0.5441176), 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: 20827 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 15473 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 110, 26) NL pseudopotentials 0.04 Mb ( 55, 48) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 580) G-vector shells 0.00 Mb ( 172) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 110, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) The potential is recalculated from file : ./AgBr.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.1 secs Computing kpt #: 14 total cpu time spent up to now is 3.2 secs Computing kpt #: 15 total cpu time spent up to now is 3.4 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.8 secs Computing kpt #: 20 total cpu time spent up to now is 3.9 secs Computing kpt #: 21 total cpu time spent up to now is 4.0 secs Computing kpt #: 22 total cpu time spent up to now is 4.1 secs Computing kpt #: 23 total cpu time spent up to now is 4.2 secs Computing kpt #: 24 total cpu time spent up to now is 4.3 secs Computing kpt #: 25 total cpu time spent up to now is 4.4 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.8 secs Computing kpt #: 30 total cpu time spent up to now is 4.9 secs Computing kpt #: 31 total cpu time spent up to now is 5.0 secs Computing kpt #: 32 total cpu time spent up to now is 5.1 secs Computing kpt #: 33 total cpu time spent up to now is 5.2 secs Computing kpt #: 34 total cpu time spent up to now is 5.3 secs Computing kpt #: 35 total cpu time spent up to now is 5.4 secs Computing kpt #: 36 total cpu time spent up to now is 5.5 secs Computing kpt #: 37 total cpu time spent up to now is 5.6 secs Computing kpt #: 38 total cpu time spent up to now is 5.7 secs Computing kpt #: 39 total cpu time spent up to now is 5.8 secs Computing kpt #: 40 total cpu time spent up to now is 5.9 secs Computing kpt #: 41 total cpu time spent up to now is 6.0 secs Computing kpt #: 42 total cpu time spent up to now is 6.1 secs Computing kpt #: 43 total cpu time spent up to now is 6.2 secs Computing kpt #: 44 total cpu time spent up to now is 6.3 secs Computing kpt #: 45 total cpu time spent up to now is 6.4 secs Computing kpt #: 46 total cpu time spent up to now is 6.5 secs Computing kpt #: 47 total cpu time spent up to now is 6.6 secs Computing kpt #: 48 total cpu time spent up to now is 6.7 secs Computing kpt #: 49 total cpu time spent up to now is 6.8 secs Computing kpt #: 50 total cpu time spent up to now is 6.9 secs Computing kpt #: 51 total cpu time spent up to now is 7.0 secs Computing kpt #: 52 total cpu time spent up to now is 7.0 secs Computing kpt #: 53 total cpu time spent up to now is 7.1 secs Computing kpt #: 54 total cpu time spent up to now is 7.2 secs Computing kpt #: 55 total cpu time spent up to now is 7.3 secs Computing kpt #: 56 total cpu time spent up to now is 7.4 secs Computing kpt #: 57 total cpu time spent up to now is 7.5 secs Computing kpt #: 58 total cpu time spent up to now is 7.5 secs Computing kpt #: 59 total cpu time spent up to now is 7.6 secs Computing kpt #: 60 total cpu time spent up to now is 7.7 secs Computing kpt #: 61 total cpu time spent up to now is 7.8 secs Computing kpt #: 62 total cpu time spent up to now is 7.9 secs Computing kpt #: 63 total cpu time spent up to now is 8.0 secs Computing kpt #: 64 total cpu time spent up to now is 8.1 secs Computing kpt #: 65 total cpu time spent up to now is 8.2 secs Computing kpt #: 66 total cpu time spent up to now is 8.3 secs Computing kpt #: 67 total cpu time spent up to now is 8.3 secs Computing kpt #: 68 total cpu time spent up to now is 8.4 secs Computing kpt #: 69 total cpu time spent up to now is 8.5 secs Computing kpt #: 70 total cpu time spent up to now is 8.6 secs Computing kpt #: 71 total cpu time spent up to now is 8.7 secs Computing kpt #: 72 total cpu time spent up to now is 8.8 secs Computing kpt #: 73 total cpu time spent up to now is 8.8 secs Computing kpt #: 74 total cpu time spent up to now is 8.9 secs Computing kpt #: 75 total cpu time spent up to now is 9.0 secs Computing kpt #: 76 total cpu time spent up to now is 9.1 secs Computing kpt #: 77 total cpu time spent up to now is 9.2 secs Computing kpt #: 78 total cpu time spent up to now is 9.2 secs Computing kpt #: 79 total cpu time spent up to now is 9.3 secs Computing kpt #: 80 total cpu time spent up to now is 9.4 secs Computing kpt #: 81 total cpu time spent up to now is 9.5 secs Computing kpt #: 82 total cpu time spent up to now is 9.6 secs Computing kpt #: 83 total cpu time spent up to now is 9.7 secs Computing kpt #: 84 total cpu time spent up to now is 9.7 secs Computing kpt #: 85 total cpu time spent up to now is 9.8 secs Computing kpt #: 86 total cpu time spent up to now is 9.9 secs Computing kpt #: 87 total cpu time spent up to now is 10.0 secs Computing kpt #: 88 total cpu time spent up to now is 10.1 secs Computing kpt #: 89 total cpu time spent up to now is 10.1 secs Computing kpt #: 90 total cpu time spent up to now is 10.2 secs Computing kpt #: 91 total cpu time spent up to now is 10.3 secs Computing kpt #: 92 total cpu time spent up to now is 10.4 secs Computing kpt #: 93 total cpu time spent up to now is 10.5 secs Computing kpt #: 94 total cpu time spent up to now is 10.6 secs Computing kpt #: 95 total cpu time spent up to now is 10.6 secs Computing kpt #: 96 total cpu time spent up to now is 10.7 secs Computing kpt #: 97 total cpu time spent up to now is 10.8 secs Computing kpt #: 98 total cpu time spent up to now is 10.9 secs Computing kpt #: 99 total cpu time spent up to now is 11.0 secs Computing kpt #: 100 total cpu time spent up to now is 11.1 secs Computing kpt #: 101 total cpu time spent up to now is 11.2 secs Computing kpt #: 102 total cpu time spent up to now is 11.3 secs Computing kpt #: 103 total cpu time spent up to now is 11.3 secs Computing kpt #: 104 total cpu time spent up to now is 11.4 secs Computing kpt #: 105 total cpu time spent up to now is 11.5 secs Computing kpt #: 106 total cpu time spent up to now is 11.6 secs Computing kpt #: 107 total cpu time spent up to now is 11.7 secs Computing kpt #: 108 total cpu time spent up to now is 11.8 secs Computing kpt #: 109 total cpu time spent up to now is 11.9 secs Computing kpt #: 110 total cpu time spent up to now is 11.9 secs Computing kpt #: 111 total cpu time spent up to now is 12.0 secs Computing kpt #: 112 total cpu time spent up to now is 12.1 secs Computing kpt #: 113 total cpu time spent up to now is 12.2 secs Computing kpt #: 114 total cpu time spent up to now is 12.3 secs Computing kpt #: 115 total cpu time spent up to now is 12.4 secs Computing kpt #: 116 total cpu time spent up to now is 12.4 secs Computing kpt #: 117 total cpu time spent up to now is 12.5 secs Computing kpt #: 118 total cpu time spent up to now is 12.6 secs Computing kpt #: 119 total cpu time spent up to now is 12.7 secs Computing kpt #: 120 total cpu time spent up to now is 12.8 secs Computing kpt #: 121 total cpu time spent up to now is 12.9 secs Computing kpt #: 122 total cpu time spent up to now is 12.9 secs Computing kpt #: 123 total cpu time spent up to now is 13.0 secs Computing kpt #: 124 total cpu time spent up to now is 13.1 secs Computing kpt #: 125 total cpu time spent up to now is 13.2 secs Computing kpt #: 126 total cpu time spent up to now is 13.3 secs Computing kpt #: 127 total cpu time spent up to now is 13.3 secs Computing kpt #: 128 total cpu time spent up to now is 13.4 secs Computing kpt #: 129 total cpu time spent up to now is 13.5 secs Computing kpt #: 130 total cpu time spent up to now is 13.6 secs Computing kpt #: 131 total cpu time spent up to now is 13.7 secs Computing kpt #: 132 total cpu time spent up to now is 13.8 secs Computing kpt #: 133 total cpu time spent up to now is 13.8 secs Computing kpt #: 134 total cpu time spent up to now is 13.9 secs Computing kpt #: 135 total cpu time spent up to now is 14.0 secs Computing kpt #: 136 total cpu time spent up to now is 14.1 secs Computing kpt #: 137 total cpu time spent up to now is 14.2 secs Computing kpt #: 138 total cpu time spent up to now is 14.3 secs Computing kpt #: 139 total cpu time spent up to now is 14.3 secs Computing kpt #: 140 total cpu time spent up to now is 14.4 secs Computing kpt #: 141 total cpu time spent up to now is 14.5 secs Computing kpt #: 142 total cpu time spent up to now is 14.6 secs Computing kpt #: 143 total cpu time spent up to now is 14.7 secs Computing kpt #: 144 total cpu time spent up to now is 14.8 secs Computing kpt #: 145 total cpu time spent up to now is 14.9 secs Computing kpt #: 146 total cpu time spent up to now is 15.0 secs Computing kpt #: 147 total cpu time spent up to now is 15.1 secs Computing kpt #: 148 total cpu time spent up to now is 15.2 secs Computing kpt #: 149 total cpu time spent up to now is 15.3 secs Computing kpt #: 150 total cpu time spent up to now is 15.4 secs Computing kpt #: 151 total cpu time spent up to now is 15.5 secs Computing kpt #: 152 total cpu time spent up to now is 15.6 secs Computing kpt #: 153 total cpu time spent up to now is 15.7 secs Computing kpt #: 154 total cpu time spent up to now is 15.8 secs Computing kpt #: 155 total cpu time spent up to now is 15.9 secs Computing kpt #: 156 total cpu time spent up to now is 16.0 secs Computing kpt #: 157 total cpu time spent up to now is 16.1 secs Computing kpt #: 158 total cpu time spent up to now is 16.3 secs Computing kpt #: 159 total cpu time spent up to now is 16.4 secs Computing kpt #: 160 total cpu time spent up to now is 16.5 secs Computing kpt #: 161 total cpu time spent up to now is 16.6 secs Computing kpt #: 162 total cpu time spent up to now is 16.7 secs Computing kpt #: 163 total cpu time spent up to now is 16.8 secs Computing kpt #: 164 total cpu time spent up to now is 16.9 secs Computing kpt #: 165 total cpu time spent up to now is 17.0 secs Computing kpt #: 166 total cpu time spent up to now is 17.1 secs Computing kpt #: 167 total cpu time spent up to now is 17.2 secs Computing kpt #: 168 total cpu time spent up to now is 17.3 secs Computing kpt #: 169 total cpu time spent up to now is 17.4 secs Computing kpt #: 170 total cpu time spent up to now is 17.5 secs Computing kpt #: 171 total cpu time spent up to now is 17.6 secs Computing kpt #: 172 total cpu time spent up to now is 17.7 secs Computing kpt #: 173 total cpu time spent up to now is 17.8 secs Computing kpt #: 174 total cpu time spent up to now is 17.9 secs Computing kpt #: 175 total cpu time spent up to now is 18.0 secs Computing kpt #: 176 total cpu time spent up to now is 18.1 secs Computing kpt #: 177 total cpu time spent up to now is 18.2 secs Computing kpt #: 178 total cpu time spent up to now is 18.3 secs Computing kpt #: 179 total cpu time spent up to now is 18.4 secs Computing kpt #: 180 total cpu time spent up to now is 18.5 secs Computing kpt #: 181 total cpu time spent up to now is 18.6 secs Computing kpt #: 182 total cpu time spent up to now is 18.7 secs Computing kpt #: 183 total cpu time spent up to now is 18.8 secs Computing kpt #: 184 total cpu time spent up to now is 18.9 secs Computing kpt #: 185 total cpu time spent up to now is 19.0 secs Computing kpt #: 186 total cpu time spent up to now is 19.1 secs Computing kpt #: 187 total cpu time spent up to now is 19.1 secs Computing kpt #: 188 total cpu time spent up to now is 19.2 secs Computing kpt #: 189 total cpu time spent up to now is 19.3 secs Computing kpt #: 190 total cpu time spent up to now is 19.4 secs Computing kpt #: 191 total cpu time spent up to now is 19.5 secs Computing kpt #: 192 total cpu time spent up to now is 19.6 secs Computing kpt #: 193 total cpu time spent up to now is 19.7 secs Computing kpt #: 194 total cpu time spent up to now is 19.8 secs Computing kpt #: 195 total cpu time spent up to now is 19.9 secs Computing kpt #: 196 total cpu time spent up to now is 19.9 secs Computing kpt #: 197 total cpu time spent up to now is 20.0 secs Computing kpt #: 198 total cpu time spent up to now is 20.1 secs Computing kpt #: 199 total cpu time spent up to now is 20.2 secs Computing kpt #: 200 total cpu time spent up to now is 20.3 secs Computing kpt #: 201 total cpu time spent up to now is 20.4 secs Computing kpt #: 202 total cpu time spent up to now is 20.5 secs Computing kpt #: 203 total cpu time spent up to now is 20.5 secs Computing kpt #: 204 total cpu time spent up to now is 20.6 secs Computing kpt #: 205 total cpu time spent up to now is 20.7 secs Computing kpt #: 206 total cpu time spent up to now is 20.8 secs Computing kpt #: 207 total cpu time spent up to now is 20.9 secs Computing kpt #: 208 total cpu time spent up to now is 21.0 secs Computing kpt #: 209 total cpu time spent up to now is 21.0 secs Computing kpt #: 210 total cpu time spent up to now is 21.1 secs Computing kpt #: 211 total cpu time spent up to now is 21.2 secs Computing kpt #: 212 total cpu time spent up to now is 21.3 secs Computing kpt #: 213 total cpu time spent up to now is 21.4 secs Computing kpt #: 214 total cpu time spent up to now is 21.5 secs Computing kpt #: 215 total cpu time spent up to now is 21.5 secs Computing kpt #: 216 total cpu time spent up to now is 21.6 secs Computing kpt #: 217 total cpu time spent up to now is 21.7 secs Computing kpt #: 218 total cpu time spent up to now is 21.8 secs Computing kpt #: 219 total cpu time spent up to now is 21.9 secs Computing kpt #: 220 total cpu time spent up to now is 22.0 secs Computing kpt #: 221 total cpu time spent up to now is 22.0 secs Computing kpt #: 222 total cpu time spent up to now is 22.1 secs Computing kpt #: 223 total cpu time spent up to now is 22.2 secs Computing kpt #: 224 total cpu time spent up to now is 22.3 secs Computing kpt #: 225 total cpu time spent up to now is 22.4 secs Computing kpt #: 226 total cpu time spent up to now is 22.5 secs Computing kpt #: 227 total cpu time spent up to now is 22.5 secs Computing kpt #: 228 total cpu time spent up to now is 22.6 secs Computing kpt #: 229 total cpu time spent up to now is 22.7 secs Computing kpt #: 230 total cpu time spent up to now is 22.8 secs Computing kpt #: 231 total cpu time spent up to now is 22.9 secs Computing kpt #: 232 total cpu time spent up to now is 23.0 secs Computing kpt #: 233 total cpu time spent up to now is 23.1 secs Computing kpt #: 234 total cpu time spent up to now is 23.2 secs Computing kpt #: 235 total cpu time spent up to now is 23.3 secs Computing kpt #: 236 total cpu time spent up to now is 23.3 secs Computing kpt #: 237 total cpu time spent up to now is 23.4 secs Computing kpt #: 238 total cpu time spent up to now is 23.5 secs Computing kpt #: 239 total cpu time spent up to now is 23.6 secs Computing kpt #: 240 total cpu time spent up to now is 23.7 secs Computing kpt #: 241 total cpu time spent up to now is 23.8 secs Computing kpt #: 242 total cpu time spent up to now is 23.9 secs Computing kpt #: 243 total cpu time spent up to now is 24.0 secs Computing kpt #: 244 total cpu time spent up to now is 24.1 secs Computing kpt #: 245 total cpu time spent up to now is 24.1 secs Computing kpt #: 246 total cpu time spent up to now is 24.2 secs Computing kpt #: 247 total cpu time spent up to now is 24.3 secs Computing kpt #: 248 total cpu time spent up to now is 24.4 secs Computing kpt #: 249 total cpu time spent up to now is 24.5 secs Computing kpt #: 250 total cpu time spent up to now is 24.6 secs Computing kpt #: 251 total cpu time spent up to now is 24.7 secs Computing kpt #: 252 total cpu time spent up to now is 24.7 secs Computing kpt #: 253 total cpu time spent up to now is 24.8 secs Computing kpt #: 254 total cpu time spent up to now is 24.9 secs Computing kpt #: 255 total cpu time spent up to now is 25.0 secs Computing kpt #: 256 total cpu time spent up to now is 25.1 secs Computing kpt #: 257 total cpu time spent up to now is 25.2 secs Computing kpt #: 258 total cpu time spent up to now is 25.3 secs Computing kpt #: 259 total cpu time spent up to now is 25.4 secs Computing kpt #: 260 total cpu time spent up to now is 25.4 secs Computing kpt #: 261 total cpu time spent up to now is 25.5 secs Computing kpt #: 262 total cpu time spent up to now is 25.6 secs Computing kpt #: 263 total cpu time spent up to now is 25.7 secs Computing kpt #: 264 total cpu time spent up to now is 25.8 secs Computing kpt #: 265 total cpu time spent up to now is 25.9 secs Computing kpt #: 266 total cpu time spent up to now is 25.9 secs Computing kpt #: 267 total cpu time spent up to now is 26.0 secs Computing kpt #: 268 total cpu time spent up to now is 26.1 secs Computing kpt #: 269 total cpu time spent up to now is 26.2 secs Computing kpt #: 270 total cpu time spent up to now is 26.3 secs Computing kpt #: 271 total cpu time spent up to now is 26.3 secs Computing kpt #: 272 total cpu time spent up to now is 26.4 secs Computing kpt #: 273 total cpu time spent up to now is 26.5 secs Computing kpt #: 274 total cpu time spent up to now is 26.6 secs Computing kpt #: 275 total cpu time spent up to now is 26.7 secs Computing kpt #: 276 total cpu time spent up to now is 26.7 secs Computing kpt #: 277 total cpu time spent up to now is 26.8 secs Computing kpt #: 278 total cpu time spent up to now is 26.9 secs Computing kpt #: 279 total cpu time spent up to now is 27.0 secs Computing kpt #: 280 total cpu time spent up to now is 27.1 secs Computing kpt #: 281 total cpu time spent up to now is 27.2 secs Computing kpt #: 282 total cpu time spent up to now is 27.3 secs Computing kpt #: 283 total cpu time spent up to now is 27.3 secs Computing kpt #: 284 total cpu time spent up to now is 27.4 secs Computing kpt #: 285 total cpu time spent up to now is 27.5 secs Computing kpt #: 286 total cpu time spent up to now is 27.6 secs Computing kpt #: 287 total cpu time spent up to now is 27.7 secs Computing kpt #: 288 total cpu time spent up to now is 27.8 secs Computing kpt #: 289 total cpu time spent up to now is 27.9 secs Computing kpt #: 290 total cpu time spent up to now is 27.9 secs Computing kpt #: 291 total cpu time spent up to now is 28.0 secs Computing kpt #: 292 total cpu time spent up to now is 28.1 secs Computing kpt #: 293 total cpu time spent up to now is 28.2 secs Computing kpt #: 294 total cpu time spent up to now is 28.3 secs Computing kpt #: 295 total cpu time spent up to now is 28.4 secs Computing kpt #: 296 total cpu time spent up to now is 28.5 secs Computing kpt #: 297 total cpu time spent up to now is 28.5 secs Computing kpt #: 298 total cpu time spent up to now is 28.6 secs Computing kpt #: 299 total cpu time spent up to now is 28.7 secs Computing kpt #: 300 total cpu time spent up to now is 28.8 secs Computing kpt #: 301 total cpu time spent up to now is 28.9 secs Computing kpt #: 302 total cpu time spent up to now is 29.0 secs Computing kpt #: 303 total cpu time spent up to now is 29.0 secs Computing kpt #: 304 total cpu time spent up to now is 29.1 secs Computing kpt #: 305 total cpu time spent up to now is 29.2 secs Computing kpt #: 306 total cpu time spent up to now is 29.3 secs Computing kpt #: 307 total cpu time spent up to now is 29.4 secs Computing kpt #: 308 total cpu time spent up to now is 29.5 secs Computing kpt #: 309 total cpu time spent up to now is 29.5 secs Computing kpt #: 310 total cpu time spent up to now is 29.6 secs Computing kpt #: 311 total cpu time spent up to now is 29.7 secs Computing kpt #: 312 total cpu time spent up to now is 29.8 secs Computing kpt #: 313 total cpu time spent up to now is 29.9 secs Computing kpt #: 314 total cpu time spent up to now is 30.0 secs Computing kpt #: 315 total cpu time spent up to now is 30.0 secs Computing kpt #: 316 total cpu time spent up to now is 30.1 secs Computing kpt #: 317 total cpu time spent up to now is 30.2 secs Computing kpt #: 318 total cpu time spent up to now is 30.3 secs Computing kpt #: 319 total cpu time spent up to now is 30.4 secs Computing kpt #: 320 total cpu time spent up to now is 30.5 secs Computing kpt #: 321 total cpu time spent up to now is 30.5 secs Computing kpt #: 322 total cpu time spent up to now is 30.6 secs Computing kpt #: 323 total cpu time spent up to now is 30.7 secs Computing kpt #: 324 total cpu time spent up to now is 30.8 secs Computing kpt #: 325 total cpu time spent up to now is 30.9 secs Computing kpt #: 326 total cpu time spent up to now is 31.0 secs Computing kpt #: 327 total cpu time spent up to now is 31.1 secs Computing kpt #: 328 total cpu time spent up to now is 31.1 secs Computing kpt #: 329 total cpu time spent up to now is 31.2 secs Computing kpt #: 330 total cpu time spent up to now is 31.3 secs Computing kpt #: 331 total cpu time spent up to now is 31.4 secs Computing kpt #: 332 total cpu time spent up to now is 31.5 secs Computing kpt #: 333 total cpu time spent up to now is 31.6 secs Computing kpt #: 334 total cpu time spent up to now is 31.7 secs Computing kpt #: 335 total cpu time spent up to now is 31.8 secs Computing kpt #: 336 total cpu time spent up to now is 31.8 secs Computing kpt #: 337 total cpu time spent up to now is 31.9 secs Computing kpt #: 338 total cpu time spent up to now is 32.0 secs Computing kpt #: 339 total cpu time spent up to now is 32.1 secs Computing kpt #: 340 total cpu time spent up to now is 32.2 secs Computing kpt #: 341 total cpu time spent up to now is 32.3 secs Computing kpt #: 342 total cpu time spent up to now is 32.4 secs Computing kpt #: 343 total cpu time spent up to now is 32.5 secs Computing kpt #: 344 total cpu time spent up to now is 32.5 secs Computing kpt #: 345 total cpu time spent up to now is 32.6 secs Computing kpt #: 346 total cpu time spent up to now is 32.7 secs Computing kpt #: 347 total cpu time spent up to now is 32.8 secs Computing kpt #: 348 total cpu time spent up to now is 32.9 secs Computing kpt #: 349 total cpu time spent up to now is 33.0 secs Computing kpt #: 350 total cpu time spent up to now is 33.1 secs Computing kpt #: 351 total cpu time spent up to now is 33.2 secs Computing kpt #: 352 total cpu time spent up to now is 33.3 secs Computing kpt #: 353 total cpu time spent up to now is 33.4 secs Computing kpt #: 354 total cpu time spent up to now is 33.5 secs Computing kpt #: 355 total cpu time spent up to now is 33.6 secs Computing kpt #: 356 total cpu time spent up to now is 33.7 secs Computing kpt #: 357 total cpu time spent up to now is 33.8 secs Computing kpt #: 358 total cpu time spent up to now is 33.9 secs Computing kpt #: 359 total cpu time spent up to now is 34.0 secs Computing kpt #: 360 total cpu time spent up to now is 34.1 secs Computing kpt #: 361 total cpu time spent up to now is 34.2 secs Computing kpt #: 362 total cpu time spent up to now is 34.3 secs Computing kpt #: 363 total cpu time spent up to now is 34.4 secs Computing kpt #: 364 total cpu time spent up to now is 34.5 secs Computing kpt #: 365 total cpu time spent up to now is 34.6 secs Computing kpt #: 366 total cpu time spent up to now is 34.7 secs ethr = 5.56E-08, avg # of iterations = 11.6 total cpu time spent up to now is 34.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -8.6422 -8.6422 3.3130 3.3130 3.3130 3.3130 3.8439 3.8439 3.8439 3.8439 3.8447 3.8447 4.0941 4.0941 4.6441 4.6441 4.6441 4.6441 7.0033 7.0033 16.2439 16.2439 16.2439 16.2439 16.3152 16.3152 k = 0.0091-0.0052 0.0074 ( 1917 PWs) bands (ev): -8.6418 -8.6418 3.3108 3.3108 3.3129 3.3129 3.8305 3.8305 3.8436 3.8436 3.8441 3.8441 4.1042 4.1042 4.6447 4.6447 4.6448 4.6448 7.0111 7.0111 16.2344 16.2344 16.2381 16.2381 16.3086 16.3086 k = 0.0182-0.0105 0.0148 ( 1917 PWs) bands (ev): -8.6405 -8.6405 3.3039 3.3039 3.3126 3.3126 3.7959 3.7959 3.8413 3.8413 3.8438 3.8438 4.1292 4.1292 4.6466 4.6466 4.6469 4.6469 7.0345 7.0345 16.2050 16.2050 16.2212 16.2212 16.2913 16.2913 k = 0.0273-0.0157 0.0223 ( 1917 PWs) bands (ev): -8.6384 -8.6384 3.2920 3.2920 3.3120 3.3120 3.7491 3.7491 3.8373 3.8373 3.8436 3.8436 4.1607 4.1607 4.6497 4.6497 4.6503 4.6503 7.0731 7.0731 16.1558 16.1558 16.1943 16.1943 16.2677 16.2677 k = 0.0364-0.0210 0.0297 ( 1929 PWs) bands (ev): -8.6354 -8.6354 3.2741 3.2741 3.3112 3.3112 3.6969 3.6969 3.8317 3.8317 3.8433 3.8433 4.1936 4.1936 4.6540 4.6540 4.6549 4.6549 7.1261 7.1261 16.0903 16.0903 16.1590 16.1590 16.2399 16.2399 k = 0.0455-0.0262 0.0371 ( 1929 PWs) bands (ev): -8.6316 -8.6316 3.2496 3.2496 3.3103 3.3103 3.6438 3.6438 3.8248 3.8248 3.8429 3.8429 4.2255 4.2255 4.6592 4.6592 4.6606 4.6606 7.1926 7.1926 16.0134 16.0134 16.1170 16.1170 16.2087 16.2087 k = 0.0545-0.0315 0.0445 ( 1929 PWs) bands (ev): -8.6271 -8.6271 3.2172 3.2172 3.3091 3.3091 3.5929 3.5929 3.8168 3.8168 3.8425 3.8425 4.2551 4.2551 4.6652 4.6652 4.6673 4.6673 7.2717 7.2717 15.9289 15.9289 16.0698 16.0698 16.1745 16.1745 k = 0.0636-0.0367 0.0520 ( 1933 PWs) bands (ev): -8.6217 -8.6217 3.1760 3.1760 3.3076 3.3076 3.5466 3.5466 3.8076 3.8076 3.8420 3.8420 4.2822 4.2822 4.6720 4.6720 4.6746 4.6746 7.3621 7.3621 15.8396 15.8396 16.0181 16.0181 16.1383 16.1383 k = 0.0727-0.0420 0.0594 ( 1933 PWs) bands (ev): -8.6155 -8.6155 3.1260 3.1260 3.3060 3.3060 3.5062 3.5062 3.7976 3.7976 3.8415 3.8415 4.3066 4.3066 4.6794 4.6794 4.6824 4.6824 7.4627 7.4627 15.7477 15.7477 15.9612 15.9612 16.1010 16.1010 k = 0.0818-0.0472 0.0668 ( 1933 PWs) bands (ev): -8.6087 -8.6087 3.0680 3.0680 3.3042 3.3042 3.4717 3.4717 3.7869 3.7869 3.8409 3.8409 4.3284 4.3284 4.6872 4.6872 4.6906 4.6906 7.5724 7.5724 15.6546 15.6546 15.8950 15.8950 16.0636 16.0636 k = 0.0909-0.0525 0.0742 ( 1933 PWs) bands (ev): -8.6011 -8.6011 3.0040 3.0040 3.3021 3.3021 3.4424 3.4424 3.7755 3.7755 3.8402 3.8402 4.3477 4.3477 4.6955 4.6955 4.6989 4.6989 7.6898 7.6898 15.5610 15.5610 15.8039 15.8039 16.0270 16.0270 k = 0.1000-0.0577 0.0816 ( 1941 PWs) bands (ev): -8.5928 -8.5928 2.9352 2.9352 3.2999 3.2999 3.4171 3.4171 3.7638 3.7638 3.8397 3.8397 4.3646 4.3646 4.7038 4.7038 4.7072 4.7072 7.8139 7.8139 15.4680 15.4680 15.6570 15.6570 15.9583 15.9583 k = 0.1091-0.0630 0.0891 ( 1941 PWs) bands (ev): -8.5838 -8.5838 2.8638 2.8638 3.2975 3.2975 3.3949 3.3949 3.7518 3.7518 3.8391 3.8391 4.3793 4.3793 4.7124 4.7124 4.7151 4.7151 7.9435 7.9435 15.3758 15.3758 15.4578 15.4578 15.8751 15.8751 k = 0.1182-0.0682 0.0965 ( 1941 PWs) bands (ev): -8.5743 -8.5743 2.7912 2.7912 3.2950 3.2950 3.3750 3.3750 3.7397 3.7397 3.8386 3.8386 4.3919 4.3919 4.7211 4.7211 4.7227 4.7227 8.0774 8.0774 15.2382 15.2382 15.2850 15.2850 15.8187 15.8187 k = 0.1273-0.0735 0.1039 ( 1949 PWs) bands (ev): -8.5642 -8.5642 2.7182 2.7182 3.2923 3.2923 3.3567 3.3567 3.7275 3.7275 3.8381 3.8381 4.4024 4.4024 4.7295 4.7295 4.7298 4.7298 8.2145 8.2145 15.0143 15.0143 15.1957 15.1957 15.7742 15.7742 k = 0.1364-0.0787 0.1113 ( 1945 PWs) bands (ev): -8.5535 -8.5535 2.6460 2.6460 3.2896 3.2896 3.3400 3.3400 3.7155 3.7155 3.8377 3.8377 4.4111 4.4111 4.7357 4.7357 4.7384 4.7384 8.3536 8.3536 14.7921 14.7921 15.1083 15.1083 15.7374 15.7374 k = 0.1455-0.0840 0.1188 ( 1944 PWs) bands (ev): -8.5424 -8.5424 2.5750 2.5750 3.2868 3.2868 3.3245 3.3245 3.7037 3.7037 3.8374 3.8374 4.4178 4.4178 4.7409 4.7409 4.7468 4.7468 8.4936 8.4936 14.5744 14.5744 15.0228 15.0228 15.7066 15.7066 k = 0.1545-0.0892 0.1262 ( 1944 PWs) bands (ev): -8.5308 -8.5308 2.5059 2.5059 3.2839 3.2839 3.3099 3.3099 3.6921 3.6921 3.8371 3.8371 4.4227 4.4227 4.7451 4.7451 4.7550 4.7550 8.6329 8.6329 14.3632 14.3632 14.9393 14.9393 15.6812 15.6812 k = 0.1636-0.0945 0.1336 ( 1952 PWs) bands (ev): -8.5188 -8.5188 2.4391 2.4391 3.2808 3.2808 3.2963 3.2963 3.6808 3.6808 3.8369 3.8369 4.4258 4.4258 4.7481 4.7481 4.7627 4.7627 8.7703 8.7703 14.1601 14.1601 14.8579 14.8579 15.6607 15.6607 k = 0.1727-0.0997 0.1410 ( 1952 PWs) bands (ev): -8.5065 -8.5065 2.3749 2.3749 3.2779 3.2779 3.2837 3.2837 3.6699 3.6699 3.8368 3.8368 4.4272 4.4272 4.7499 4.7499 4.7699 4.7699 8.9040 8.9040 13.9669 13.9669 14.7788 14.7788 15.6454 15.6454 k = 0.1818-0.1050 0.1485 ( 1952 PWs) bands (ev): -8.4938 -8.4938 2.3137 2.3137 3.2721 3.2721 3.2750 3.2750 3.6596 3.6596 3.8369 3.8369 4.4270 4.4270 4.7504 4.7504 4.7765 4.7765 9.0323 9.0323 13.7852 13.7852 14.7020 14.7020 15.6352 15.6352 k = 0.1909-0.1102 0.1559 ( 1952 PWs) bands (ev): -8.4809 -8.4809 2.2556 2.2556 3.2613 3.2613 3.2721 3.2721 3.6497 3.6497 3.8371 3.8371 4.4250 4.4250 4.7494 4.7494 4.7823 4.7823 9.1531 9.1531 13.6172 13.6172 14.6276 14.6276 15.6300 15.6300 k = 0.2000-0.1155 0.1633 ( 1956 PWs) bands (ev): -8.4678 -8.4678 2.2009 2.2009 3.2515 3.2515 3.2693 3.2693 3.6403 3.6403 3.8373 3.8373 4.4213 4.4213 4.7470 4.7470 4.7873 4.7873 9.2640 9.2640 13.4649 13.4649 14.5554 14.5554 15.6298 15.6298 k = 0.2091-0.1207 0.1707 ( 1948 PWs) bands (ev): -8.4546 -8.4546 2.1498 2.1498 3.2427 3.2427 3.2668 3.2668 3.6316 3.6316 3.8378 3.8378 4.4161 4.4161 4.7431 4.7431 4.7914 4.7914 9.3625 9.3625 13.3309 13.3309 14.4856 14.4856 15.6346 15.6346 k = 0.2182-0.1260 0.1781 ( 1948 PWs) bands (ev): -8.4412 -8.4412 2.1025 2.1025 3.2349 3.2349 3.2642 3.2642 3.6234 3.6234 3.8383 3.8383 4.4092 4.4092 4.7377 4.7377 4.7943 4.7943 9.4460 9.4460 13.2176 13.2176 14.4181 14.4181 15.6443 15.6443 k = 0.2273-0.1312 0.1856 ( 1964 PWs) bands (ev): -8.4278 -8.4278 2.0589 2.0589 3.2279 3.2279 3.2617 3.2617 3.6157 3.6157 3.8388 3.8388 4.4008 4.4008 4.7306 4.7306 4.7961 4.7961 9.5119 9.5119 13.1276 13.1276 14.3527 14.3527 15.6588 15.6588 k = 0.2364-0.1365 0.1930 ( 1964 PWs) bands (ev): -8.4144 -8.4144 2.0193 2.0193 3.2220 3.2220 3.2595 3.2595 3.6088 3.6088 3.8395 3.8395 4.3907 4.3907 4.7221 4.7221 4.7966 4.7966 9.5579 9.5579 13.0629 13.0629 14.2899 14.2899 15.6783 15.6783 k = 0.2455-0.1417 0.2004 ( 1964 PWs) bands (ev): -8.4011 -8.4011 1.9838 1.9838 3.2172 3.2172 3.2575 3.2575 3.6027 3.6027 3.8404 3.8404 4.3792 4.3792 4.7121 4.7121 4.7956 4.7956 9.5826 9.5826 13.0249 13.0249 14.2295 14.2295 15.7025 15.7025 k = 0.2545-0.1470 0.2078 ( 1964 PWs) bands (ev): -8.3878 -8.3878 1.9523 1.9523 3.2134 3.2134 3.2557 3.2557 3.5972 3.5972 3.8415 3.8415 4.3661 4.3661 4.7005 4.7005 4.7932 4.7932 9.5854 9.5854 13.0141 13.0141 14.1714 14.1714 15.7315 15.7315 k = 0.2636-0.1522 0.2153 ( 1952 PWs) bands (ev): -8.3747 -8.3747 1.9249 1.9249 3.2109 3.2109 3.2542 3.2542 3.5927 3.5927 3.8426 3.8426 4.3517 4.3517 4.6876 4.6876 4.7893 4.7893 9.5671 9.5671 13.0295 13.0295 14.1157 14.1157 15.7650 15.7650 k = 0.2727-0.1575 0.2227 ( 1952 PWs) bands (ev): -8.3618 -8.3618 1.9016 1.9016 3.2093 3.2093 3.2528 3.2528 3.5889 3.5889 3.8438 3.8438 4.3357 4.3357 4.6732 4.6732 4.7835 4.7835 9.5292 9.5292 13.0693 13.0693 14.0622 14.0622 15.8028 15.8028 k = 0.2818-0.1627 0.2301 ( 1952 PWs) bands (ev): -8.3491 -8.3491 1.8824 1.8824 3.2088 3.2088 3.2516 3.2516 3.5860 3.5860 3.8450 3.8450 4.3183 4.3183 4.6574 4.6574 4.7759 4.7759 9.4744 9.4744 13.1308 13.1308 14.0110 14.0110 15.8449 15.8449 k = 0.2909-0.1680 0.2375 ( 1960 PWs) bands (ev): -8.3366 -8.3366 1.8671 1.8671 3.2093 3.2093 3.2505 3.2505 3.5839 3.5839 3.8463 3.8463 4.2995 4.2995 4.6403 4.6403 4.7663 4.7663 9.4055 9.4055 13.2108 13.2108 13.9622 13.9622 15.8910 15.8910 k = 0.3000-0.1732 0.2449 ( 1956 PWs) bands (ev): -8.3245 -8.3245 1.8559 1.8559 3.2110 3.2110 3.2497 3.2497 3.5829 3.5829 3.8478 3.8478 4.2794 4.2794 4.6220 4.6220 4.7549 4.7549 9.3258 9.3258 13.3062 13.3062 13.9155 13.9155 15.9409 15.9409 k = 0.3091-0.1785 0.2524 ( 1956 PWs) bands (ev): -8.3127 -8.3127 1.8487 1.8487 3.2137 3.2137 3.2489 3.2489 3.5828 3.5828 3.8492 3.8492 4.2580 4.2580 4.6027 4.6027 4.7414 4.7414 9.2381 9.2381 13.4138 13.4138 13.8711 13.8711 15.9944 15.9944 k = 0.3182-0.1837 0.2598 ( 1948 PWs) bands (ev): -8.3014 -8.3014 1.8453 1.8453 3.2176 3.2176 3.2482 3.2482 3.5838 3.5838 3.8506 3.8506 4.2355 4.2355 4.5824 4.5824 4.7259 4.7259 9.1451 9.1451 13.5306 13.5306 13.8290 13.8290 16.0512 16.0512 k = 0.3273-0.1890 0.2672 ( 1948 PWs) bands (ev): -8.2904 -8.2904 1.8456 1.8456 3.2225 3.2225 3.2476 3.2476 3.5858 3.5858 3.8520 3.8520 4.2117 4.2117 4.5611 4.5611 4.7084 4.7084 9.0491 9.0491 13.6542 13.6542 13.7890 13.7890 16.1109 16.1110 k = 0.3364-0.1942 0.2746 ( 1948 PWs) bands (ev): -8.2798 -8.2798 1.8495 1.8495 3.2284 3.2284 3.2470 3.2470 3.5889 3.5889 3.8533 3.8533 4.1868 4.1868 4.5390 4.5390 4.6888 4.6888 8.9520 8.9520 13.7512 13.7512 13.7823 13.7823 16.1733 16.1733 k = 0.3455-0.1994 0.2821 ( 1952 PWs) bands (ev): -8.2697 -8.2697 1.8567 1.8567 3.2353 3.2353 3.2465 3.2465 3.5931 3.5931 3.8546 3.8546 4.1607 4.1607 4.5161 4.5161 4.6674 4.6674 8.8554 8.8554 13.7156 13.7156 13.9129 13.9129 16.2379 16.2379 k = 0.3545-0.2047 0.2895 ( 1952 PWs) bands (ev): -8.2601 -8.2601 1.8671 1.8671 3.2432 3.2432 3.2459 3.2459 3.5984 3.5984 3.8558 3.8558 4.1337 4.1337 4.4928 4.4928 4.6441 4.6441 8.7606 8.7606 13.6822 13.6822 14.0443 14.0443 16.3044 16.3044 k = 0.3636-0.2099 0.2969 ( 1956 PWs) bands (ev): -8.2510 -8.2510 1.8805 1.8805 3.2453 3.2453 3.2521 3.2521 3.6047 3.6047 3.8568 3.8568 4.1056 4.1056 4.4691 4.4691 4.6194 4.6194 8.6689 8.6689 13.6508 13.6508 14.1750 14.1750 16.3722 16.3722 k = 0.3727-0.2152 0.3043 ( 1956 PWs) bands (ev): -8.2425 -8.2425 1.8964 1.8964 3.2447 3.2447 3.2618 3.2618 3.6121 3.6121 3.8578 3.8578 4.0767 4.0767 4.4452 4.4452 4.5932 4.5932 8.5810 8.5810 13.6216 13.6216 14.3036 14.3036 16.4409 16.4409 k = 0.3818-0.2204 0.3118 ( 1952 PWs) bands (ev): -8.2345 -8.2345 1.9147 1.9147 3.2441 3.2441 3.2726 3.2726 3.6205 3.6205 3.8586 3.8586 4.0470 4.0470 4.4212 4.4212 4.5660 4.5660 8.4976 8.4976 13.5944 13.5944 14.4290 14.4290 16.5100 16.5100 k = 0.3909-0.2257 0.3192 ( 1952 PWs) bands (ev): -8.2270 -8.2270 1.9349 1.9349 3.2435 3.2435 3.2841 3.2841 3.6297 3.6297 3.8593 3.8593 4.0165 4.0165 4.3974 4.3974 4.5381 4.5381 8.4194 8.4194 13.5694 13.5694 14.5499 14.5499 16.5788 16.5788 k = 0.4000-0.2309 0.3266 ( 1944 PWs) bands (ev): -8.2201 -8.2201 1.9566 1.9566 3.2429 3.2429 3.2964 3.2964 3.6398 3.6398 3.8597 3.8597 3.9856 3.9856 4.3740 4.3740 4.5100 4.5100 8.3467 8.3467 13.5464 13.5464 14.6653 14.6653 16.6467 16.6467 k = 0.4091-0.2362 0.3340 ( 1948 PWs) bands (ev): -8.2138 -8.2138 1.9794 1.9794 3.2422 3.2422 3.3093 3.3093 3.6506 3.6506 3.8598 3.8598 3.9540 3.9540 4.3510 4.3510 4.4818 4.4818 8.2799 8.2799 13.5255 13.5255 14.7743 14.7743 16.7128 16.7128 k = 0.4182-0.2414 0.3414 ( 1948 PWs) bands (ev): -8.2080 -8.2080 2.0027 2.0027 3.2414 3.2414 3.3230 3.3230 3.6619 3.6619 3.8596 3.8596 3.9224 3.9224 4.3288 4.3288 4.4545 4.4545 8.2192 8.2192 13.5064 13.5064 14.8759 14.8759 16.7765 16.7765 k = 0.4273-0.2467 0.3489 ( 1948 PWs) bands (ev): -8.2029 -8.2029 2.0260 2.0260 3.2407 3.2407 3.3370 3.3370 3.6735 3.6735 3.8591 3.8591 3.8908 3.8908 4.3076 4.3076 4.4284 4.4284 8.1649 8.1649 13.4895 13.4895 14.9694 14.9694 16.8370 16.8370 k = 0.4364-0.2519 0.3563 ( 1936 PWs) bands (ev): -8.1983 -8.1983 2.0488 2.0488 3.2401 3.2401 3.3515 3.3515 3.6852 3.6852 3.8583 3.8583 3.8598 3.8598 4.2879 4.2879 4.4043 4.4043 8.1169 8.1169 13.4746 13.4746 15.0539 15.0539 16.8933 16.8933 k = 0.4455-0.2572 0.3637 ( 1948 PWs) bands (ev): -8.1944 -8.1944 2.0702 2.0702 3.2394 3.2394 3.3661 3.3661 3.6968 3.6968 3.8296 3.8296 3.8570 3.8570 4.2695 4.2695 4.3820 4.3820 8.0753 8.0753 13.4618 13.4618 15.1287 15.1287 16.9445 16.9445 k = 0.4545-0.2624 0.3711 ( 1952 PWs) bands (ev): -8.1910 -8.1910 2.0898 2.0898 3.2388 3.2388 3.3804 3.3804 3.7079 3.7079 3.8011 3.8011 3.8554 3.8554 4.2532 4.2532 4.3623 4.3623 8.0402 8.0402 13.4509 13.4509 15.1931 15.1931 16.9897 16.9897 k = 0.4636-0.2677 0.3786 ( 1952 PWs) bands (ev): -8.1883 -8.1883 2.1069 2.1069 3.2384 3.2384 3.3941 3.3941 3.7180 3.7180 3.7752 3.7752 3.8537 3.8537 4.2393 4.2393 4.3457 4.3457 8.0115 8.0115 13.4420 13.4420 15.2467 15.2467 17.0282 17.0282 k = 0.4727-0.2729 0.3860 ( 1952 PWs) bands (ev): -8.1862 -8.1862 2.1209 2.1209 3.2380 3.2380 3.4064 3.4064 3.7268 3.7268 3.7529 3.7529 3.8519 3.8519 4.2280 4.2280 4.3324 4.3324 7.9892 7.9892 13.4351 13.4351 15.2888 15.2888 17.0591 17.0591 k = 0.4818-0.2782 0.3934 ( 1952 PWs) bands (ev): -8.1846 -8.1846 2.1313 2.1313 3.2377 3.2377 3.4163 3.4163 3.7336 3.7336 3.7355 3.7355 3.8503 3.8503 4.2197 4.2197 4.3227 4.3227 7.9734 7.9734 13.4302 13.4302 15.3192 15.3192 17.0817 17.0817 k = 0.4909-0.2834 0.4008 ( 1964 PWs) bands (ev): -8.1837 -8.1837 2.1377 2.1377 3.2375 3.2375 3.4229 3.4229 3.7242 3.7242 3.7380 3.7380 3.8491 3.8491 4.2144 4.2144 4.3166 4.3166 7.9638 7.9638 13.4272 13.4272 15.3376 15.3376 17.0954 17.0954 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -8.1834 -8.1834 2.1398 2.1398 3.2375 3.2375 3.4252 3.4252 3.7203 3.7203 3.7395 3.7395 3.8486 3.8486 4.2127 4.2127 4.3146 4.3146 7.9606 7.9606 13.4262 13.4262 15.3437 15.3437 17.1000 17.1000 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -8.1834 -8.1834 2.1398 2.1398 3.2375 3.2375 3.4252 3.4252 3.7203 3.7203 3.7395 3.7395 3.8486 3.8486 4.2127 4.2127 4.3146 4.3146 7.9606 7.9606 13.4262 13.4262 15.3437 15.3437 17.1000 17.1000 k = 0.5000-0.2784 0.4155 ( 1964 PWs) bands (ev): -8.1833 -8.1833 2.1402 2.1402 3.2340 3.2340 3.4156 3.4156 3.7119 3.7119 3.7438 3.7438 3.8624 3.8624 4.2137 4.2137 4.3161 4.3161 7.9652 7.9652 13.4264 13.4264 15.3410 15.3410 17.0947 17.0947 k = 0.5000-0.2681 0.4228 ( 1960 PWs) bands (ev): -8.1830 -8.1830 2.1412 2.1412 3.2239 3.2239 3.3881 3.3881 3.7004 3.7004 3.7495 3.7495 3.8957 3.8957 4.2166 4.2166 4.3207 4.3207 7.9788 7.9788 13.4273 13.4273 15.3330 15.3330 17.0768 17.0768 k = 0.5000-0.2577 0.4301 ( 1956 PWs) bands (ev): -8.1826 -8.1826 2.1429 2.1429 3.2075 3.2075 3.3460 3.3460 3.6943 3.6943 3.7553 3.7553 3.9368 3.9368 4.2210 4.2210 4.3290 4.3290 8.0015 8.0015 13.4287 13.4287 15.3196 15.3196 17.0413 17.0413 k = 0.5000-0.2474 0.4374 ( 1944 PWs) bands (ev): -8.1820 -8.1820 2.1453 2.1453 3.1851 3.1851 3.2947 3.2947 3.6936 3.6936 3.7627 3.7627 3.9788 3.9788 4.2265 4.2265 4.3423 4.3423 8.0331 8.0331 13.4308 13.4308 15.3011 15.3011 16.9820 16.9820 k = 0.5000-0.2371 0.4447 ( 1942 PWs) bands (ev): -8.1812 -8.1812 2.1483 2.1483 3.1560 3.1560 3.2396 3.2396 3.6960 3.6960 3.7721 3.7721 4.0177 4.0177 4.2322 4.2322 4.3612 4.3612 8.0737 8.0737 13.4335 13.4335 15.2775 15.2775 16.8955 16.8955 k = 0.5000-0.2268 0.4520 ( 1936 PWs) bands (ev): -8.1802 -8.1802 2.1521 2.1521 3.1175 3.1175 3.1872 3.1872 3.6997 3.6997 3.7838 3.7838 4.0522 4.0522 4.2376 4.2376 4.3864 4.3864 8.1230 8.1230 13.4371 13.4371 15.2491 15.2491 16.7829 16.7829 k = 0.5000-0.2165 0.4593 ( 1940 PWs) bands (ev): -8.1791 -8.1791 2.1565 2.1565 3.0668 3.0668 3.1428 3.1428 3.7035 3.7035 3.7974 3.7974 4.0815 4.0815 4.2421 4.2421 4.4172 4.4172 8.1808 8.1808 13.4416 13.4416 15.2161 15.2161 16.6483 16.6483 k = 0.5000-0.2062 0.4666 ( 1936 PWs) bands (ev): -8.1779 -8.1779 2.1616 2.1616 3.0072 3.0072 3.1053 3.1053 3.7071 3.7071 3.8125 3.8125 4.1064 4.1064 4.2458 4.2458 4.4525 4.4525 8.2470 8.2470 13.4473 13.4473 15.1786 15.1786 16.4962 16.4962 k = 0.5000-0.1959 0.4739 ( 1940 PWs) bands (ev): -8.1765 -8.1765 2.1674 2.1674 2.9440 2.9440 3.0705 3.0705 3.7101 3.7101 3.8284 3.8284 4.1279 4.1279 4.2487 4.2487 4.4906 4.4906 8.3213 8.3213 13.4543 13.4543 15.1371 15.1371 16.3304 16.3304 k = 0.5000-0.1856 0.4811 ( 1940 PWs) bands (ev): -8.1751 -8.1751 2.1738 2.1738 2.8801 2.8801 3.0367 3.0367 3.7128 3.7128 3.8447 3.8447 4.1468 4.1468 4.2510 4.2510 4.5298 4.5298 8.4033 8.4033 13.4628 13.4628 15.0918 15.0918 16.1543 16.1543 k = 0.5000-0.1753 0.4884 ( 1948 PWs) bands (ev): -8.1735 -8.1735 2.1809 2.1809 2.8170 2.8170 3.0033 3.0033 3.7151 3.7151 3.8607 3.8607 4.1639 4.1639 4.2528 4.2528 4.5689 4.5689 8.4925 8.4925 13.4728 13.4728 15.0429 15.0429 15.9706 15.9706 k = 0.5000-0.1650 0.4957 ( 1942 PWs) bands (ev): -8.1719 -8.1719 2.1886 2.1886 2.7557 2.7557 2.9702 2.9702 3.7172 3.7172 3.8765 3.8765 4.1799 4.1799 4.2544 4.2544 4.6071 4.6071 8.5885 8.5885 13.4848 13.4848 14.9910 14.9910 15.7814 15.7814 k = 0.5000-0.1546 0.5030 ( 1942 PWs) bands (ev): -8.1703 -8.1703 2.1969 2.1969 2.6966 2.6966 2.9372 2.9372 3.7192 3.7192 3.8917 3.8917 4.1949 4.1949 4.2557 4.2557 4.6434 4.6434 8.6906 8.6906 13.4986 13.4986 14.9363 14.9363 15.5887 15.5887 k = 0.5000-0.1443 0.5103 ( 1940 PWs) bands (ev): -8.1686 -8.1686 2.2057 2.2057 2.6403 2.6403 2.9046 2.9046 3.7209 3.7209 3.9061 3.9061 4.2091 4.2091 4.2569 4.2569 4.6778 4.6778 8.7983 8.7983 13.5145 13.5145 14.8792 14.8792 15.3942 15.3942 k = 0.5000-0.1340 0.5176 ( 1936 PWs) bands (ev): -8.1669 -8.1669 2.2149 2.2149 2.5871 2.5871 2.8724 2.8724 3.7226 3.7226 3.9197 3.9197 4.2227 4.2227 4.2581 4.2581 4.7097 4.7097 8.9106 8.9106 13.5326 13.5326 14.8201 14.8201 15.1994 15.1994 k = 0.5000-0.1237 0.5249 ( 1932 PWs) bands (ev): -8.1653 -8.1653 2.2243 2.2243 2.5376 2.5376 2.8408 2.8408 3.7241 3.7241 3.9323 3.9323 4.2353 4.2353 4.2594 4.2594 4.7392 4.7392 9.0267 9.0267 13.5530 13.5530 14.7591 14.7591 15.0062 15.0062 k = 0.5000-0.1134 0.5322 ( 1932 PWs) bands (ev): -8.1637 -8.1637 2.2337 2.2337 2.4922 2.4922 2.8097 2.8097 3.7254 3.7254 3.9439 3.9439 4.2462 4.2462 4.2616 4.2616 4.7660 4.7660 9.1455 9.1455 13.5756 13.5756 14.6962 14.6962 14.8164 14.8164 k = 0.5000-0.1031 0.5395 ( 1932 PWs) bands (ev): -8.1622 -8.1622 2.2425 2.2425 2.4516 2.4516 2.7794 2.7794 3.7267 3.7267 3.9545 3.9545 4.2536 4.2536 4.2664 4.2664 4.7902 4.7902 9.2658 9.2658 13.6006 13.6006 14.6162 14.6162 14.6475 14.6475 k = 0.5000-0.0928 0.5468 ( 1932 PWs) bands (ev): -8.1607 -8.1607 2.2498 2.2498 2.4168 2.4168 2.7500 2.7500 3.7278 3.7278 3.9641 3.9641 4.2568 4.2568 4.2746 4.2746 4.8118 4.8118 9.3861 9.3861 13.6278 13.6278 14.4466 14.4466 14.5741 14.5741 k = 0.5000-0.0825 0.5541 ( 1930 PWs) bands (ev): -8.1593 -8.1593 2.2541 2.2541 2.3894 2.3894 2.7217 2.7217 3.7288 3.7288 3.9728 3.9728 4.2581 4.2581 4.2837 4.2837 4.8309 4.8309 9.5048 9.5048 13.6566 13.6566 14.2763 14.2763 14.5099 14.5099 k = 0.5000-0.0722 0.5613 ( 1930 PWs) bands (ev): -8.1581 -8.1581 2.2533 2.2533 2.3716 2.3716 2.6945 2.6945 3.7297 3.7297 3.9804 3.9804 4.2589 4.2589 4.2924 4.2924 4.8476 4.8476 9.6198 9.6198 13.6861 13.6861 14.1174 14.1174 14.4465 14.4465 k = 0.5000-0.0619 0.5686 ( 1922 PWs) bands (ev): -8.1569 -8.1569 2.2462 2.2462 2.3642 2.3642 2.6689 2.6689 3.7306 3.7306 3.9870 3.9870 4.2596 4.2596 4.3001 4.3001 4.8619 4.8619 9.7289 9.7289 13.7121 13.7121 13.9768 13.9768 14.3839 14.3839 k = 0.5000-0.0515 0.5759 ( 1922 PWs) bands (ev): -8.1560 -8.1560 2.2349 2.2349 2.3653 2.3653 2.6451 2.6451 3.7313 3.7313 3.9927 3.9927 4.2600 4.2600 4.3069 4.3069 4.8738 4.8738 9.8293 9.8293 13.7163 13.7163 13.8755 13.8755 14.3224 14.3224 k = 0.5000-0.0412 0.5832 ( 1922 PWs) bands (ev): -8.1552 -8.1552 2.2224 2.2224 2.3712 2.3712 2.6236 2.6236 3.7318 3.7318 3.9973 3.9973 4.2603 4.2603 4.3124 4.3124 4.8835 4.8835 9.9180 9.9180 13.6600 13.6600 13.8551 13.8551 14.2623 14.2623 k = 0.5000-0.0309 0.5905 ( 1926 PWs) bands (ev): -8.1545 -8.1545 2.2111 2.2111 2.3791 2.3791 2.6051 2.6051 3.7322 3.7322 4.0008 4.0008 4.2605 4.2605 4.3168 4.3168 4.8909 4.8909 9.9918 9.9918 13.5797 13.5797 13.8818 13.8818 14.2044 14.2044 k = 0.5000-0.0206 0.5978 ( 1920 PWs) bands (ev): -8.1540 -8.1540 2.2024 2.2024 2.3866 2.3866 2.5905 2.5905 3.7326 3.7326 4.0035 4.0035 4.2607 4.2607 4.3201 4.3201 4.8962 4.8962 10.0474 10.0474 13.5135 13.5135 13.9200 13.9200 14.1499 14.1499 k = 0.5000-0.0103 0.6051 ( 1912 PWs) bands (ev): -8.1538 -8.1538 2.1971 2.1971 2.3921 2.3921 2.5810 2.5810 3.7328 3.7328 4.0051 4.0051 4.2608 4.2608 4.3221 4.3221 4.8995 4.8995 10.0821 10.0821 13.4714 13.4714 13.9588 13.9588 14.1024 14.1024 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -8.1537 -8.1537 2.1953 2.1953 2.3941 2.3941 2.5777 2.5777 3.7329 3.7329 4.0056 4.0056 4.2608 4.2608 4.3228 4.3228 4.9005 4.9005 10.0939 10.0939 13.4569 13.4569 13.9799 13.9799 14.0785 14.0785 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -8.1537 -8.1537 2.1953 2.1953 2.3941 2.3941 2.5777 2.5777 3.7329 3.7329 4.0056 4.0056 4.2608 4.2608 4.3228 4.3228 4.9005 4.9005 10.0939 10.0939 13.4569 13.4569 13.9799 13.9799 14.0785 14.0785 k = 0.4938 0.0108 0.6124 ( 1912 PWs) bands (ev): -8.1538 -8.1538 2.1949 2.1949 2.3933 2.3933 2.5788 2.5788 3.7330 3.7330 4.0045 4.0045 4.2619 4.2619 4.3234 4.3234 4.9018 4.9018 10.0889 10.0889 13.4549 13.4549 13.9750 13.9750 14.0931 14.0931 k = 0.4875 0.0217 0.6124 ( 1921 PWs) bands (ev): -8.1540 -8.1540 2.1940 2.1940 2.3908 2.3908 2.5815 2.5815 3.7333 3.7333 4.0008 4.0008 4.2649 4.2649 4.3253 4.3253 4.9056 4.9056 10.0739 10.0739 13.4474 13.4474 13.9757 13.9757 14.1230 14.1230 k = 0.4813 0.0325 0.6124 ( 1927 PWs) bands (ev): -8.1544 -8.1544 2.1926 2.1926 2.3871 2.3871 2.5853 2.5853 3.7336 3.7336 3.9950 3.9950 4.2692 4.2692 4.3292 4.3292 4.9121 4.9121 10.0493 10.0493 13.4336 13.4336 13.9929 13.9929 14.1580 14.1580 k = 0.4750 0.0433 0.6124 ( 1929 PWs) bands (ev): -8.1549 -8.1549 2.1911 2.1911 2.3827 2.3827 2.5897 2.5897 3.7339 3.7339 3.9874 3.9874 4.2742 4.2742 4.3356 4.3356 4.9212 4.9212 10.0157 10.0157 13.4142 13.4142 14.0286 14.0286 14.1951 14.1951 k = 0.4688 0.0541 0.6124 ( 1929 PWs) bands (ev): -8.1556 -8.1556 2.1893 2.1893 2.3779 2.3779 2.5941 2.5941 3.7341 3.7341 3.9783 3.9783 4.2789 4.2789 4.3446 4.3446 4.9330 4.9330 9.9741 9.9741 13.3911 13.3911 14.0808 14.0808 14.2334 14.2334 k = 0.4625 0.0650 0.6124 ( 1931 PWs) bands (ev): -8.1562 -8.1562 2.1874 2.1874 2.3731 2.3731 2.5983 2.5983 3.7339 3.7339 3.9682 3.9682 4.2827 4.2827 4.3560 4.3560 4.9475 4.9475 9.9257 9.9257 13.3662 13.3662 14.1463 14.1463 14.2733 14.2733 k = 0.4562 0.0758 0.6124 ( 1931 PWs) bands (ev): -8.1570 -8.1570 2.1853 2.1853 2.3684 2.3684 2.6020 2.6020 3.7334 3.7334 3.9576 3.9576 4.2857 4.2857 4.3693 4.3693 4.9645 4.9645 9.8717 9.8717 13.3409 13.3409 14.2199 14.2199 14.3173 14.3173 k = 0.4500 0.0866 0.6124 ( 1923 PWs) bands (ev): -8.1578 -8.1578 2.1831 2.1831 2.3641 2.3641 2.6052 2.6052 3.7325 3.7325 3.9470 3.9470 4.2881 4.2881 4.3838 4.3838 4.9840 4.9840 9.8137 9.8137 13.3164 13.3164 14.2898 14.2898 14.3746 14.3746 k = 0.4437 0.0974 0.6124 ( 1925 PWs) bands (ev): -8.1586 -8.1586 2.1808 2.1808 2.3603 2.3603 2.6079 2.6079 3.7309 3.7309 3.9367 3.9367 4.2899 4.2899 4.3984 4.3984 5.0054 5.0054 9.7531 9.7531 13.2933 13.2933 14.3423 14.3423 14.4565 14.4565 k = 0.4375 0.1083 0.6124 ( 1925 PWs) bands (ev): -8.1594 -8.1594 2.1785 2.1785 2.3569 2.3569 2.6101 2.6101 3.7289 3.7289 3.9269 3.9269 4.2914 4.2914 4.4127 4.4127 5.0285 5.0285 9.6914 9.6914 13.2719 13.2719 14.3816 14.3816 14.5572 14.5572 k = 0.4313 0.1191 0.6124 ( 1923 PWs) bands (ev): -8.1601 -8.1601 2.1762 2.1762 2.3540 2.3540 2.6118 2.6118 3.7265 3.7265 3.9179 3.9179 4.2926 4.2926 4.4262 4.4262 5.0528 5.0528 9.6302 9.6302 13.2526 13.2526 14.4146 14.4146 14.6674 14.6674 k = 0.4250 0.1299 0.6124 ( 1925 PWs) bands (ev): -8.1609 -8.1609 2.1738 2.1738 2.3516 2.3516 2.6131 2.6131 3.7237 3.7237 3.9098 3.9098 4.2936 4.2936 4.4384 4.4384 5.0775 5.0775 9.5709 9.5709 13.2352 13.2352 14.4438 14.4438 14.7829 14.7829 k = 0.4188 0.1407 0.6124 ( 1929 PWs) bands (ev): -8.1616 -8.1616 2.1716 2.1716 2.3496 2.3496 2.6141 2.6141 3.7207 3.7207 3.9026 3.9026 4.2944 4.2944 4.4493 4.4493 5.1019 5.1019 9.5148 9.5148 13.2200 13.2200 14.4696 14.4696 14.9008 14.9008 k = 0.4125 0.1516 0.6124 ( 1925 PWs) bands (ev): -8.1622 -8.1622 2.1696 2.1696 2.3480 2.3480 2.6148 2.6148 3.7176 3.7176 3.8966 3.8966 4.2951 4.2951 4.4589 4.4589 5.1253 5.1253 9.4632 9.4632 13.2068 13.2068 14.4923 14.4923 15.0184 15.0184 k = 0.4062 0.1624 0.6124 ( 1923 PWs) bands (ev): -8.1627 -8.1627 2.1678 2.1678 2.3467 2.3467 2.6153 2.6153 3.7146 3.7146 3.8916 3.8916 4.2957 4.2957 4.4668 4.4668 5.1468 5.1468 9.4173 9.4173 13.1958 13.1958 14.5118 14.5118 15.1327 15.1327 k = 0.4000 0.1732 0.6124 ( 1921 PWs) bands (ev): -8.1632 -8.1632 2.1662 2.1662 2.3458 2.3458 2.6157 2.6157 3.7119 3.7119 3.8876 3.8876 4.2962 4.2962 4.4734 4.4734 5.1657 5.1657 9.3782 9.3782 13.1868 13.1868 14.5279 14.5279 15.2398 15.2398 k = 0.3937 0.1840 0.6124 ( 1922 PWs) bands (ev): -8.1635 -8.1635 2.1649 2.1649 2.3451 2.3451 2.6160 2.6160 3.7096 3.7096 3.8845 3.8845 4.2966 4.2966 4.4783 4.4783 5.1812 5.1812 9.3468 9.3468 13.1798 13.1798 14.5406 14.5406 15.3345 15.3345 k = 0.3875 0.1949 0.6124 ( 1926 PWs) bands (ev): -8.1638 -8.1638 2.1640 2.1640 2.3446 2.3446 2.6161 2.6161 3.7078 3.7078 3.8823 3.8823 4.2968 4.2968 4.4819 4.4819 5.1927 5.1927 9.3238 9.3238 13.1748 13.1748 14.5498 14.5498 15.4104 15.4104 k = 0.3812 0.2057 0.6124 ( 1926 PWs) bands (ev): -8.1640 -8.1640 2.1634 2.1634 2.3443 2.3443 2.6162 2.6162 3.7067 3.7067 3.8810 3.8810 4.2970 4.2970 4.4840 4.4840 5.1998 5.1998 9.3097 9.3097 13.1719 13.1719 14.5553 14.5553 15.4603 15.4603 k = 0.3750 0.2165 0.6124 ( 1926 PWs) bands (ev): -8.1640 -8.1640 2.1632 2.1632 2.3442 2.3442 2.6162 2.6162 3.7064 3.7064 3.8806 3.8806 4.2970 4.2970 4.4847 4.4847 5.2022 5.2022 9.3050 9.3050 13.1709 13.1709 14.5572 14.5572 15.4777 15.4777 k = 0.3750 0.2165 0.6124 ( 1926 PWs) bands (ev): -8.1640 -8.1640 2.1632 2.1632 2.3442 2.3442 2.6162 2.6162 3.7064 3.7064 3.8806 3.8806 4.2970 4.2970 4.4847 4.4847 5.2022 5.2022 9.3050 9.3050 13.1709 13.1709 14.5572 14.5572 15.4777 15.4777 k = 0.3685 0.2128 0.6018 ( 1926 PWs) bands (ev): -8.1638 -8.1638 2.1205 2.1205 2.3394 2.3394 2.5840 2.5840 3.7176 3.7176 3.8817 3.8817 4.3104 4.3104 4.4885 4.4885 5.2792 5.2792 9.4136 9.4136 13.1118 13.1118 14.4969 14.4969 15.3556 15.3556 k = 0.3621 0.2090 0.5913 ( 1926 PWs) bands (ev): -8.1639 -8.1639 2.0720 2.0720 2.3430 2.3430 2.5539 2.5539 3.7286 3.7286 3.8827 3.8827 4.3242 4.3242 4.4916 4.4916 5.3553 5.3553 9.5230 9.5230 13.0462 13.0462 14.4371 14.4371 15.2352 15.2352 k = 0.3556 0.2053 0.5807 ( 1918 PWs) bands (ev): -8.1643 -8.1643 2.0222 2.0222 2.3510 2.3510 2.5263 2.5263 3.7392 3.7392 3.8836 3.8836 4.3385 4.3385 4.4941 4.4941 5.4305 5.4305 9.6331 9.6331 12.9746 12.9746 14.3782 14.3782 15.1172 15.1172 k = 0.3491 0.2016 0.5701 ( 1922 PWs) bands (ev): -8.1652 -8.1652 1.9731 1.9731 2.3608 2.3608 2.5015 2.5015 3.7491 3.7491 3.8845 3.8845 4.3530 4.3530 4.4960 4.4960 5.5043 5.5043 9.7438 9.7438 12.8971 12.8971 14.3204 14.3204 15.0019 15.0019 k = 0.3427 0.1978 0.5596 ( 1922 PWs) bands (ev): -8.1664 -8.1664 1.9259 1.9259 2.3706 2.3706 2.4805 2.4805 3.7583 3.7583 3.8855 3.8855 4.3678 4.3678 4.4974 4.4974 5.5765 5.5765 9.8549 9.8549 12.8144 12.8144 14.2639 14.2639 14.8899 14.8899 k = 0.3362 0.1941 0.5490 ( 1927 PWs) bands (ev): -8.1682 -8.1682 1.8812 1.8812 2.3780 2.3780 2.4652 2.4652 3.7664 3.7664 3.8868 3.8868 4.3827 4.3827 4.4982 4.4982 5.6469 5.6469 9.9664 9.9664 12.7268 12.7268 14.2091 14.2091 14.7816 14.7816 k = 0.3297 0.1904 0.5385 ( 1931 PWs) bands (ev): -8.1704 -8.1704 1.8397 1.8397 2.3795 2.3795 2.4589 2.4589 3.7732 3.7732 3.8885 3.8885 4.3977 4.3977 4.4987 4.4987 5.7152 5.7152 10.0783 10.0783 12.6349 12.6349 14.1561 14.1561 14.6775 14.6775 k = 0.3233 0.1866 0.5279 ( 1927 PWs) bands (ev): -8.1732 -8.1732 1.8014 1.8014 2.3738 2.3738 2.4628 2.4628 3.7789 3.7789 3.8907 3.8907 4.4128 4.4128 4.4989 4.4989 5.7811 5.7811 10.1905 10.1905 12.5391 12.5391 14.1053 14.1053 14.5781 14.5781 k = 0.3168 0.1829 0.5173 ( 1927 PWs) bands (ev): -8.1765 -8.1765 1.7666 1.7666 2.3634 2.3634 2.4741 2.4741 3.7832 3.7832 3.8934 3.8934 4.4277 4.4277 4.4989 4.4989 5.8444 5.8444 10.3030 10.3030 12.4399 12.4399 14.0567 14.0567 14.4838 14.4838 k = 0.3103 0.1792 0.5068 ( 1925 PWs) bands (ev): -8.1804 -8.1804 1.7356 1.7356 2.3518 2.3518 2.4895 2.4895 3.7860 3.7860 3.8965 3.8965 4.4422 4.4422 4.4988 4.4988 5.9047 5.9047 10.4160 10.4160 12.3377 12.3377 14.0106 14.0106 14.3951 14.3951 k = 0.3039 0.1754 0.4962 ( 1933 PWs) bands (ev): -8.1849 -8.1849 1.7084 1.7084 2.3405 2.3405 2.5071 2.5071 3.7874 3.7874 3.8998 3.8998 4.4558 4.4558 4.4989 4.4989 5.9616 5.9616 10.5295 10.5295 12.2330 12.2330 13.9671 13.9671 14.3122 14.3122 k = 0.2974 0.1717 0.4857 ( 1933 PWs) bands (ev): -8.1900 -8.1900 1.6851 1.6851 2.3304 2.3304 2.5264 2.5264 3.7876 3.7876 3.9034 3.9034 4.4678 4.4678 4.5004 4.5004 6.0150 6.0150 10.6435 10.6435 12.1259 12.1259 13.9264 13.9264 14.2358 14.2358 k = 0.2909 0.1680 0.4751 ( 1933 PWs) bands (ev): -8.1958 -8.1958 1.6660 1.6660 2.3218 2.3218 2.5467 2.5467 3.7868 3.7868 3.9069 3.9069 4.4760 4.4760 4.5050 4.5050 6.0645 6.0645 10.7581 10.7581 12.0170 12.0170 13.8887 13.8887 14.1663 14.1663 k = 0.2845 0.1642 0.4646 ( 1933 PWs) bands (ev): -8.2021 -8.2021 1.6510 1.6510 2.3149 2.3149 2.5679 2.5679 3.7851 3.7851 3.9102 3.9102 4.4792 4.4792 4.5138 4.5138 6.1098 6.1098 10.8734 10.8734 11.9064 11.9064 13.8542 13.8542 14.1040 14.1040 k = 0.2780 0.1605 0.4540 ( 1935 PWs) bands (ev): -8.2091 -8.2091 1.6402 1.6402 2.3098 2.3098 2.5899 2.5899 3.7826 3.7826 3.9131 3.9131 4.4791 4.4791 4.5253 4.5253 6.1507 6.1507 10.9891 10.9891 11.7948 11.7948 13.8229 13.8229 14.0492 14.0492 k = 0.2716 0.1568 0.4434 ( 1939 PWs) bands (ev): -8.2167 -8.2167 1.6337 1.6337 2.3067 2.3067 2.6125 2.6125 3.7794 3.7794 3.9155 3.9155 4.4773 4.4773 4.5376 4.5376 6.1868 6.1868 11.1050 11.1050 11.6827 11.6827 13.7951 13.7951 14.0024 14.0024 k = 0.2651 0.1530 0.4329 ( 1943 PWs) bands (ev): -8.2250 -8.2250 1.6315 1.6315 2.3055 2.3055 2.6356 2.6356 3.7757 3.7757 3.9173 3.9173 4.4746 4.4746 4.5501 4.5501 6.2180 6.2180 11.2188 11.2188 11.5727 11.5727 13.7709 13.7709 13.9639 13.9639 k = 0.2586 0.1493 0.4223 ( 1943 PWs) bands (ev): -8.2338 -8.2338 1.6335 1.6335 2.3063 2.3063 2.6593 2.6593 3.7717 3.7717 3.9185 3.9185 4.4712 4.4712 4.5623 4.5623 6.2439 6.2439 11.3157 11.3157 11.4798 11.4798 13.7507 13.7507 13.9337 13.9337 k = 0.2522 0.1456 0.4118 ( 1947 PWs) bands (ev): -8.2433 -8.2433 1.6399 1.6399 2.3090 2.3090 2.6834 2.6834 3.7673 3.7673 3.9188 3.9188 4.4674 4.4674 4.5739 4.5739 6.2645 6.2645 11.2966 11.2966 11.5034 11.5034 13.7345 13.7345 13.9119 13.9119 k = 0.2457 0.1418 0.4012 ( 1935 PWs) bands (ev): -8.2533 -8.2533 1.6507 1.6507 2.3139 2.3139 2.7081 2.7081 3.7627 3.7627 3.9187 3.9187 4.4631 4.4631 4.5853 4.5853 6.2796 6.2796 11.1923 11.1923 11.6128 11.6128 13.7229 13.7229 13.8989 13.8989 k = 0.2392 0.1381 0.3907 ( 1935 PWs) bands (ev): -8.2639 -8.2639 1.6657 1.6657 2.3207 2.3207 2.7330 2.7330 3.7579 3.7579 3.9176 3.9176 4.4584 4.4584 4.5958 4.5958 6.2889 6.2889 11.0765 11.0765 11.7344 11.7344 13.7160 13.7160 13.8943 13.8943 k = 0.2328 0.1344 0.3801 ( 1939 PWs) bands (ev): -8.2750 -8.2750 1.6849 1.6849 2.3294 2.3294 2.7583 2.7583 3.7529 3.7529 3.9158 3.9158 4.4533 4.4533 4.6055 4.6055 6.2925 6.2925 10.9573 10.9573 11.8604 11.8604 13.7138 13.7138 13.8982 13.8982 k = 0.2263 0.1307 0.3695 ( 1939 PWs) bands (ev): -8.2866 -8.2866 1.7084 1.7084 2.3401 2.3401 2.7839 2.7839 3.7479 3.7479 3.9132 3.9132 4.4478 4.4478 4.6144 4.6144 6.2905 6.2905 10.8364 10.8364 11.9891 11.9891 13.7168 13.7168 13.9108 13.9108 k = 0.2198 0.1269 0.3590 ( 1941 PWs) bands (ev): -8.2986 -8.2986 1.7361 1.7361 2.3528 2.3528 2.8098 2.8098 3.7428 3.7428 3.9098 3.9098 4.4420 4.4420 4.6225 4.6225 6.2827 6.2827 10.7140 10.7140 12.1203 12.1203 13.7248 13.7248 13.9322 13.9322 k = 0.2134 0.1232 0.3484 ( 1939 PWs) bands (ev): -8.3111 -8.3111 1.7678 1.7678 2.3676 2.3676 2.8358 2.8358 3.7378 3.7378 3.9059 3.9059 4.4358 4.4358 4.6298 4.6298 6.2693 6.2693 10.5905 10.5905 12.2539 12.2539 13.7378 13.7378 13.9623 13.9623 k = 0.2069 0.1195 0.3379 ( 1939 PWs) bands (ev): -8.3240 -8.3240 1.8036 1.8036 2.3842 2.3842 2.8620 2.8620 3.7329 3.7329 3.9013 3.9013 4.4294 4.4294 4.6360 4.6360 6.2503 6.2503 10.4660 10.4660 12.3897 12.3897 13.7559 13.7559 14.0010 14.0010 k = 0.2004 0.1157 0.3273 ( 1939 PWs) bands (ev): -8.3372 -8.3372 1.8433 1.8433 2.4028 2.4028 2.8884 2.8884 3.7281 3.7281 3.8960 3.8960 4.4227 4.4227 4.6414 4.6414 6.2261 6.2261 10.3404 10.3404 12.5276 12.5277 13.7790 13.7790 14.0486 14.0486 k = 0.1940 0.1120 0.3167 ( 1939 PWs) bands (ev): -8.3506 -8.3506 1.8869 1.8869 2.4233 2.4233 2.9148 2.9148 3.7234 3.7234 3.8902 3.8902 4.4158 4.4158 4.6457 4.6457 6.1967 6.1967 10.2139 10.2139 12.6678 12.6678 13.8071 13.8071 14.1047 14.1047 k = 0.1875 0.1083 0.3062 ( 1933 PWs) bands (ev): -8.3643 -8.3643 1.9342 1.9342 2.4458 2.4458 2.9411 2.9411 3.7189 3.7189 3.8841 3.8841 4.4089 4.4089 4.6490 4.6490 6.1625 6.1625 10.0865 10.0865 12.8101 12.8101 13.8403 13.8403 14.1693 14.1693 k = 0.1810 0.1045 0.2956 ( 1933 PWs) bands (ev): -8.3783 -8.3783 1.9850 1.9850 2.4700 2.4700 2.9674 2.9674 3.7147 3.7147 3.8775 3.8775 4.4018 4.4018 4.6513 4.6513 6.1235 6.1235 9.9583 9.9583 12.9544 12.9544 13.8785 13.8785 14.2422 14.2422 k = 0.1746 0.1008 0.2851 ( 1937 PWs) bands (ev): -8.3923 -8.3923 2.0393 2.0393 2.4961 2.4961 2.9936 2.9936 3.7109 3.7109 3.8705 3.8705 4.3946 4.3946 4.6525 4.6525 6.0802 6.0802 9.8292 9.8292 13.1005 13.1005 13.9218 13.9218 14.3231 14.3231 k = 0.1681 0.0971 0.2745 ( 1935 PWs) bands (ev): -8.4064 -8.4064 2.0969 2.0969 2.5240 2.5240 3.0196 3.0196 3.7074 3.7074 3.8635 3.8635 4.3874 4.3874 4.6527 4.6527 6.0329 6.0329 9.6993 9.6993 13.2484 13.2484 13.9704 13.9704 14.4117 14.4117 k = 0.1616 0.0933 0.2640 ( 1939 PWs) bands (ev): -8.4206 -8.4206 2.1576 2.1576 2.5537 2.5537 3.0453 3.0453 3.7043 3.7043 3.8560 3.8560 4.3803 4.3803 4.6519 4.6519 5.9818 5.9818 9.5688 9.5688 13.3978 13.3978 14.0241 14.0241 14.5078 14.5078 k = 0.1552 0.0896 0.2534 ( 1939 PWs) bands (ev): -8.4347 -8.4347 2.2211 2.2211 2.5850 2.5850 3.0706 3.0706 3.7017 3.7017 3.8487 3.8487 4.3733 4.3733 4.6501 4.6501 5.9273 5.9273 9.4377 9.4377 13.5484 13.5484 14.0834 14.0834 14.6112 14.6112 k = 0.1487 0.0859 0.2428 ( 1939 PWs) bands (ev): -8.4487 -8.4487 2.2874 2.2874 2.6180 2.6180 3.0955 3.0955 3.6996 3.6996 3.8414 3.8414 4.3666 4.3666 4.6473 4.6473 5.8697 5.8697 9.3062 9.3062 13.6997 13.6997 14.1483 14.1483 14.7214 14.7214 k = 0.1422 0.0821 0.2323 ( 1945 PWs) bands (ev): -8.4626 -8.4626 2.3559 2.3559 2.6525 2.6525 3.1199 3.1199 3.6982 3.6982 3.8343 3.8343 4.3599 4.3599 4.6436 4.6436 5.8093 5.8093 9.1743 9.1743 13.8510 13.8510 14.2193 14.2193 14.8382 14.8382 k = 0.1358 0.0784 0.2217 ( 1943 PWs) bands (ev): -8.4763 -8.4763 2.4267 2.4267 2.6885 2.6885 3.1436 3.1436 3.6975 3.6975 3.8274 3.8274 4.3538 4.3538 4.6390 4.6390 5.7466 5.7466 9.0422 9.0422 14.0012 14.0012 14.2975 14.2975 14.9611 14.9611 k = 0.1293 0.0747 0.2112 ( 1943 PWs) bands (ev): -8.4898 -8.4898 2.4992 2.4992 2.7260 2.7260 3.1668 3.1668 3.6975 3.6975 3.8210 3.8210 4.3480 4.3480 4.6336 4.6336 5.6817 5.6817 8.9101 8.9101 14.1482 14.1482 14.3842 14.3842 15.0900 15.0900 k = 0.1228 0.0709 0.2006 ( 1943 PWs) bands (ev): -8.5029 -8.5029 2.5732 2.5732 2.7648 2.7648 3.1892 3.1892 3.6982 3.6982 3.8151 3.8151 4.3427 4.3427 4.6274 4.6274 5.6151 5.6151 8.7782 8.7782 14.2888 14.2888 14.4824 14.4824 15.2245 15.2245 k = 0.1164 0.0672 0.1900 ( 1943 PWs) bands (ev): -8.5158 -8.5158 2.6480 2.6480 2.8048 2.8048 3.2110 3.2110 3.6999 3.6999 3.8098 3.8098 4.3378 4.3378 4.6206 4.6206 5.5471 5.5471 8.6468 8.6468 14.4190 14.4190 14.5955 14.5955 15.3642 15.3642 k = 0.1099 0.0635 0.1795 ( 1943 PWs) bands (ev): -8.5282 -8.5282 2.7231 2.7231 2.8459 2.8459 3.2320 3.2320 3.7024 3.7024 3.8053 3.8053 4.3334 4.3334 4.6133 4.6133 5.4780 5.4780 8.5162 8.5162 14.5377 14.5377 14.7238 14.7238 15.5087 15.5087 k = 0.1034 0.0597 0.1689 ( 1943 PWs) bands (ev): -8.5402 -8.5402 2.7977 2.7977 2.8883 2.8883 3.2525 3.2525 3.7059 3.7059 3.8018 3.8018 4.3295 4.3295 4.6057 4.6057 5.4082 5.4082 8.3866 8.3866 14.6490 14.6490 14.8628 14.8628 15.6578 15.6578 k = 0.0970 0.0560 0.1584 ( 1945 PWs) bands (ev): -8.5517 -8.5517 2.8702 2.8702 2.9323 2.9323 3.2726 3.2726 3.7104 3.7104 3.7993 3.7993 4.3261 4.3261 4.5980 4.5980 5.3381 5.3381 8.2585 8.2585 14.7575 14.7575 15.0067 15.0067 15.8109 15.8109 k = 0.0905 0.0523 0.1478 ( 1945 PWs) bands (ev): -8.5626 -8.5626 2.9376 2.9376 2.9797 2.9797 3.2929 3.2929 3.7159 3.7159 3.7980 3.7980 4.3230 4.3230 4.5905 4.5905 5.2680 5.2680 8.1322 8.1322 14.8664 14.8664 15.1515 15.1515 15.9677 15.9677 k = 0.0841 0.0485 0.1373 ( 1939 PWs) bands (ev): -8.5730 -8.5730 2.9945 2.9945 3.0344 3.0344 3.3141 3.3141 3.7226 3.7226 3.7981 3.7981 4.3200 4.3200 4.5834 4.5834 5.1984 5.1984 8.0084 8.0084 14.9768 14.9768 15.2944 15.2944 16.1275 16.1275 k = 0.0776 0.0448 0.1267 ( 1931 PWs) bands (ev): -8.5828 -8.5828 3.0414 3.0414 3.0934 3.0934 3.3378 3.3378 3.7303 3.7303 3.7994 3.7994 4.3167 4.3167 4.5774 4.5774 5.1299 5.1299 7.8874 7.8874 15.0896 15.0896 15.4332 15.4332 16.2892 16.2892 k = 0.0711 0.0411 0.1161 ( 1935 PWs) bands (ev): -8.5919 -8.5919 3.0833 3.0833 3.1486 3.1486 3.3657 3.3657 3.7392 3.7392 3.8018 3.8018 4.3125 4.3125 4.5728 4.5728 5.0629 5.0629 7.7700 7.7700 15.2045 15.2045 15.5660 15.5660 16.3652 16.3652 k = 0.0647 0.0373 0.1056 ( 1931 PWs) bands (ev): -8.6004 -8.6004 3.1222 3.1222 3.1949 3.1949 3.4004 3.4004 3.7493 3.7493 3.8055 3.8055 4.3067 4.3067 4.5703 4.5703 4.9981 4.9981 7.6570 7.6570 15.3216 15.3216 15.6910 15.6910 16.3492 16.3492 k = 0.0582 0.0336 0.0950 ( 1931 PWs) bands (ev): -8.6081 -8.6081 3.1582 3.1582 3.2303 3.2303 3.4428 3.4428 3.7604 3.7604 3.8099 3.8099 4.2985 4.2985 4.5705 4.5705 4.9363 4.9363 7.5491 7.5491 15.4403 15.4403 15.8060 15.8060 16.3340 16.3340 k = 0.0517 0.0299 0.0845 ( 1935 PWs) bands (ev): -8.6152 -8.6152 3.1910 3.1910 3.2558 3.2558 3.4917 3.4917 3.7726 3.7726 3.8149 3.8149 4.2869 4.2869 4.5739 4.5739 4.8782 4.8782 7.4474 7.4474 15.5600 15.5600 15.9094 15.9094 16.3206 16.3206 k = 0.0453 0.0261 0.0739 ( 1937 PWs) bands (ev): -8.6214 -8.6214 3.2201 3.2201 3.2737 3.2737 3.5445 3.5445 3.7853 3.7853 3.8202 3.8202 4.2709 4.2709 4.5805 4.5805 4.8250 4.8250 7.3529 7.3529 15.6795 15.6795 15.9999 15.9999 16.3089 16.3089 k = 0.0388 0.0224 0.0633 ( 1937 PWs) bands (ev): -8.6269 -8.6269 3.2454 3.2454 3.2865 3.2865 3.5989 3.5989 3.7981 3.7981 3.8256 3.8256 4.2501 4.2501 4.5900 4.5900 4.7775 4.7775 7.2669 7.2669 15.7973 15.7973 16.0764 16.0764 16.2994 16.2994 k = 0.0323 0.0187 0.0528 ( 1929 PWs) bands (ev): -8.6315 -8.6315 3.2666 3.2666 3.2959 3.2959 3.6532 3.6532 3.8105 3.8105 3.8308 3.8308 4.2244 4.2244 4.6016 4.6016 4.7367 4.7367 7.1907 7.1907 15.9112 15.9112 16.1384 16.1384 16.2922 16.2922 k = 0.0259 0.0149 0.0422 ( 1929 PWs) bands (ev): -8.6353 -8.6353 3.2836 3.2836 3.3026 3.3026 3.7060 3.7060 3.8216 3.8216 3.8353 3.8353 4.1944 4.1944 4.6140 4.6140 4.7031 4.7031 7.1257 7.1257 16.0175 16.0175 16.1857 16.1857 16.2883 16.2883 k = 0.0194 0.0112 0.0317 ( 1917 PWs) bands (ev): -8.6383 -8.6383 3.2968 3.2968 3.3074 3.3074 3.7558 3.7558 3.8311 3.8311 3.8393 3.8393 4.1618 4.1618 4.6258 4.6258 4.6771 4.6771 7.0733 7.0733 16.1111 16.1111 16.2181 16.2181 16.2894 16.2894 k = 0.0129 0.0075 0.0211 ( 1917 PWs) bands (ev): -8.6405 -8.6405 3.3059 3.3059 3.3106 3.3106 3.7994 3.7994 3.8381 3.8381 3.8422 3.8422 4.1298 4.1298 4.6355 4.6355 4.6586 4.6586 7.0348 7.0348 16.1845 16.1845 16.2355 16.2355 16.2973 16.2973 k = 0.0065 0.0037 0.0106 ( 1917 PWs) bands (ev): -8.6418 -8.6418 3.3112 3.3112 3.3124 3.3124 3.8315 3.8315 3.8425 3.8425 3.8440 3.8440 4.1043 4.1043 4.6418 4.6418 4.6477 4.6477 7.0112 7.0112 16.2296 16.2296 16.2423 16.2423 16.3090 16.3090 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -8.6422 -8.6422 3.3130 3.3130 3.3130 3.3130 3.8439 3.8439 3.8439 3.8439 3.8447 3.8447 4.0941 4.0941 4.6441 4.6441 4.6441 4.6441 7.0033 7.0033 16.2439 16.2439 16.2439 16.2439 16.3152 16.3152 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -8.6422 -8.6422 3.3130 3.3130 3.3130 3.3130 3.8439 3.8439 3.8439 3.8439 3.8447 3.8447 4.0941 4.0941 4.6441 4.6441 4.6441 4.6441 7.0033 7.0033 16.2439 16.2439 16.2439 16.2439 16.3152 16.3152 k = 0.0104 0.0060 0.0043 ( 1917 PWs) bands (ev): -8.6418 -8.6418 3.3116 3.3116 3.3121 3.3121 3.8323 3.8323 3.8422 3.8422 3.8439 3.8439 4.1041 4.1041 4.6415 4.6415 4.6480 4.6480 7.0110 7.0110 16.2289 16.2289 16.2434 16.2434 16.3093 16.3093 k = 0.0208 0.0120 0.0085 ( 1917 PWs) bands (ev): -8.6405 -8.6405 3.3073 3.3073 3.3095 3.3095 3.8019 3.8019 3.8371 3.8371 3.8418 3.8418 4.1290 4.1290 4.6344 4.6344 4.6597 4.6597 7.0339 7.0339 16.1803 16.1803 16.2416 16.2416 16.2978 16.2978 k = 0.0312 0.0180 0.0128 ( 1917 PWs) bands (ev): -8.6384 -8.6384 3.3000 3.3000 3.3049 3.3049 3.7605 3.7605 3.8293 3.8293 3.8380 3.8380 4.1601 4.1601 4.6249 4.6249 4.6786 4.6786 7.0713 7.0713 16.1006 16.1006 16.2383 16.2383 16.2852 16.2852 k = 0.0417 0.0241 0.0170 ( 1926 PWs) bands (ev): -8.6355 -8.6355 3.2897 3.2897 3.2981 3.2981 3.7130 3.7130 3.8193 3.8193 3.8326 3.8326 4.1904 4.1904 4.6163 4.6163 4.7041 4.7041 7.1220 7.1220 15.9984 15.9984 16.2327 16.2327 16.2697 16.2697 k = 0.0521 0.0301 0.0213 ( 1926 PWs) bands (ev): -8.6318 -8.6318 3.2764 3.2764 3.2891 3.2891 3.6621 3.6621 3.8083 3.8083 3.8254 3.8254 4.2147 4.2147 4.6129 4.6129 4.7352 4.7352 7.1847 7.1847 15.8815 15.8815 16.2242 16.2242 16.2489 16.2489 k = 0.0625 0.0361 0.0255 ( 1938 PWs) bands (ev): -8.6273 -8.6273 3.2598 3.2598 3.2772 3.2772 3.6088 3.6088 3.7968 3.7968 3.8162 3.8162 4.2293 4.2293 4.6192 4.6192 4.7712 4.7712 7.2579 7.2579 15.7549 15.7549 16.2113 16.2113 16.2208 16.2208 k = 0.0729 0.0421 0.0298 ( 1938 PWs) bands (ev): -8.6219 -8.6219 3.2404 3.2404 3.2625 3.2625 3.5537 3.5537 3.7859 3.7859 3.8054 3.8054 4.2330 4.2330 4.6375 4.6375 4.8113 4.8113 7.3402 7.3402 15.6224 15.6224 16.1836 16.1836 16.1927 16.1927 k = 0.0833 0.0481 0.0340 ( 1938 PWs) bands (ev): -8.6158 -8.6158 3.2181 3.2181 3.2444 3.2444 3.4966 3.4966 3.7760 3.7760 3.7929 3.7929 4.2277 4.2277 4.6676 4.6676 4.8548 4.8548 7.4302 7.4302 15.4861 15.4861 16.1355 16.1355 16.1666 16.1666 k = 0.0938 0.0541 0.0383 ( 1946 PWs) bands (ev): -8.6090 -8.6090 3.1928 3.1928 3.2228 3.2228 3.4371 3.4371 3.7673 3.7673 3.7791 3.7791 4.2168 4.2168 4.7069 4.7069 4.9010 4.9010 7.5268 7.5268 15.3479 15.3479 16.0755 16.0755 16.1312 16.1312 k = 0.1042 0.0601 0.0425 ( 1946 PWs) bands (ev): -8.6014 -8.6014 3.1653 3.1653 3.1975 3.1975 3.3750 3.3750 3.7603 3.7603 3.7649 3.7649 4.2039 4.2039 4.7529 4.7529 4.9496 4.9496 7.6286 7.6286 15.2084 15.2084 16.0035 16.0035 16.0850 16.0850 k = 0.1146 0.0662 0.0468 ( 1946 PWs) bands (ev): -8.5932 -8.5932 3.1356 3.1356 3.1688 3.1688 3.3100 3.3100 3.7510 3.7510 3.7550 3.7550 4.1913 4.1913 4.8035 4.8035 4.9999 4.9999 7.7348 7.7348 15.0692 15.0692 15.9204 15.9204 16.0270 16.0270 k = 0.1250 0.0722 0.0510 ( 1940 PWs) bands (ev): -8.5842 -8.5842 3.1040 3.1040 3.1367 3.1367 3.2419 3.2419 3.7384 3.7384 3.7514 3.7514 4.1806 4.1806 4.8571 4.8571 5.0517 5.0517 7.8445 7.8445 14.9309 14.9309 15.8276 15.8276 15.9572 15.9572 k = 0.1354 0.0782 0.0553 ( 1934 PWs) bands (ev): -8.5746 -8.5746 3.0710 3.0710 3.1012 3.1012 3.1712 3.1712 3.7273 3.7273 3.7493 3.7493 4.1722 4.1722 4.9127 4.9127 5.1047 5.1047 7.9568 7.9568 14.7939 14.7939 15.7268 15.7268 15.8762 15.8762 k = 0.1458 0.0842 0.0595 ( 1934 PWs) bands (ev): -8.5644 -8.5644 3.0367 3.0367 3.0604 3.0604 3.1003 3.1003 3.7184 3.7184 3.7486 3.7486 4.1664 4.1664 4.9696 4.9696 5.1585 5.1585 8.0710 8.0710 14.6588 14.6588 15.6200 15.6200 15.7857 15.7857 k = 0.1562 0.0902 0.0638 ( 1934 PWs) bands (ev): -8.5536 -8.5536 3.0015 3.0015 3.0034 3.0034 3.0413 3.0413 3.7117 3.7117 3.7492 3.7492 4.1629 4.1629 5.0273 5.0273 5.2130 5.2130 8.1865 8.1865 14.5259 14.5259 15.5088 15.5088 15.6874 15.6874 k = 0.1667 0.0962 0.0680 ( 1931 PWs) bands (ev): -8.5423 -8.5423 2.9284 2.9284 2.9658 2.9658 2.9971 2.9971 3.7071 3.7071 3.7511 3.7511 4.1617 4.1617 5.0855 5.0855 5.2679 5.2679 8.3027 8.3027 14.3956 14.3956 15.3946 15.3946 15.5833 15.5833 k = 0.1771 0.1022 0.0723 ( 1937 PWs) bands (ev): -8.5306 -8.5306 2.8476 2.8476 2.9297 2.9297 2.9560 2.9560 3.7044 3.7044 3.7539 3.7539 4.1622 4.1622 5.1437 5.1437 5.3229 5.3229 8.4190 8.4190 14.2685 14.2685 15.2786 15.2786 15.4750 15.4750 k = 0.1875 0.1083 0.0765 ( 1937 PWs) bands (ev): -8.5183 -8.5183 2.7647 2.7647 2.8935 2.8935 2.9157 2.9157 3.7036 3.7036 3.7577 3.7577 4.1644 4.1644 5.2019 5.2019 5.3781 5.3781 8.5348 8.5348 14.1447 14.1447 15.1617 15.1617 15.3640 15.3640 k = 0.1979 0.1143 0.0808 ( 1937 PWs) bands (ev): -8.5057 -8.5057 2.6808 2.6808 2.8574 2.8574 2.8759 2.8759 3.7044 3.7044 3.7623 3.7623 4.1680 4.1680 5.2599 5.2599 5.4331 5.4331 8.6496 8.6496 14.0246 14.0246 15.0449 15.0449 15.2516 15.2516 k = 0.2083 0.1203 0.0851 ( 1943 PWs) bands (ev): -8.4927 -8.4927 2.5966 2.5966 2.8216 2.8216 2.8365 2.8365 3.7064 3.7064 3.7675 3.7675 4.1728 4.1728 5.3175 5.3175 5.4879 5.4879 8.7630 8.7630 13.9086 13.9086 14.9286 14.9286 15.1385 15.1385 k = 0.2188 0.1263 0.0893 ( 1943 PWs) bands (ev): -8.4794 -8.4794 2.5126 2.5126 2.7863 2.7863 2.7977 2.7977 3.7097 3.7097 3.7734 3.7734 4.1786 4.1786 5.3745 5.3745 5.5423 5.5423 8.8743 8.8743 13.7971 13.7971 14.8135 14.8135 15.0258 15.0258 k = 0.2292 0.1323 0.0936 ( 1943 PWs) bands (ev): -8.4658 -8.4658 2.4291 2.4291 2.7515 2.7515 2.7597 2.7597 3.7140 3.7140 3.7799 3.7799 4.1853 4.1853 5.4307 5.4307 5.5962 5.5962 8.9831 8.9831 13.6904 13.6904 14.6999 14.6999 14.9140 14.9140 k = 0.2396 0.1383 0.0978 ( 1943 PWs) bands (ev): -8.4521 -8.4521 2.3467 2.3467 2.7173 2.7173 2.7225 2.7225 3.7191 3.7191 3.7867 3.7867 4.1927 4.1927 5.4862 5.4862 5.6495 5.6495 9.0889 9.0889 13.5888 13.5888 14.5883 14.5883 14.8036 14.8036 k = 0.2500 0.1443 0.1021 ( 1934 PWs) bands (ev): -8.4382 -8.4382 2.2655 2.2655 2.6841 2.6841 2.6864 2.6864 3.7250 3.7250 3.7940 3.7940 4.2008 4.2008 5.5408 5.5408 5.7020 5.7020 9.1912 9.1912 13.4927 13.4927 14.4789 14.4789 14.6951 14.6951 k = 0.2604 0.1504 0.1063 ( 1940 PWs) bands (ev): -8.4242 -8.4242 2.1860 2.1860 2.6512 2.6512 2.6516 2.6516 3.7313 3.7313 3.8014 3.8014 4.2094 4.2094 5.5943 5.5943 5.7535 5.7535 9.2894 9.2894 13.4023 13.4023 14.3720 14.3720 14.5888 14.5888 k = 0.2708 0.1564 0.1106 ( 1934 PWs) bands (ev): -8.4102 -8.4102 2.1082 2.1082 2.6172 2.6172 2.6201 2.6201 3.7382 3.7382 3.8091 3.8091 4.2184 4.2184 5.6466 5.6466 5.8042 5.8042 9.3831 9.3831 13.3181 13.3181 14.2679 14.2679 14.4851 14.4851 k = 0.2812 0.1624 0.1148 ( 1934 PWs) bands (ev): -8.3963 -8.3963 2.0326 2.0326 2.5844 2.5844 2.5896 2.5896 3.7454 3.7454 3.8169 3.8169 4.2277 4.2277 5.6977 5.6977 5.8536 5.8536 9.4717 9.4717 13.2403 13.2403 14.1669 14.1669 14.3842 14.3842 k = 0.2917 0.1684 0.1191 ( 1928 PWs) bands (ev): -8.3824 -8.3824 1.9593 1.9593 2.5529 2.5529 2.5602 2.5602 3.7528 3.7528 3.8248 3.8248 4.2373 4.2373 5.7474 5.7474 5.9019 5.9019 9.5549 9.5549 13.1691 13.1691 14.0690 14.0690 14.2863 14.2863 k = 0.3021 0.1744 0.1233 ( 1928 PWs) bands (ev): -8.3687 -8.3687 1.8884 1.8884 2.5226 2.5226 2.5319 2.5319 3.7604 3.7604 3.8327 3.8327 4.2472 4.2472 5.7956 5.7956 5.9487 5.9487 9.6323 9.6323 13.1049 13.1049 13.9745 13.9745 14.1917 14.1917 k = 0.3125 0.1804 0.1276 ( 1931 PWs) bands (ev): -8.3552 -8.3552 1.8201 1.8201 2.4937 2.4937 2.5048 2.5048 3.7681 3.7681 3.8405 3.8405 4.2568 4.2568 5.8422 5.8422 5.9941 5.9941 9.7034 9.7034 13.0475 13.0475 13.8836 13.8836 14.1007 14.1007 k = 0.3229 0.1864 0.1318 ( 1931 PWs) bands (ev): -8.3420 -8.3420 1.7547 1.7547 2.4662 2.4662 2.4790 2.4790 3.7758 3.7758 3.8482 3.8482 4.2667 4.2667 5.8871 5.8871 6.0379 6.0379 9.7681 9.7681 12.9973 12.9973 13.7964 13.7964 14.0134 14.0134 k = 0.3333 0.1925 0.1361 ( 1940 PWs) bands (ev): -8.3292 -8.3292 1.6922 1.6922 2.4401 2.4401 2.4544 2.4544 3.7833 3.7833 3.8556 3.8556 4.2763 4.2763 5.9302 5.9302 6.0800 6.0800 9.8262 9.8262 12.9540 12.9540 13.7131 13.7131 13.9300 13.9300 k = 0.3438 0.1985 0.1403 ( 1931 PWs) bands (ev): -8.3168 -8.3168 1.6328 1.6328 2.4156 2.4156 2.4314 2.4314 3.7908 3.7908 3.8630 3.8630 4.2860 4.2860 5.9715 5.9715 6.1204 6.1204 9.8777 9.8777 12.9176 12.9176 13.6340 13.6340 13.8507 13.8507 k = 0.3542 0.2045 0.1446 ( 1931 PWs) bands (ev): -8.3048 -8.3048 1.5767 1.5767 2.3924 2.3924 2.4095 2.4095 3.7981 3.7981 3.8701 3.8701 4.2954 4.2954 6.0107 6.0107 6.1588 6.1588 9.9226 9.9226 12.8877 12.8877 13.5591 13.5591 13.7756 13.7756 k = 0.3646 0.2105 0.1488 ( 1928 PWs) bands (ev): -8.2933 -8.2933 1.5239 1.5239 2.3707 2.3707 2.3891 2.3891 3.8053 3.8053 3.8769 3.8769 4.3046 4.3046 6.0477 6.0477 6.1951 6.1951 9.9612 9.9612 12.8641 12.8641 13.4885 13.4885 13.7049 13.7049 k = 0.3750 0.2165 0.1531 ( 1925 PWs) bands (ev): -8.2825 -8.2825 1.4746 1.4746 2.3506 2.3506 2.3700 2.3700 3.8121 3.8121 3.8835 3.8835 4.3134 4.3134 6.0825 6.0825 6.2293 6.2293 9.9938 9.9938 12.8461 12.8461 13.4225 13.4225 13.6387 13.6387 k = 0.3854 0.2225 0.1573 ( 1937 PWs) bands (ev): -8.2723 -8.2723 1.4288 1.4288 2.3319 2.3319 2.3523 2.3523 3.8184 3.8184 3.8895 3.8895 4.3216 4.3216 6.1150 6.1150 6.2612 6.2612 10.0207 10.0207 12.8331 12.8331 13.3610 13.3610 13.5772 13.5772 k = 0.3958 0.2285 0.1616 ( 1937 PWs) bands (ev): -8.2628 -8.2628 1.3867 1.3867 2.3149 2.3149 2.3362 2.3362 3.8245 3.8245 3.8952 3.8952 4.3295 4.3295 6.1450 6.1450 6.2908 6.2908 10.0427 10.0427 12.8246 12.8246 13.3043 13.3043 13.5205 13.5205 k = 0.4062 0.2345 0.1659 ( 1937 PWs) bands (ev): -8.2540 -8.2540 1.3483 1.3483 2.2995 2.2995 2.3215 2.3215 3.8301 3.8301 3.9004 3.9004 4.3368 4.3368 6.1725 6.1725 6.3179 6.3179 10.0601 10.0601 12.8198 12.8198 13.2525 13.2525 13.4688 13.4688 k = 0.4167 0.2406 0.1701 ( 1937 PWs) bands (ev): -8.2460 -8.2460 1.3138 1.3138 2.2856 2.2856 2.3084 2.3084 3.8352 3.8352 3.9052 3.9052 4.3435 4.3435 6.1974 6.1974 6.3424 6.3424 10.0737 10.0737 12.8180 12.8180 13.2056 13.2056 13.4222 13.4222 k = 0.4271 0.2466 0.1744 ( 1937 PWs) bands (ev): -8.2389 -8.2389 1.2831 1.2831 2.2734 2.2734 2.2967 2.2967 3.8398 3.8398 3.9095 3.9095 4.3496 4.3496 6.2196 6.2196 6.3643 6.3643 10.0840 10.0840 12.8185 12.8185 13.1638 13.1638 13.3808 13.3808 k = 0.4375 0.2526 0.1786 ( 1931 PWs) bands (ev): -8.2326 -8.2326 1.2564 1.2564 2.2627 2.2627 2.2866 2.2866 3.8440 3.8440 3.9135 3.9135 4.3550 4.3550 6.2390 6.2390 6.3834 6.3834 10.0916 10.0916 12.8206 12.8206 13.1272 13.1272 13.3447 13.3447 k = 0.4479 0.2586 0.1829 ( 1931 PWs) bands (ev): -8.2272 -8.2272 1.2338 1.2338 2.2537 2.2537 2.2780 2.2780 3.8475 3.8475 3.9167 3.9167 4.3596 4.3596 6.2555 6.2555 6.3998 6.3998 10.0970 10.0970 12.8237 12.8237 13.0958 13.0958 13.3140 13.3140 k = 0.4583 0.2646 0.1871 ( 1931 PWs) bands (ev): -8.2228 -8.2228 1.2152 1.2152 2.2463 2.2463 2.2710 2.2710 3.8504 3.8504 3.9194 3.9194 4.3634 4.3634 6.2691 6.2691 6.4132 6.4132 10.1008 10.1008 12.8272 12.8272 13.0698 13.0698 13.2888 13.2888 k = 0.4688 0.2706 0.1914 ( 1931 PWs) bands (ev): -8.2193 -8.2193 1.2006 1.2006 2.2406 2.2406 2.2655 2.2655 3.8527 3.8527 3.9215 3.9215 4.3664 4.3664 6.2798 6.2798 6.4237 6.4237 10.1033 10.1033 12.8306 12.8306 13.0493 13.0493 13.2691 13.2691 k = 0.4792 0.2766 0.1956 ( 1931 PWs) bands (ev): -8.2168 -8.2168 1.1902 1.1902 2.2364 2.2364 2.2616 2.2616 3.8543 3.8543 3.9230 3.9230 4.3686 4.3686 6.2874 6.2874 6.4313 6.4313 10.1049 10.1049 12.8334 12.8334 13.0345 13.0345 13.2550 13.2550 k = 0.4896 0.2827 0.1999 ( 1931 PWs) bands (ev): -8.2153 -8.2153 1.1840 1.1840 2.2340 2.2340 2.2592 2.2592 3.8553 3.8553 3.9239 3.9239 4.3699 4.3699 6.2920 6.2920 6.4358 6.4358 10.1057 10.1057 12.8353 12.8353 13.0256 13.0256 13.2465 13.2465 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -8.2148 -8.2148 1.1820 1.1820 2.2333 2.2333 2.2585 2.2585 3.8558 3.8558 3.9243 3.9243 4.3706 4.3706 6.2936 6.2936 6.4374 6.4374 10.1060 10.1060 12.8360 12.8360 13.0226 13.0226 13.2437 13.2437 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -8.2148 -8.2148 1.1820 1.1820 2.2333 2.2333 2.2585 2.2585 3.8558 3.8558 3.9243 3.9243 4.3706 4.3706 6.2936 6.2936 6.4374 6.4374 10.1060 10.1060 12.8360 12.8360 13.0226 13.0226 13.2437 13.2437 k = 0.5037 0.2781 0.2101 ( 1927 PWs) bands (ev): -8.2147 -8.2147 1.1831 1.1831 2.2335 2.2335 2.2588 2.2588 3.8555 3.8555 3.9242 3.9242 4.3703 4.3703 6.2905 6.2905 6.4339 6.4339 10.1119 10.1119 12.7869 12.7869 13.0528 13.0528 13.2635 13.2635 k = 0.5074 0.2674 0.2161 ( 1929 PWs) bands (ev): -8.2144 -8.2144 1.1866 1.1866 2.2343 2.2343 2.2598 2.2598 3.8551 3.8551 3.9239 3.9239 4.3698 4.3698 6.2812 6.2812 6.4239 6.4239 10.1294 10.1294 12.6884 12.6884 13.0966 13.0966 13.3211 13.3211 k = 0.5110 0.2568 0.2221 ( 1931 PWs) bands (ev): -8.2139 -8.2139 1.1925 1.1925 2.2357 2.2357 2.2613 2.2613 3.8543 3.8543 3.9235 3.9235 4.3690 4.3690 6.2652 6.2652 6.4080 6.4080 10.1583 10.1583 12.5755 12.5755 13.1311 13.1311 13.4043 13.4043 k = 0.5147 0.2462 0.2281 ( 1931 PWs) bands (ev): -8.2133 -8.2133 1.2007 1.2007 2.2376 2.2376 2.2636 2.2636 3.8533 3.8533 3.9229 3.9229 4.3679 4.3679 6.2417 6.2417 6.3877 6.3877 10.1978 10.1978 12.4573 12.4573 13.1623 13.1623 13.4980 13.4980 k = 0.5184 0.2356 0.2341 ( 1933 PWs) bands (ev): -8.2124 -8.2124 1.2111 1.2111 2.2400 2.2400 2.2664 2.2664 3.8520 3.8520 3.9222 3.9222 4.3666 4.3666 6.2100 6.2100 6.3643 6.3643 10.2472 10.2472 12.3370 12.3370 13.1951 13.1951 13.5933 13.5933 k = 0.5221 0.2250 0.2401 ( 1935 PWs) bands (ev): -8.2114 -8.2114 1.2239 1.2239 2.2429 2.2429 2.2699 2.2699 3.8504 3.8504 3.9214 3.9214 4.3649 4.3649 6.1697 6.1697 6.3390 6.3390 10.3055 10.3055 12.2167 12.2167 13.2319 13.2319 13.6863 13.6863 k = 0.5257 0.2144 0.2461 ( 1935 PWs) bands (ev): -8.2102 -8.2102 1.2389 1.2389 2.2463 2.2463 2.2742 2.2742 3.8484 3.8484 3.9204 3.9204 4.3631 4.3631 6.1213 6.1213 6.3123 6.3123 10.3714 10.3714 12.0975 12.0975 13.2733 13.2733 13.7747 13.7747 k = 0.5294 0.2038 0.2522 ( 1941 PWs) bands (ev): -8.2088 -8.2088 1.2562 1.2562 2.2501 2.2501 2.2790 2.2790 3.8461 3.8461 3.9194 3.9194 4.3609 4.3609 6.0655 6.0655 6.2844 6.2844 10.4435 10.4435 11.9809 11.9809 13.3197 13.3197 13.8571 13.8571 k = 0.5331 0.1932 0.2582 ( 1943 PWs) bands (ev): -8.2073 -8.2073 1.2756 1.2756 2.2544 2.2544 2.2845 2.2845 3.8435 3.8435 3.9183 3.9183 4.3585 4.3585 6.0032 6.0032 6.2552 6.2552 10.5199 10.5199 11.8683 11.8683 13.3712 13.3712 13.9325 13.9325 k = 0.5368 0.1825 0.2642 ( 1942 PWs) bands (ev): -8.2056 -8.2056 1.2971 1.2971 2.2590 2.2590 2.2908 2.2908 3.8406 3.8406 3.9173 3.9173 4.3560 4.3560 5.9357 5.9357 6.2246 6.2246 10.5981 10.5981 11.7620 11.7620 13.4276 13.4276 14.0004 14.0004 k = 0.5404 0.1719 0.2702 ( 1948 PWs) bands (ev): -8.2038 -8.2038 1.3207 1.3207 2.2639 2.2639 2.2977 2.2977 3.8374 3.8374 3.9161 3.9161 4.3533 4.3533 5.8638 5.8638 6.1925 6.1925 10.6742 10.6742 11.6652 11.6652 13.4888 13.4889 14.0606 14.0606 k = 0.5441 0.1613 0.2762 ( 1948 PWs) bands (ev): -8.2019 -8.2019 1.3463 1.3463 2.2692 2.2692 2.3053 2.3053 3.8338 3.8338 3.9150 3.9150 4.3504 4.3504 5.7885 5.7885 6.1589 6.1589 10.7420 10.7420 11.5836 11.5836 13.5546 13.5546 14.1129 14.1129 k = 0.5478 0.1507 0.2822 ( 1948 PWs) bands (ev): -8.1999 -8.1999 1.3739 1.3739 2.2748 2.2748 2.3135 2.3135 3.8300 3.8300 3.9139 3.9139 4.3475 4.3475 5.7107 5.7107 6.1236 6.1236 10.7922 10.7922 11.5261 11.5261 13.6245 13.6245 14.1575 14.1575 k = 0.5515 0.1401 0.2882 ( 1947 PWs) bands (ev): -8.1978 -8.1978 1.4033 1.4033 2.2806 2.2806 2.3225 2.3225 3.8260 3.8260 3.9128 3.9128 4.3444 4.3444 5.6310 5.6310 6.0869 6.0869 10.8131 10.8131 11.5039 11.5039 13.6984 13.6984 14.1948 14.1948 k = 0.5551 0.1295 0.2942 ( 1944 PWs) bands (ev): -8.1956 -8.1956 1.4345 1.4345 2.2866 2.2866 2.3321 2.3321 3.8216 3.8216 3.9117 3.9117 4.3414 4.3414 5.5502 5.5502 6.0487 6.0487 10.7978 10.7978 11.5233 11.5233 13.7758 13.7758 14.2254 14.2254 k = 0.5588 0.1189 0.3002 ( 1938 PWs) bands (ev): -8.1933 -8.1933 1.4674 1.4674 2.2927 2.2927 2.3424 2.3424 3.8171 3.8171 3.9107 3.9107 4.3384 4.3384 5.4687 5.4687 6.0093 6.0093 10.7505 10.7505 11.5796 11.5796 13.8564 13.8564 14.2501 14.2501 k = 0.5625 0.1083 0.3062 ( 1938 PWs) bands (ev): -8.1910 -8.1910 1.5019 1.5019 2.2989 2.2989 2.3533 2.3533 3.8123 3.8123 3.9095 3.9095 4.3353 4.3353 5.3872 5.3872 5.9686 5.9686 10.6819 10.6819 11.6615 11.6615 13.9393 13.9393 14.2700 14.2700 k = 0.5662 0.0976 0.3122 ( 1942 PWs) bands (ev): -8.1886 -8.1886 1.5378 1.5378 2.3050 2.3050 2.3648 2.3648 3.8071 3.8071 3.9083 3.9083 4.3323 4.3323 5.3063 5.3063 5.9268 5.9268 10.6011 10.6011 11.7592 11.7592 14.0235 14.0235 14.2867 14.2867 k = 0.5699 0.0870 0.3182 ( 1946 PWs) bands (ev): -8.1863 -8.1863 1.5751 1.5751 2.3111 2.3111 2.3768 2.3768 3.8018 3.8018 3.9070 3.9070 4.3295 4.3295 5.2263 5.2263 5.8840 5.8840 10.5139 10.5139 11.8664 11.8664 14.1070 14.1070 14.3028 14.3028 k = 0.5735 0.0764 0.3242 ( 1944 PWs) bands (ev): -8.1839 -8.1839 1.6137 1.6137 2.3171 2.3171 2.3895 2.3895 3.7963 3.7963 3.9058 3.9058 4.3269 4.3269 5.1480 5.1480 5.8404 5.8404 10.4238 10.4238 11.9790 11.9790 14.1838 14.1838 14.3249 14.3249 k = 0.5772 0.0658 0.3302 ( 1946 PWs) bands (ev): -8.1816 -8.1816 1.6533 1.6533 2.3228 2.3228 2.4027 2.4027 3.7906 3.7906 3.9043 3.9043 4.3245 4.3245 5.0716 5.0716 5.7960 5.7960 10.3326 10.3326 12.0941 12.0941 14.2398 14.2398 14.3677 14.3677 k = 0.5809 0.0552 0.3362 ( 1944 PWs) bands (ev): -8.1793 -8.1793 1.6939 1.6939 2.3282 2.3282 2.4165 2.4165 3.7848 3.7848 3.9029 3.9029 4.3224 4.3224 4.9977 4.9977 5.7511 5.7511 10.2416 10.2416 12.2099 12.2099 14.2681 14.2681 14.4388 14.4388 k = 0.5846 0.0446 0.3422 ( 1944 PWs) bands (ev): -8.1771 -8.1771 1.7353 1.7353 2.3331 2.3331 2.4308 2.4308 3.7788 3.7788 3.9012 3.9012 4.3205 4.3205 4.9268 4.9268 5.7056 5.7056 10.1516 10.1516 12.3247 12.3247 14.2826 14.2826 14.5248 14.5248 k = 0.5882 0.0340 0.3482 ( 1939 PWs) bands (ev): -8.1750 -8.1750 1.7772 1.7772 2.3375 2.3375 2.4456 2.4456 3.7728 3.7728 3.8995 3.8995 4.3191 4.3191 4.8594 4.8594 5.6598 5.6598 10.0630 10.0630 12.4368 12.4368 14.2934 14.2934 14.6162 14.6162 k = 0.5919 0.0233 0.3542 ( 1935 PWs) bands (ev): -8.1730 -8.1730 1.8196 1.8196 2.3411 2.3411 2.4608 2.4608 3.7665 3.7665 3.8977 3.8977 4.3180 4.3180 4.7959 4.7959 5.6136 5.6136 9.9761 9.9761 12.5450 12.5450 14.3044 14.3044 14.7096 14.7096 k = 0.5956 0.0127 0.3602 ( 1931 PWs) bands (ev): -8.1712 -8.1712 1.8622 1.8622 2.3438 2.3438 2.4765 2.4765 3.7601 3.7601 3.8957 3.8957 4.3172 4.3172 4.7369 4.7369 5.5673 5.5673 9.8913 9.8913 12.6477 12.6477 14.3178 14.3178 14.8033 14.8033 k = 0.5993 0.0021 0.3662 ( 1930 PWs) bands (ev): -8.1695 -8.1695 1.9048 1.9048 2.3456 2.3456 2.4926 2.4926 3.7535 3.7535 3.8936 3.8936 4.3166 4.3166 4.6827 4.6827 5.5210 5.5210 9.8087 9.8087 12.7437 12.7437 14.3348 14.3348 14.8964 14.8964 k = 0.6029-0.0085 0.3722 ( 1924 PWs) bands (ev): -8.1680 -8.1680 1.9471 1.9471 2.3464 2.3464 2.5092 2.5092 3.7469 3.7469 3.8914 3.8914 4.3162 4.3162 4.6340 4.6340 5.4747 5.4747 9.7285 9.7285 12.8319 12.8319 14.3561 14.3561 14.9881 14.9881 k = 0.6066-0.0191 0.3782 ( 1920 PWs) bands (ev): -8.1667 -8.1667 1.9888 1.9888 2.3461 2.3461 2.5261 2.5261 3.7401 3.7401 3.8891 3.8891 4.3157 4.3157 4.5912 4.5912 5.4284 5.4284 9.6509 9.6509 12.9113 12.9113 14.3822 14.3822 15.0778 15.0778 k = 0.6103-0.0297 0.3842 ( 1918 PWs) bands (ev): -8.1656 -8.1656 2.0295 2.0295 2.3448 2.3448 2.5435 2.5435 3.7332 3.7332 3.8870 3.8870 4.3147 4.3147 4.5549 4.5549 5.3824 5.3824 9.5759 9.5759 12.9813 12.9813 14.4129 14.4129 15.1649 15.1649 k = 0.6140-0.0403 0.3902 ( 1920 PWs) bands (ev): -8.1648 -8.1648 2.0686 2.0686 2.3429 2.3429 2.5611 2.5611 3.7264 3.7264 3.8849 3.8849 4.3126 4.3126 4.5257 4.5257 5.3367 5.3367 9.5037 9.5037 13.0418 13.0418 14.4472 14.4472 15.2488 15.2488 k = 0.6176-0.0509 0.3962 ( 1924 PWs) bands (ev): -8.1642 -8.1642 2.1051 2.1051 2.3411 2.3411 2.5791 2.5791 3.7196 3.7196 3.8830 3.8830 4.3091 4.3091 4.5042 4.5042 5.2913 5.2913 9.4343 9.4343 13.0930 13.0930 14.4840 14.4840 15.3292 15.3292 k = 0.6213-0.0616 0.4022 ( 1926 PWs) bands (ev): -8.1640 -8.1640 2.1374 2.1374 2.3407 2.3407 2.5975 2.5975 3.7129 3.7129 3.8815 3.8815 4.3039 4.3039 4.4906 4.4906 5.2465 5.2465 9.3681 9.3681 13.1357 13.1357 14.5213 14.5213 15.4056 15.4056 k = 0.6250-0.0722 0.4082 ( 1926 PWs) bands (ev): -8.1640 -8.1640 2.1632 2.1632 2.3442 2.3442 2.6162 2.6162 3.7064 3.7064 3.8806 3.8806 4.2970 4.2970 4.4847 4.4847 5.2022 5.2022 9.3050 9.3050 13.1709 13.1709 14.5572 14.5572 15.4777 15.4777 k = 0.6250-0.0722 0.4082 ( 1926 PWs) bands (ev): -8.1640 -8.1640 2.1632 2.1632 2.3442 2.3442 2.6162 2.6162 3.7064 3.7064 3.8806 3.8806 4.2970 4.2970 4.4847 4.4847 5.2022 5.2022 9.3050 9.3050 13.1709 13.1709 14.5572 14.5572 15.4777 15.4777 k = 0.6188-0.0686 0.4185 ( 1926 PWs) bands (ev): -8.1640 -8.1640 2.1634 2.1634 2.3443 2.3443 2.6162 2.6162 3.7067 3.7067 3.8810 3.8810 4.2970 4.2970 4.4840 4.4840 5.1998 5.1998 9.3097 9.3097 13.1719 13.1719 14.5553 14.5553 15.4603 15.4603 k = 0.6125-0.0650 0.4287 ( 1926 PWs) bands (ev): -8.1638 -8.1638 2.1640 2.1640 2.3446 2.3446 2.6161 2.6161 3.7078 3.7078 3.8823 3.8823 4.2968 4.2968 4.4819 4.4819 5.1927 5.1927 9.3238 9.3238 13.1748 13.1748 14.5498 14.5498 15.4104 15.4104 k = 0.6062-0.0613 0.4389 ( 1922 PWs) bands (ev): -8.1635 -8.1635 2.1649 2.1649 2.3451 2.3451 2.6160 2.6160 3.7096 3.7096 3.8845 3.8845 4.2966 4.2966 4.4783 4.4783 5.1812 5.1812 9.3468 9.3468 13.1798 13.1798 14.5406 14.5406 15.3345 15.3345 k = 0.6000-0.0577 0.4491 ( 1921 PWs) bands (ev): -8.1632 -8.1632 2.1662 2.1662 2.3458 2.3458 2.6157 2.6157 3.7119 3.7119 3.8876 3.8876 4.2962 4.2962 4.4734 4.4734 5.1657 5.1657 9.3782 9.3782 13.1868 13.1868 14.5279 14.5279 15.2398 15.2398 k = 0.5938-0.0541 0.4593 ( 1923 PWs) bands (ev): -8.1627 -8.1627 2.1678 2.1678 2.3467 2.3467 2.6153 2.6153 3.7146 3.7146 3.8916 3.8916 4.2957 4.2957 4.4668 4.4668 5.1468 5.1468 9.4173 9.4173 13.1958 13.1958 14.5118 14.5118 15.1327 15.1327 k = 0.5875-0.0505 0.4695 ( 1925 PWs) bands (ev): -8.1622 -8.1622 2.1696 2.1696 2.3480 2.3480 2.6148 2.6148 3.7176 3.7176 3.8966 3.8966 4.2951 4.2951 4.4589 4.4589 5.1253 5.1253 9.4632 9.4632 13.2068 13.2068 14.4923 14.4923 15.0184 15.0184 k = 0.5813-0.0469 0.4797 ( 1929 PWs) bands (ev): -8.1616 -8.1616 2.1716 2.1716 2.3496 2.3496 2.6141 2.6141 3.7207 3.7207 3.9026 3.9026 4.2944 4.2944 4.4493 4.4493 5.1019 5.1019 9.5148 9.5148 13.2200 13.2200 14.4696 14.4696 14.9008 14.9008 k = 0.5750-0.0433 0.4899 ( 1925 PWs) bands (ev): -8.1609 -8.1609 2.1738 2.1738 2.3516 2.3516 2.6131 2.6131 3.7237 3.7237 3.9098 3.9098 4.2936 4.2936 4.4384 4.4384 5.0775 5.0775 9.5709 9.5709 13.2352 13.2352 14.4438 14.4438 14.7829 14.7829 k = 0.5687-0.0397 0.5001 ( 1923 PWs) bands (ev): -8.1601 -8.1601 2.1762 2.1762 2.3540 2.3540 2.6118 2.6118 3.7265 3.7265 3.9179 3.9179 4.2926 4.2926 4.4262 4.4262 5.0528 5.0528 9.6302 9.6302 13.2526 13.2526 14.4146 14.4146 14.6674 14.6674 k = 0.5625-0.0361 0.5103 ( 1925 PWs) bands (ev): -8.1594 -8.1594 2.1785 2.1785 2.3569 2.3569 2.6101 2.6101 3.7289 3.7289 3.9269 3.9269 4.2914 4.2914 4.4127 4.4127 5.0285 5.0285 9.6914 9.6914 13.2719 13.2719 14.3816 14.3816 14.5572 14.5572 k = 0.5563-0.0325 0.5205 ( 1925 PWs) bands (ev): -8.1586 -8.1586 2.1808 2.1808 2.3603 2.3603 2.6079 2.6079 3.7309 3.7309 3.9367 3.9367 4.2899 4.2899 4.3984 4.3984 5.0054 5.0054 9.7531 9.7531 13.2933 13.2933 14.3423 14.3423 14.4565 14.4565 k = 0.5500-0.0289 0.5307 ( 1923 PWs) bands (ev): -8.1578 -8.1578 2.1831 2.1831 2.3641 2.3641 2.6052 2.6052 3.7325 3.7325 3.9470 3.9470 4.2881 4.2881 4.3838 4.3838 4.9840 4.9840 9.8137 9.8137 13.3164 13.3164 14.2898 14.2898 14.3746 14.3746 k = 0.5437-0.0253 0.5409 ( 1931 PWs) bands (ev): -8.1570 -8.1570 2.1853 2.1853 2.3684 2.3684 2.6020 2.6020 3.7334 3.7334 3.9576 3.9576 4.2857 4.2857 4.3693 4.3693 4.9645 4.9645 9.8717 9.8717 13.3409 13.3409 14.2199 14.2199 14.3173 14.3173 k = 0.5375-0.0217 0.5511 ( 1931 PWs) bands (ev): -8.1562 -8.1562 2.1874 2.1874 2.3731 2.3731 2.5983 2.5983 3.7339 3.7339 3.9682 3.9682 4.2827 4.2827 4.3560 4.3560 4.9475 4.9475 9.9257 9.9257 13.3662 13.3662 14.1463 14.1463 14.2733 14.2733 k = 0.5312-0.0180 0.5613 ( 1929 PWs) bands (ev): -8.1556 -8.1556 2.1893 2.1893 2.3779 2.3779 2.5941 2.5941 3.7341 3.7341 3.9783 3.9783 4.2789 4.2789 4.3446 4.3446 4.9330 4.9330 9.9741 9.9741 13.3911 13.3911 14.0808 14.0808 14.2334 14.2334 k = 0.5250-0.0144 0.5715 ( 1929 PWs) bands (ev): -8.1549 -8.1549 2.1911 2.1911 2.3827 2.3827 2.5897 2.5897 3.7339 3.7339 3.9874 3.9874 4.2742 4.2742 4.3356 4.3356 4.9212 4.9212 10.0157 10.0157 13.4142 13.4142 14.0286 14.0286 14.1951 14.1951 k = 0.5188-0.0108 0.5818 ( 1927 PWs) bands (ev): -8.1544 -8.1544 2.1926 2.1926 2.3871 2.3871 2.5853 2.5853 3.7336 3.7336 3.9950 3.9950 4.2692 4.2692 4.3292 4.3292 4.9121 4.9121 10.0493 10.0493 13.4336 13.4336 13.9929 13.9929 14.1580 14.1580 k = 0.5125-0.0072 0.5920 ( 1921 PWs) bands (ev): -8.1540 -8.1540 2.1940 2.1940 2.3908 2.3908 2.5815 2.5815 3.7333 3.7333 4.0008 4.0008 4.2649 4.2649 4.3253 4.3253 4.9056 4.9056 10.0739 10.0739 13.4474 13.4474 13.9757 13.9757 14.1230 14.1230 k = 0.5062-0.0036 0.6022 ( 1912 PWs) bands (ev): -8.1538 -8.1538 2.1949 2.1949 2.3933 2.3933 2.5788 2.5788 3.7330 3.7330 4.0045 4.0045 4.2619 4.2619 4.3234 4.3234 4.9018 4.9018 10.0889 10.0889 13.4549 13.4549 13.9750 13.9750 14.0931 14.0931 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -8.1537 -8.1537 2.1953 2.1953 2.3941 2.3941 2.5777 2.5777 3.7329 3.7329 4.0056 4.0056 4.2608 4.2608 4.3228 4.3228 4.9005 4.9005 10.0939 10.0939 13.4569 13.4569 13.9799 13.9799 14.0785 14.0785 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -8.1537 -8.1537 2.1953 2.1953 2.3941 2.3941 2.5777 2.5777 3.7329 3.7329 4.0056 4.0056 4.2608 4.2608 4.3228 4.3228 4.9005 4.9005 10.0939 10.0939 13.4569 13.4569 13.9799 13.9799 14.0785 14.0785 k = 0.5000 0.0074 0.6019 ( 1912 PWs) bands (ev): -8.1538 -8.1538 2.1925 2.1925 2.3944 2.3944 2.5767 2.5767 3.7333 3.7333 4.0038 4.0038 4.2631 4.2631 4.3246 4.3246 4.9043 4.9043 10.0956 10.0956 13.4390 13.4390 13.9867 13.9867 14.0878 14.0878 k = 0.5000 0.0148 0.5914 ( 1920 PWs) bands (ev): -8.1541 -8.1541 2.1844 2.1844 2.3949 2.3949 2.5735 2.5735 3.7343 3.7343 3.9985 3.9985 4.2687 4.2687 4.3308 4.3308 4.9154 4.9154 10.1008 10.1008 13.3901 13.3901 14.0009 14.0009 14.1169 14.1169 k = 0.5000 0.0222 0.5810 ( 1928 PWs) bands (ev): -8.1546 -8.1546 2.1713 2.1713 2.3956 2.3956 2.5684 2.5684 3.7362 3.7362 3.9907 3.9907 4.2757 4.2757 4.3427 4.3427 4.9336 4.9336 10.1094 10.1094 13.3200 13.3200 14.0142 14.0142 14.1639 14.1639 k = 0.5000 0.0296 0.5705 ( 1926 PWs) bands (ev): -8.1553 -8.1553 2.1536 2.1536 2.3961 2.3961 2.5615 2.5615 3.7388 3.7388 3.9814 3.9814 4.2820 4.2820 4.3619 4.3619 4.9588 4.9588 10.1215 10.1215 13.2367 13.2367 14.0259 14.0259 14.2213 14.2213 k = 0.5000 0.0370 0.5600 ( 1926 PWs) bands (ev): -8.1562 -8.1562 2.1317 2.1317 2.3962 2.3962 2.5531 2.5531 3.7418 3.7418 3.9714 3.9714 4.2866 4.2866 4.3880 4.3880 4.9901 4.9901 10.1372 10.1372 13.1451 13.1451 14.0373 14.0373 14.2820 14.2820 k = 0.5000 0.0444 0.5496 ( 1926 PWs) bands (ev): -8.1572 -8.1572 2.1062 2.1062 2.3957 2.3957 2.5434 2.5434 3.7453 3.7453 3.9615 3.9615 4.2901 4.2901 4.4202 4.4202 5.0271 5.0271 10.1565 10.1565 13.0481 13.0481 14.0492 14.0492 14.3412 14.3412 k = 0.5000 0.0518 0.5391 ( 1928 PWs) bands (ev): -8.1585 -8.1585 2.0774 2.0774 2.3944 2.3944 2.5327 2.5327 3.7491 3.7491 3.9520 3.9520 4.2928 4.2928 4.4576 4.4576 5.0691 5.0691 10.1794 10.1794 12.9475 12.9475 14.0622 14.0622 14.3956 14.3956 k = 0.5000 0.0592 0.5286 ( 1928 PWs) bands (ev): -8.1599 -8.1599 2.0458 2.0458 2.3922 2.3922 2.5211 2.5211 3.7531 3.7531 3.9434 3.9434 4.2953 4.2953 4.4994 4.4994 5.1156 5.1156 10.2061 10.2061 12.8445 12.8445 14.0761 14.0761 14.4430 14.4430 k = 0.5000 0.0666 0.5182 ( 1926 PWs) bands (ev): -8.1615 -8.1615 2.0118 2.0118 2.3892 2.3892 2.5089 2.5089 3.7574 3.7574 3.9358 3.9358 4.2975 4.2975 4.5453 4.5453 5.1658 5.1658 10.2365 10.2365 12.7397 12.7397 14.0909 14.0909 14.4813 14.4813 k = 0.5000 0.0740 0.5077 ( 1926 PWs) bands (ev): -8.1632 -8.1632 1.9758 1.9758 2.3853 2.3853 2.4964 2.4964 3.7616 3.7616 3.9292 3.9292 4.2998 4.2998 4.5950 4.5950 5.2191 5.2191 10.2708 10.2708 12.6336 12.6336 14.1065 14.1065 14.5091 14.5091 k = 0.5000 0.0814 0.4972 ( 1924 PWs) bands (ev): -8.1650 -8.1650 1.9381 1.9381 2.3807 2.3807 2.4836 2.4836 3.7659 3.7659 3.9237 3.9237 4.3021 4.3021 4.6483 4.6483 5.2748 5.2748 10.3090 10.3090 12.5266 12.5266 14.1225 14.1225 14.5251 14.5251 k = 0.5000 0.0888 0.4868 ( 1934 PWs) bands (ev): -8.1670 -8.1670 1.8991 1.8991 2.3753 2.3753 2.4706 2.4706 3.7701 3.7701 3.9191 3.9191 4.3043 4.3043 4.7047 4.7047 5.3325 5.3325 10.3512 10.3512 12.4189 12.4189 14.1384 14.1384 14.5285 14.5285 k = 0.5000 0.0962 0.4763 ( 1930 PWs) bands (ev): -8.1691 -8.1691 1.8593 1.8593 2.3694 2.3694 2.4577 2.4577 3.7744 3.7744 3.9155 3.9155 4.3069 4.3069 4.7644 4.7644 5.3915 5.3915 10.3976 10.3976 12.3107 12.3107 14.1541 14.1541 14.5192 14.5192 k = 0.5000 0.1036 0.4658 ( 1930 PWs) bands (ev): -8.1713 -8.1713 1.8188 1.8188 2.3629 2.3629 2.4449 2.4449 3.7788 3.7788 3.9129 3.9129 4.3095 4.3095 4.8269 4.8269 5.4514 5.4514 10.4481 10.4481 12.2022 12.2022 14.1687 14.1687 14.4974 14.4974 k = 0.5000 0.1110 0.4554 ( 1930 PWs) bands (ev): -8.1736 -8.1736 1.7780 1.7780 2.3559 2.3559 2.4322 2.4322 3.7832 3.7832 3.9109 3.9109 4.3122 4.3122 4.8921 4.8921 5.5116 5.5116 10.5029 10.5029 12.0936 12.0936 14.1813 14.1813 14.4643 14.4643 k = 0.5000 0.1184 0.4449 ( 1934 PWs) bands (ev): -8.1759 -8.1759 1.7371 1.7371 2.3487 2.3487 2.4196 2.4196 3.7875 3.7875 3.9096 3.9096 4.3150 4.3150 4.9599 4.9599 5.5718 5.5718 10.5619 10.5619 11.9848 11.9848 14.1905 14.1905 14.4219 14.4219 k = 0.5000 0.1258 0.4344 ( 1930 PWs) bands (ev): -8.1783 -8.1783 1.6966 1.6966 2.3412 2.3412 2.4074 2.4074 3.7920 3.7920 3.9088 3.9088 4.3181 4.3181 5.0300 5.0300 5.6316 5.6316 10.6252 10.6252 11.8761 11.8761 14.1933 14.1933 14.3742 14.3742 k = 0.5000 0.1332 0.4240 ( 1928 PWs) bands (ev): -8.1808 -8.1808 1.6565 1.6565 2.3337 2.3337 2.3954 2.3954 3.7964 3.7964 3.9085 3.9085 4.3212 4.3212 5.1022 5.1022 5.6906 5.6906 10.6928 10.6928 11.7676 11.7676 14.1833 14.1833 14.3286 14.3286 k = 0.5000 0.1406 0.4135 ( 1922 PWs) bands (ev): -8.1832 -8.1832 1.6172 1.6172 2.3260 2.3260 2.3837 2.3837 3.8010 3.8010 3.9087 3.9087 4.3244 4.3244 5.1762 5.1762 5.7484 5.7484 10.7645 10.7645 11.6596 11.6596 14.1505 14.1505 14.2962 14.2962 k = 0.5000 0.1480 0.4030 ( 1920 PWs) bands (ev): -8.1857 -8.1857 1.5787 1.5787 2.3184 2.3184 2.3724 2.3724 3.8055 3.8055 3.9090 3.9090 4.3277 4.3277 5.2517 5.2517 5.8048 5.8048 10.8402 10.8402 11.5525 11.5525 14.0943 14.0943 14.2787 14.2787 k = 0.5000 0.1554 0.3925 ( 1932 PWs) bands (ev): -8.1881 -8.1881 1.5414 1.5414 2.3108 2.3108 2.3614 2.3614 3.8097 3.8097 3.9094 3.9094 4.3309 4.3309 5.3283 5.3283 5.8594 5.8594 10.9190 10.9190 11.4470 11.4470 14.0243 14.0243 14.2673 14.2673 k = 0.5000 0.1628 0.3821 ( 1934 PWs) bands (ev): -8.1906 -8.1906 1.5053 1.5053 2.3034 2.3034 2.3508 2.3508 3.8141 3.8141 3.9101 3.9101 4.3342 4.3342 5.4059 5.4059 5.9121 5.9121 10.9990 10.9990 11.3455 11.3455 13.9481 13.9481 14.2554 14.2554 k = 0.5000 0.1702 0.3716 ( 1936 PWs) bands (ev): -8.1929 -8.1929 1.4706 1.4706 2.2963 2.2963 2.3407 2.3407 3.8183 3.8183 3.9109 3.9109 4.3375 4.3375 5.4841 5.4841 5.9627 5.9627 11.0697 11.0697 11.2586 11.2586 13.8695 13.8695 14.2398 14.2398 k = 0.5000 0.1776 0.3611 ( 1942 PWs) bands (ev): -8.1953 -8.1953 1.4375 1.4375 2.2893 2.2893 2.3310 2.3310 3.8224 3.8224 3.9117 3.9117 4.3407 4.3407 5.5624 5.5624 6.0109 6.0109 11.0728 11.0728 11.2447 11.2447 13.7907 13.7907 14.2187 14.2187 k = 0.5000 0.1850 0.3507 ( 1944 PWs) bands (ev): -8.1975 -8.1975 1.4060 1.4060 2.2827 2.2827 2.3219 2.3219 3.8264 3.8264 3.9127 3.9127 4.3440 4.3440 5.6403 5.6403 6.0568 6.0568 10.9943 10.9943 11.3182 11.3182 13.7132 13.7132 14.1910 14.1910 k = 0.5000 0.1925 0.3402 ( 1940 PWs) bands (ev): -8.1997 -8.1997 1.3763 1.3763 2.2764 2.2764 2.3133 2.3133 3.8304 3.8304 3.9139 3.9139 4.3472 4.3472 5.7173 5.7173 6.1002 6.1002 10.8997 10.8997 11.4138 11.4138 13.6383 13.6383 14.1561 14.1561 k = 0.5000 0.1999 0.3297 ( 1942 PWs) bands (ev): -8.2017 -8.2017 1.3484 1.3484 2.2704 2.2704 2.3052 2.3052 3.8340 3.8340 3.9149 3.9149 4.3502 4.3502 5.7929 5.7929 6.1410 6.1410 10.8038 10.8038 11.5171 11.5171 13.5666 13.5666 14.1133 14.1133 k = 0.5000 0.2073 0.3193 ( 1940 PWs) bands (ev): -8.2037 -8.2037 1.3225 1.3225 2.2648 2.2648 2.2978 2.2978 3.8375 3.8375 3.9161 3.9161 4.3531 4.3531 5.8662 5.8662 6.1793 6.1793 10.7097 10.7097 11.6252 11.6252 13.4989 13.4989 14.0623 14.0623 k = 0.5000 0.2147 0.3088 ( 1940 PWs) bands (ev): -8.2055 -8.2055 1.2986 1.2986 2.2596 2.2596 2.2909 2.2909 3.8406 3.8406 3.9172 3.9172 4.3559 4.3559 5.9366 5.9366 6.2152 6.2152 10.6188 10.6188 11.7371 11.7371 13.4357 13.4357 14.0031 14.0031 k = 0.5000 0.2221 0.2983 ( 1942 PWs) bands (ev): -8.2072 -8.2072 1.2768 1.2768 2.2548 2.2548 2.2847 2.2847 3.8434 3.8434 3.9182 3.9182 4.3584 4.3584 6.0030 6.0030 6.2486 6.2486 10.5323 10.5323 11.8522 11.8522 13.3774 13.3774 13.9357 13.9357 k = 0.5000 0.2295 0.2879 ( 1938 PWs) bands (ev): -8.2087 -8.2087 1.2571 1.2571 2.2504 2.2504 2.2792 2.2792 3.8461 3.8461 3.9194 3.9194 4.3609 4.3609 6.0646 6.0646 6.2800 6.2800 10.4511 10.4511 11.9699 11.9699 13.3243 13.3243 13.8606 13.8606 k = 0.5000 0.2369 0.2774 ( 1938 PWs) bands (ev): -8.2101 -8.2101 1.2397 1.2397 2.2465 2.2465 2.2743 2.2743 3.8483 3.8483 3.9204 3.9204 4.3630 4.3630 6.1201 6.1201 6.3094 6.3094 10.3762 10.3762 12.0897 12.0897 13.2766 13.2766 13.7782 13.7782 k = 0.5000 0.2443 0.2669 ( 1936 PWs) bands (ev): -8.2113 -8.2113 1.2245 1.2245 2.2430 2.2430 2.2700 2.2700 3.8503 3.8503 3.9213 3.9213 4.3649 4.3649 6.1686 6.1686 6.3371 6.3371 10.3086 10.3086 12.2108 12.2108 13.2341 13.2341 13.6897 13.6897 k = 0.5000 0.2517 0.2565 ( 1926 PWs) bands (ev): -8.2124 -8.2124 1.2115 1.2115 2.2401 2.2401 2.2666 2.2666 3.8520 3.8520 3.9222 3.9222 4.3666 4.3666 6.2091 6.2091 6.3632 6.3632 10.2492 10.2492 12.3327 12.3327 13.1967 13.1967 13.5964 13.5964 k = 0.5000 0.2591 0.2460 ( 1928 PWs) bands (ev): -8.2132 -8.2132 1.2009 1.2009 2.2376 2.2376 2.2636 2.2636 3.8533 3.8533 3.9229 3.9229 4.3680 4.3680 6.2410 6.2410 6.3870 6.3870 10.1990 10.1990 12.4540 12.4540 13.1633 13.1633 13.5005 13.5005 k = 0.5000 0.2665 0.2355 ( 1928 PWs) bands (ev): -8.2139 -8.2139 1.1926 1.1926 2.2357 2.2357 2.2614 2.2614 3.8544 3.8544 3.9235 3.9235 4.3691 4.3691 6.2648 6.2648 6.4076 6.4076 10.1590 10.1590 12.5732 12.5732 13.1318 13.1318 13.4061 13.4061 k = 0.5000 0.2739 0.2251 ( 1928 PWs) bands (ev): -8.2144 -8.2144 1.1867 1.1867 2.2343 2.2343 2.2597 2.2597 3.8551 3.8551 3.9239 3.9239 4.3698 4.3698 6.2810 6.2810 6.4237 6.4237 10.1297 10.1297 12.6870 12.6870 13.0971 13.0971 13.3221 13.3221 k = 0.5000 0.2813 0.2146 ( 1928 PWs) bands (ev): -8.2147 -8.2147 1.1831 1.1831 2.2334 2.2334 2.2588 2.2588 3.8555 3.8555 3.9241 3.9241 4.3703 4.3703 6.2905 6.2905 6.4339 6.4339 10.1120 10.1120 12.7864 12.7864 13.0531 13.0531 13.2637 13.2637 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -8.2148 -8.2148 1.1820 1.1820 2.2333 2.2333 2.2585 2.2585 3.8558 3.8558 3.9243 3.9243 4.3706 4.3706 6.2936 6.2936 6.4374 6.4374 10.1060 10.1060 12.8360 12.8360 13.0226 13.0226 13.2437 13.2437 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -8.2148 -8.2148 1.1820 1.1820 2.2333 2.2333 2.2585 2.2585 3.8558 3.8558 3.9243 3.9243 4.3706 4.3706 6.2936 6.2936 6.4374 6.4374 10.1060 10.1060 12.8360 12.8360 13.0226 13.0226 13.2437 13.2437 k = 0.4963 0.2866 0.2161 ( 1927 PWs) bands (ev): -8.2147 -8.2147 1.1831 1.1831 2.2335 2.2335 2.2588 2.2588 3.8555 3.8555 3.9242 3.9242 4.3703 4.3703 6.2905 6.2905 6.4339 6.4339 10.1119 10.1119 12.7869 12.7869 13.0528 13.0528 13.2635 13.2635 k = 0.4926 0.2844 0.2281 ( 1929 PWs) bands (ev): -8.2144 -8.2144 1.1866 1.1866 2.2343 2.2343 2.2598 2.2598 3.8551 3.8551 3.9239 3.9239 4.3698 4.3698 6.2812 6.2812 6.4239 6.4239 10.1294 10.1294 12.6884 12.6884 13.0966 13.0966 13.3211 13.3211 k = 0.4890 0.2823 0.2401 ( 1931 PWs) bands (ev): -8.2139 -8.2139 1.1925 1.1925 2.2357 2.2357 2.2613 2.2613 3.8543 3.8543 3.9235 3.9235 4.3690 4.3690 6.2652 6.2652 6.4080 6.4080 10.1583 10.1583 12.5755 12.5755 13.1311 13.1311 13.4043 13.4043 k = 0.4853 0.2802 0.2522 ( 1931 PWs) bands (ev): -8.2133 -8.2133 1.2007 1.2007 2.2376 2.2376 2.2636 2.2636 3.8533 3.8533 3.9229 3.9229 4.3679 4.3679 6.2417 6.2417 6.3877 6.3877 10.1978 10.1978 12.4573 12.4573 13.1623 13.1623 13.4980 13.4980 k = 0.4816 0.2781 0.2642 ( 1933 PWs) bands (ev): -8.2124 -8.2124 1.2111 1.2111 2.2400 2.2400 2.2664 2.2664 3.8520 3.8520 3.9222 3.9222 4.3666 4.3666 6.2100 6.2100 6.3643 6.3643 10.2472 10.2472 12.3370 12.3370 13.1951 13.1951 13.5933 13.5933 k = 0.4779 0.2759 0.2762 ( 1935 PWs) bands (ev): -8.2114 -8.2114 1.2239 1.2239 2.2429 2.2429 2.2699 2.2699 3.8504 3.8504 3.9214 3.9214 4.3649 4.3649 6.1697 6.1697 6.3390 6.3390 10.3055 10.3055 12.2167 12.2167 13.2319 13.2319 13.6863 13.6863 k = 0.4743 0.2738 0.2882 ( 1935 PWs) bands (ev): -8.2102 -8.2102 1.2389 1.2389 2.2463 2.2463 2.2742 2.2742 3.8484 3.8484 3.9204 3.9204 4.3631 4.3631 6.1213 6.1213 6.3123 6.3123 10.3714 10.3714 12.0975 12.0975 13.2733 13.2733 13.7747 13.7747 k = 0.4706 0.2717 0.3002 ( 1941 PWs) bands (ev): -8.2088 -8.2088 1.2562 1.2562 2.2501 2.2501 2.2790 2.2790 3.8461 3.8461 3.9194 3.9194 4.3609 4.3609 6.0655 6.0655 6.2844 6.2844 10.4435 10.4435 11.9809 11.9809 13.3197 13.3197 13.8571 13.8571 k = 0.4669 0.2696 0.3122 ( 1943 PWs) bands (ev): -8.2073 -8.2073 1.2756 1.2756 2.2544 2.2544 2.2845 2.2845 3.8435 3.8435 3.9183 3.9183 4.3585 4.3585 6.0032 6.0032 6.2552 6.2552 10.5199 10.5199 11.8683 11.8683 13.3712 13.3712 13.9325 13.9325 k = 0.4632 0.2674 0.3242 ( 1942 PWs) bands (ev): -8.2056 -8.2056 1.2971 1.2971 2.2590 2.2590 2.2908 2.2908 3.8406 3.8406 3.9173 3.9173 4.3560 4.3560 5.9357 5.9357 6.2246 6.2246 10.5981 10.5981 11.7620 11.7620 13.4276 13.4276 14.0004 14.0004 k = 0.4596 0.2653 0.3362 ( 1948 PWs) bands (ev): -8.2038 -8.2038 1.3207 1.3207 2.2639 2.2639 2.2977 2.2977 3.8374 3.8374 3.9161 3.9161 4.3533 4.3533 5.8638 5.8638 6.1925 6.1925 10.6742 10.6742 11.6652 11.6652 13.4889 13.4889 14.0606 14.0606 k = 0.4559 0.2632 0.3482 ( 1948 PWs) bands (ev): -8.2019 -8.2019 1.3463 1.3463 2.2692 2.2692 2.3053 2.3053 3.8338 3.8338 3.9150 3.9150 4.3504 4.3504 5.7885 5.7885 6.1589 6.1589 10.7420 10.7420 11.5836 11.5836 13.5546 13.5546 14.1129 14.1129 k = 0.4522 0.2611 0.3602 ( 1948 PWs) bands (ev): -8.1999 -8.1999 1.3739 1.3739 2.2748 2.2748 2.3135 2.3135 3.8300 3.8300 3.9139 3.9139 4.3475 4.3475 5.7107 5.7107 6.1236 6.1236 10.7922 10.7922 11.5261 11.5261 13.6245 13.6245 14.1575 14.1575 k = 0.4485 0.2590 0.3722 ( 1947 PWs) bands (ev): -8.1978 -8.1978 1.4033 1.4033 2.2806 2.2806 2.3225 2.3225 3.8260 3.8260 3.9128 3.9128 4.3444 4.3444 5.6310 5.6310 6.0869 6.0869 10.8131 10.8131 11.5039 11.5039 13.6984 13.6984 14.1948 14.1948 k = 0.4449 0.2568 0.3842 ( 1944 PWs) bands (ev): -8.1956 -8.1956 1.4345 1.4345 2.2866 2.2866 2.3321 2.3321 3.8216 3.8216 3.9117 3.9117 4.3414 4.3414 5.5502 5.5502 6.0487 6.0487 10.7978 10.7978 11.5233 11.5233 13.7758 13.7758 14.2254 14.2254 k = 0.4412 0.2547 0.3962 ( 1938 PWs) bands (ev): -8.1933 -8.1933 1.4674 1.4674 2.2927 2.2927 2.3424 2.3424 3.8171 3.8171 3.9107 3.9107 4.3384 4.3384 5.4687 5.4687 6.0093 6.0093 10.7505 10.7505 11.5796 11.5796 13.8564 13.8564 14.2501 14.2501 k = 0.4375 0.2526 0.4082 ( 1938 PWs) bands (ev): -8.1910 -8.1910 1.5019 1.5019 2.2989 2.2989 2.3533 2.3533 3.8123 3.8123 3.9095 3.9095 4.3353 4.3353 5.3872 5.3872 5.9686 5.9686 10.6819 10.6819 11.6615 11.6615 13.9393 13.9393 14.2700 14.2700 k = 0.4338 0.2505 0.4203 ( 1942 PWs) bands (ev): -8.1886 -8.1886 1.5378 1.5378 2.3050 2.3050 2.3648 2.3648 3.8071 3.8071 3.9083 3.9083 4.3323 4.3323 5.3063 5.3063 5.9268 5.9268 10.6011 10.6011 11.7592 11.7592 14.0235 14.0235 14.2867 14.2867 k = 0.4301 0.2483 0.4323 ( 1946 PWs) bands (ev): -8.1863 -8.1863 1.5751 1.5751 2.3111 2.3111 2.3768 2.3768 3.8018 3.8018 3.9070 3.9070 4.3295 4.3295 5.2263 5.2263 5.8840 5.8840 10.5139 10.5139 11.8664 11.8664 14.1070 14.1070 14.3028 14.3028 k = 0.4265 0.2462 0.4443 ( 1944 PWs) bands (ev): -8.1839 -8.1839 1.6137 1.6137 2.3171 2.3171 2.3895 2.3895 3.7963 3.7963 3.9058 3.9058 4.3269 4.3269 5.1480 5.1480 5.8404 5.8404 10.4238 10.4238 11.9790 11.9790 14.1838 14.1838 14.3249 14.3249 k = 0.4228 0.2441 0.4563 ( 1946 PWs) bands (ev): -8.1816 -8.1816 1.6533 1.6533 2.3228 2.3228 2.4027 2.4027 3.7906 3.7906 3.9043 3.9043 4.3245 4.3245 5.0716 5.0716 5.7960 5.7960 10.3326 10.3326 12.0941 12.0941 14.2398 14.2398 14.3677 14.3677 k = 0.4191 0.2420 0.4683 ( 1944 PWs) bands (ev): -8.1793 -8.1793 1.6939 1.6939 2.3282 2.3282 2.4165 2.4165 3.7848 3.7848 3.9029 3.9029 4.3224 4.3224 4.9977 4.9977 5.7511 5.7511 10.2416 10.2416 12.2099 12.2099 14.2681 14.2681 14.4388 14.4388 k = 0.4154 0.2399 0.4803 ( 1944 PWs) bands (ev): -8.1771 -8.1771 1.7353 1.7353 2.3331 2.3331 2.4308 2.4308 3.7788 3.7788 3.9012 3.9012 4.3205 4.3205 4.9268 4.9268 5.7056 5.7056 10.1516 10.1516 12.3247 12.3247 14.2826 14.2826 14.5248 14.5248 k = 0.4118 0.2377 0.4923 ( 1939 PWs) bands (ev): -8.1750 -8.1750 1.7772 1.7772 2.3375 2.3375 2.4456 2.4456 3.7728 3.7728 3.8995 3.8995 4.3191 4.3191 4.8594 4.8594 5.6598 5.6598 10.0630 10.0630 12.4368 12.4368 14.2934 14.2934 14.6162 14.6162 k = 0.4081 0.2356 0.5043 ( 1935 PWs) bands (ev): -8.1730 -8.1730 1.8196 1.8196 2.3411 2.3411 2.4608 2.4608 3.7665 3.7665 3.8977 3.8977 4.3180 4.3180 4.7959 4.7959 5.6136 5.6136 9.9761 9.9761 12.5450 12.5450 14.3044 14.3044 14.7096 14.7096 k = 0.4044 0.2335 0.5163 ( 1931 PWs) bands (ev): -8.1712 -8.1712 1.8622 1.8622 2.3438 2.3438 2.4765 2.4765 3.7601 3.7601 3.8957 3.8957 4.3172 4.3172 4.7369 4.7369 5.5673 5.5673 9.8913 9.8913 12.6477 12.6477 14.3178 14.3178 14.8033 14.8033 k = 0.4007 0.2314 0.5283 ( 1930 PWs) bands (ev): -8.1695 -8.1695 1.9048 1.9048 2.3456 2.3456 2.4926 2.4926 3.7535 3.7535 3.8936 3.8936 4.3166 4.3166 4.6827 4.6827 5.5210 5.5210 9.8087 9.8087 12.7437 12.7437 14.3348 14.3348 14.8964 14.8964 k = 0.3971 0.2292 0.5403 ( 1924 PWs) bands (ev): -8.1680 -8.1680 1.9471 1.9471 2.3464 2.3464 2.5092 2.5092 3.7469 3.7469 3.8914 3.8914 4.3162 4.3162 4.6340 4.6340 5.4747 5.4747 9.7285 9.7285 12.8319 12.8319 14.3561 14.3561 14.9881 14.9881 k = 0.3934 0.2271 0.5523 ( 1920 PWs) bands (ev): -8.1667 -8.1667 1.9888 1.9888 2.3461 2.3461 2.5261 2.5261 3.7401 3.7401 3.8891 3.8891 4.3157 4.3157 4.5912 4.5912 5.4284 5.4284 9.6509 9.6509 12.9113 12.9113 14.3822 14.3822 15.0778 15.0778 k = 0.3897 0.2250 0.5643 ( 1918 PWs) bands (ev): -8.1656 -8.1656 2.0295 2.0295 2.3448 2.3448 2.5435 2.5435 3.7332 3.7332 3.8870 3.8870 4.3147 4.3147 4.5549 4.5549 5.3824 5.3824 9.5759 9.5759 12.9813 12.9813 14.4129 14.4129 15.1649 15.1649 k = 0.3860 0.2229 0.5764 ( 1920 PWs) bands (ev): -8.1648 -8.1648 2.0686 2.0686 2.3429 2.3429 2.5611 2.5611 3.7264 3.7264 3.8849 3.8849 4.3126 4.3126 4.5257 4.5257 5.3367 5.3367 9.5037 9.5037 13.0418 13.0418 14.4472 14.4472 15.2488 15.2488 k = 0.3824 0.2208 0.5884 ( 1924 PWs) bands (ev): -8.1642 -8.1642 2.1051 2.1051 2.3411 2.3411 2.5791 2.5791 3.7196 3.7196 3.8830 3.8830 4.3091 4.3091 4.5042 4.5042 5.2913 5.2913 9.4343 9.4343 13.0930 13.0930 14.4840 14.4840 15.3292 15.3292 k = 0.3787 0.2186 0.6004 ( 1926 PWs) bands (ev): -8.1640 -8.1640 2.1374 2.1374 2.3407 2.3407 2.5975 2.5975 3.7129 3.7129 3.8815 3.8815 4.3039 4.3039 4.4906 4.4906 5.2465 5.2465 9.3681 9.3681 13.1357 13.1357 14.5213 14.5213 15.4056 15.4056 k = 0.3750 0.2165 0.6124 ( 1926 PWs) bands (ev): -8.1640 -8.1640 2.1632 2.1632 2.3442 2.3442 2.6162 2.6162 3.7064 3.7064 3.8806 3.8806 4.2970 4.2970 4.4847 4.4847 5.2022 5.2022 9.3050 9.3050 13.1709 13.1709 14.5572 14.5572 15.4777 15.4777 k = 0.6250-0.0722 0.4082 ( 1926 PWs) bands (ev): -8.1640 -8.1640 2.1632 2.1632 2.3442 2.3442 2.6162 2.6162 3.7064 3.7064 3.8806 3.8806 4.2970 4.2970 4.4847 4.4847 5.2022 5.2022 9.3050 9.3050 13.1709 13.1709 14.5572 14.5572 15.4777 15.4777 k = 0.6188-0.0830 0.4082 ( 1926 PWs) bands (ev): -8.1645 -8.1645 2.1930 2.1930 2.3631 2.3631 2.6492 2.6492 3.6955 3.6955 3.8792 3.8792 4.2846 4.2846 4.4803 4.4803 5.1272 5.1272 9.2012 9.2012 13.2217 13.2217 14.6157 14.6157 15.5970 15.5970 k = 0.6125-0.0938 0.4082 ( 1930 PWs) bands (ev): -8.1653 -8.1653 2.2081 2.2081 2.3991 2.3991 2.6840 2.6840 3.6847 3.6847 3.8775 3.8775 4.2724 4.2724 4.4751 4.4751 5.0519 5.0519 9.0987 9.0987 13.2662 13.2662 14.6741 14.6741 15.7168 15.7168 k = 0.6062-0.1046 0.4082 ( 1930 PWs) bands (ev): -8.1662 -8.1662 2.2120 2.2120 2.4484 2.4484 2.7204 2.7204 3.6743 3.6743 3.8755 3.8755 4.2609 4.2609 4.4692 4.4692 4.9765 4.9765 8.9978 8.9978 13.3044 13.3044 14.7322 14.7322 15.8367 15.8367 k = 0.6000-0.1155 0.4082 ( 1930 PWs) bands (ev): -8.1673 -8.1673 2.2099 2.2099 2.5056 2.5056 2.7584 2.7584 3.6642 3.6642 3.8730 3.8730 4.2497 4.2497 4.4624 4.4624 4.9012 4.9012 8.8989 8.8989 13.3367 13.3367 14.7895 14.7895 15.9559 15.9559 k = 0.5938-0.1263 0.4082 ( 1930 PWs) bands (ev): -8.1685 -8.1685 2.2048 2.2048 2.5674 2.5674 2.7978 2.7978 3.6547 3.6547 3.8701 3.8701 4.2389 4.2389 4.4547 4.4547 4.8263 4.8263 8.8023 8.8023 13.3632 13.3632 14.8459 14.8459 16.0737 16.0737 k = 0.5875-0.1371 0.4082 ( 1934 PWs) bands (ev): -8.1698 -8.1698 2.1985 2.1985 2.6316 2.6316 2.8385 2.8385 3.6459 3.6459 3.8666 3.8666 4.2285 4.2285 4.4461 4.4461 4.7519 4.7519 8.7085 8.7085 13.3845 13.3845 14.9009 14.9009 16.1893 16.1893 k = 0.5813-0.1479 0.4082 ( 1938 PWs) bands (ev): -8.1712 -8.1712 2.1917 2.1917 2.6972 2.6972 2.8805 2.8805 3.6381 3.6381 3.8625 3.8625 4.2181 4.2181 4.4365 4.4365 4.6786 4.6786 8.6179 8.6179 13.4009 13.4009 14.9543 14.9543 16.3019 16.3019 k = 0.5750-0.1588 0.4082 ( 1938 PWs) bands (ev): -8.1726 -8.1726 2.1849 2.1849 2.7632 2.7632 2.9236 2.9236 3.6314 3.6314 3.8577 3.8577 4.2077 4.2077 4.4259 4.4259 4.6068 4.6068 8.5309 8.5309 13.4133 13.4133 15.0056 15.0056 16.4103 16.4103 k = 0.5687-0.1696 0.4082 ( 1934 PWs) bands (ev): -8.1741 -8.1741 2.1782 2.1782 2.8288 2.8288 2.9678 2.9678 3.6261 3.6261 3.8523 3.8523 4.1969 4.1969 4.4141 4.4141 4.5373 4.5373 8.4482 8.4482 13.4220 13.4220 15.0546 15.0546 16.5137 16.5137 k = 0.5625-0.1804 0.4082 ( 1938 PWs) bands (ev): -8.1755 -8.1755 2.1719 2.1719 2.8931 2.8931 3.0129 3.0129 3.6225 3.6225 3.8459 3.8459 4.1846 4.1846 4.4003 4.4003 4.4719 4.4719 8.3702 8.3702 13.4277 13.4277 15.1009 15.1009 16.6109 16.6109 k = 0.5563-0.1912 0.4082 ( 1938 PWs) bands (ev): -8.1768 -8.1768 2.1660 2.1660 2.9550 2.9550 3.0592 3.0592 3.6210 3.6210 3.8386 3.8386 4.1698 4.1698 4.3799 4.3799 4.4170 4.4170 8.2974 8.2974 13.4312 13.4312 15.1440 15.1440 16.7008 16.7008 k = 0.5500-0.2021 0.4082 ( 1938 PWs) bands (ev): -8.1781 -8.1781 2.1607 2.1607 3.0131 3.0131 3.1068 3.1068 3.6218 3.6218 3.8301 3.8301 4.1501 4.1501 4.3403 4.3403 4.3879 4.3879 8.2304 8.2304 13.4328 13.4328 15.1838 15.1838 16.7827 16.7827 k = 0.5437-0.2129 0.4082 ( 1928 PWs) bands (ev): -8.1792 -8.1792 2.1559 2.1559 3.0659 3.0659 3.1561 3.1561 3.6254 3.6254 3.8206 3.8206 4.1223 4.1223 4.2981 4.2981 4.3719 4.3719 8.1698 8.1698 13.4330 13.4330 15.2197 15.2197 16.8559 16.8559 k = 0.5375-0.2237 0.4082 ( 1940 PWs) bands (ev): -8.1803 -8.1803 2.1517 2.1517 3.1120 3.1120 3.2067 3.2067 3.6320 3.6320 3.8095 3.8095 4.0844 4.0844 4.2660 4.2660 4.3584 4.3584 8.1160 8.1160 13.4323 13.4323 15.2516 15.2516 16.9199 16.9199 k = 0.5312-0.2345 0.4082 ( 1938 PWs) bands (ev): -8.1812 -8.1812 2.1481 2.1481 3.1509 3.1509 3.2577 3.2577 3.6422 3.6422 3.7972 3.7972 4.0385 4.0385 4.2448 4.2448 4.3463 4.3463 8.0696 8.0696 13.4312 13.4312 15.2792 15.2792 16.9745 16.9745 k = 0.5250-0.2454 0.4082 ( 1954 PWs) bands (ev): -8.1820 -8.1820 2.1451 2.1451 3.1822 3.1822 3.3071 3.3071 3.6559 3.6559 3.7836 3.7836 3.9888 3.9888 4.2311 4.2311 4.3356 4.3356 8.0309 8.0309 13.4297 13.4297 15.3021 15.3021 17.0194 17.0194 k = 0.5188-0.2562 0.4082 ( 1958 PWs) bands (ev): -8.1826 -8.1826 2.1428 2.1428 3.2066 3.2066 3.3524 3.3524 3.6729 3.6729 3.7695 3.7695 3.9399 3.9399 4.2223 4.2223 4.3268 4.3268 8.0004 8.0004 13.4283 13.4283 15.3202 15.3202 17.0545 17.0545 k = 0.5125-0.2670 0.4082 ( 1960 PWs) bands (ev): -8.1831 -8.1831 2.1412 2.1412 3.2239 3.2239 3.3902 3.3902 3.6923 3.6923 3.7559 3.7559 3.8958 3.8958 4.2168 4.2168 4.3201 4.3201 7.9784 7.9784 13.4272 13.4272 15.3332 15.3332 17.0798 17.0798 k = 0.5062-0.2778 0.4082 ( 1964 PWs) bands (ev): -8.1833 -8.1833 2.1402 2.1402 3.2341 3.2341 3.4159 3.4159 3.7108 3.7108 3.7448 3.7448 3.8622 3.8622 4.2137 4.2137 4.3160 4.3160 7.9651 7.9651 13.4264 13.4264 15.3411 15.3411 17.0950 17.0950 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -8.1834 -8.1834 2.1398 2.1398 3.2375 3.2375 3.4252 3.4252 3.7203 3.7203 3.7395 3.7395 3.8486 3.8486 4.2127 4.2127 4.3146 4.3146 7.9606 7.9606 13.4262 13.4262 15.3437 15.3437 17.1000 17.1000 Writing output data file AgBr.save init_run : 0.11s CPU 0.24s WALL ( 1 calls) electrons : 32.28s CPU 33.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 32.27s CPU 33.15s 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 : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.02s WALL ( 366 calls) cegterg : 29.31s CPU 29.88s WALL ( 367 calls) Called by sum_band: Called by *egterg: h_psi : 16.11s CPU 16.53s WALL ( 4992 calls) s_psi : 0.52s CPU 0.50s WALL ( 4992 calls) g_psi : 0.05s CPU 0.05s WALL ( 4259 calls) cdiaghg : 12.18s CPU 12.48s WALL ( 4625 calls) cegterg:over : 0.96s CPU 1.01s WALL ( 4259 calls) cegterg:upda : 0.75s CPU 0.74s WALL ( 4259 calls) cegterg:last : 0.46s CPU 0.46s WALL ( 1088 calls) cdiaghg:chol : 0.61s CPU 0.65s WALL ( 4625 calls) cdiaghg:inve : 0.21s CPU 0.25s WALL ( 4625 calls) cdiaghg:para : 0.70s CPU 0.80s WALL ( 9250 calls) Called by h_psi: h_psi:vloc : 14.95s CPU 15.30s WALL ( 4992 calls) h_psi:vnl : 1.13s CPU 1.20s WALL ( 4992 calls) add_vuspsi : 0.62s CPU 0.63s WALL ( 4992 calls) General routines calbec : 0.51s CPU 0.56s WALL ( 4992 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 13.96s CPU 14.34s WALL ( 332128 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.08s WALL ( 732 calls) Parallel routines fft_scatter : 7.09s CPU 7.08s WALL ( 332151 calls) PWSCF : 39.38s CPU 51.49s WALL This run was terminated on: 18:17:48 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=