Program PWSCF v.5.4.0 starts on 15Mar2017 at 13: 2:10 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./AgI.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 11 11 3 214 214 35 Max 12 12 4 220 220 39 Sum 823 823 253 15593 15593 2637 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 8.0627 a.u. unit-cell volume = 370.6217 (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 = 46.0000 Ry charge density cutoff = 184.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.062727 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 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 I 7.00 126.90450 I( 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028571 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028571 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028571 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028571 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028571 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028571 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028571 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028571 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028571 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028571 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028571 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028571 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028571 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028571 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028571 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028571 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028571 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028571 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028571 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028571 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028571 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028571 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028571 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028571 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028571 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028571 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028571 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028571 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028571 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028571 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028571 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028571 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028571 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028571 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028571 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028571 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028571 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028571 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028571 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028571 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028571 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028571 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028571 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028571 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028571 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028571 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028571 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028571 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028571 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028571 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028571 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028571 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028571 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028571 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028571 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028571 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028571 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028571 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028571 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028571 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028571 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028571 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028571 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028571 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028571 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028571 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028571 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028571 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028571 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028571 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028571 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028571 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028571 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028571 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028571 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028571 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028571 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028571 k( 82) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028571 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028571 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028571 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028571 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028571 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028571 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028571 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028571 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028571 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028571 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028571 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028571 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028571 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028571 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028571 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028571 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028571 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028571 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028571 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028571 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 104) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028571 k( 105) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028571 k( 106) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028571 k( 107) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028571 k( 108) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028571 k( 109) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028571 k( 110) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028571 k( 111) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028571 k( 112) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028571 k( 113) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028571 k( 114) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028571 k( 115) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028571 k( 116) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028571 k( 117) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028571 k( 118) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028571 k( 119) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028571 k( 120) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028571 k( 121) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028571 k( 122) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028571 k( 123) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028571 k( 124) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028571 k( 125) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028571 k( 126) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028571 k( 127) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028571 k( 128) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028571 k( 129) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028571 k( 130) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028571 k( 131) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028571 k( 132) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028571 k( 133) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028571 k( 134) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028571 k( 135) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028571 k( 136) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028571 k( 137) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028571 k( 138) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028571 k( 139) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028571 k( 140) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028571 k( 141) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028571 k( 142) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028571 k( 143) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028571 k( 144) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028571 k( 145) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028571 k( 146) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028571 k( 147) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028571 k( 148) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028571 k( 149) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028571 k( 150) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028571 k( 151) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028571 k( 152) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028571 k( 153) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028571 k( 154) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028571 k( 155) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028571 k( 156) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028571 k( 157) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028571 k( 158) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 161) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028571 k( 162) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028571 k( 163) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028571 k( 164) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028571 k( 165) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028571 k( 166) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028571 k( 167) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028571 k( 168) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028571 k( 169) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028571 k( 170) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028571 k( 171) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028571 k( 172) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028571 k( 173) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028571 k( 174) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028571 k( 175) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028571 k( 176) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028571 k( 177) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028571 k( 178) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028571 k( 179) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028571 k( 180) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028571 k( 181) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028571 k( 182) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028571 k( 183) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028571 k( 184) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028571 k( 185) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028571 k( 186) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028571 k( 187) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028571 k( 188) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028571 k( 189) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028571 k( 190) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028571 k( 191) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028571 k( 192) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028571 k( 193) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028571 k( 194) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028571 k( 195) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028571 k( 196) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028571 k( 197) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028571 k( 198) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028571 k( 199) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028571 k( 200) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028571 k( 201) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028571 k( 202) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028571 k( 203) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028571 k( 204) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028571 k( 205) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028571 k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 208) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028571 k( 209) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028571 k( 210) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028571 k( 211) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028571 k( 212) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028571 k( 213) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028571 k( 214) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028571 k( 215) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028571 k( 216) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028571 k( 217) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028571 k( 218) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028571 k( 219) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028571 k( 220) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028571 k( 221) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028571 k( 222) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028571 k( 223) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028571 k( 224) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028571 k( 225) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028571 k( 226) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028571 k( 227) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028571 k( 228) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028571 k( 229) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028571 k( 230) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028571 k( 231) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028571 k( 232) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028571 k( 233) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028571 k( 234) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028571 k( 235) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028571 k( 236) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028571 k( 237) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028571 k( 238) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028571 k( 239) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 240) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 241) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028571 k( 242) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028571 k( 243) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028571 k( 244) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028571 k( 245) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028571 k( 246) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028571 k( 247) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028571 k( 248) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028571 k( 249) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028571 k( 250) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028571 k( 251) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028571 k( 252) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028571 k( 253) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028571 k( 254) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028571 k( 255) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028571 k( 256) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028571 k( 257) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028571 k( 258) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028571 k( 259) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028571 k( 260) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028571 k( 261) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028571 k( 262) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028571 k( 263) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028571 k( 264) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028571 k( 265) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028571 k( 266) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028571 k( 267) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028571 k( 268) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028571 k( 269) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028571 k( 270) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028571 k( 271) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028571 k( 272) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028571 k( 273) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028571 k( 274) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028571 k( 275) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028571 k( 276) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028571 k( 277) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028571 k( 278) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028571 k( 279) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028571 k( 280) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028571 k( 281) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028571 k( 282) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028571 k( 283) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028571 k( 284) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028571 k( 285) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028571 k( 286) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028571 k( 287) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028571 k( 288) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028571 k( 289) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028571 k( 290) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028571 k( 291) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028571 k( 292) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028571 k( 293) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028571 k( 294) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028571 k( 295) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028571 k( 296) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028571 k( 297) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 298) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 299) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028571 k( 300) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028571 k( 301) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028571 k( 302) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028571 k( 303) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028571 k( 304) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028571 k( 305) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028571 k( 306) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028571 k( 307) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028571 k( 308) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028571 k( 309) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028571 k( 310) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028571 k( 311) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028571 k( 312) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028571 k( 313) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028571 k( 314) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028571 k( 315) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028571 k( 316) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028571 k( 317) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028571 k( 318) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028571 k( 319) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028571 k( 320) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028571 k( 321) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028571 k( 322) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028571 k( 323) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028571 k( 324) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028571 k( 325) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028571 k( 326) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028571 k( 327) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028571 k( 328) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028571 k( 329) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028571 k( 330) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 331) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 332) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028571 k( 333) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028571 k( 334) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028571 k( 335) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028571 k( 336) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028571 k( 337) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028571 k( 338) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028571 k( 339) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028571 k( 340) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028571 k( 341) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028571 k( 342) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028571 k( 343) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028571 k( 344) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028571 k( 345) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028571 k( 346) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028571 k( 347) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028571 k( 348) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028571 k( 349) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028571 k( 350) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 -0.0000000 0.0094340), wk = 0.0028571 k( 3) = ( 0.0188679 -0.0000000 0.0188679), wk = 0.0028571 k( 4) = ( 0.0283019 -0.0000000 0.0283019), wk = 0.0028571 k( 5) = ( 0.0377359 -0.0000000 0.0377359), wk = 0.0028571 k( 6) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0028571 k( 7) = ( 0.0566038 0.0000000 0.0566038), wk = 0.0028571 k( 8) = ( 0.0660377 0.0000000 0.0660377), wk = 0.0028571 k( 9) = ( 0.0754717 -0.0000000 0.0754717), wk = 0.0028571 k( 10) = ( 0.0849057 -0.0000000 0.0849057), wk = 0.0028571 k( 11) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0028571 k( 12) = ( 0.1037736 -0.0000000 0.1037736), wk = 0.0028571 k( 13) = ( 0.1132076 -0.0000000 0.1132076), wk = 0.0028571 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028571 k( 15) = ( 0.1320755 0.0000000 0.1320755), wk = 0.0028571 k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028571 k( 17) = ( 0.1509434 -0.0000000 0.1509434), wk = 0.0028571 k( 18) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028571 k( 19) = ( 0.1698113 -0.0000000 0.1698113), wk = 0.0028571 k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028571 k( 21) = ( 0.1886792 -0.0000000 0.1886793), wk = 0.0028571 k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028571 k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028571 k( 24) = ( 0.2169811 -0.0000000 0.2169811), wk = 0.0028571 k( 25) = ( 0.2264151 0.0000000 0.2264151), wk = 0.0028571 k( 26) = ( 0.2358491 -0.0000000 0.2358491), wk = 0.0028571 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028571 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028571 k( 29) = ( 0.2641509 0.0000000 0.2641509), wk = 0.0028571 k( 30) = ( 0.2735849 0.0000000 0.2735849), wk = 0.0028571 k( 31) = ( 0.2830189 0.0000000 0.2830189), wk = 0.0028571 k( 32) = ( 0.2924528 -0.0000000 0.2924528), wk = 0.0028571 k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028571 k( 34) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0028571 k( 35) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028571 k( 36) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0028571 k( 37) = ( 0.3396226 -0.0000000 0.3396226), wk = 0.0028571 k( 38) = ( 0.3490566 0.0000000 0.3490566), wk = 0.0028571 k( 39) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0028571 k( 40) = ( 0.3679245 0.0000000 0.3679245), wk = 0.0028571 k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028571 k( 42) = ( 0.3867925 -0.0000000 0.3867925), wk = 0.0028571 k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028571 k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028571 k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028571 k( 46) = ( 0.4245283 -0.0000000 0.4245283), wk = 0.0028571 k( 47) = ( 0.4339623 -0.0000000 0.4339623), wk = 0.0028571 k( 48) = ( 0.4433962 0.0000000 0.4433962), wk = 0.0028571 k( 49) = ( 0.4528302 -0.0000000 0.4528302), wk = 0.0028571 k( 50) = ( 0.4622641 0.0000000 0.4622642), wk = 0.0028571 k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028571 k( 52) = ( 0.4811321 -0.0000000 0.4811321), wk = 0.0028571 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028571 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028571 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028571 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028571 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028571 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028571 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028571 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028571 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028571 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028571 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028571 k( 66) = ( 0.5000000 0.1018518 0.6018519), wk = 0.0028571 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028571 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028571 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028571 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028571 k( 71) = ( 0.5000000 0.1481481 0.6481482), wk = 0.0028571 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028571 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028571 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028571 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028571 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028571 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028571 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028571 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028571 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028571 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028571 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028571 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028571 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028571 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028571 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028571 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028571 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028571 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028571 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028571 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028571 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028571 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028571 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028571 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028571 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028571 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028571 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028571 k( 101) = ( 0.3815789 0.3684210 0.7500000), wk = 0.0028571 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 104) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028571 k( 105) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028571 k( 106) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028571 k( 107) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028571 k( 108) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028571 k( 109) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028571 k( 110) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028571 k( 111) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028571 k( 112) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028571 k( 113) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028571 k( 114) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028571 k( 115) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028571 k( 116) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028571 k( 117) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028571 k( 118) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028571 k( 119) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028571 k( 120) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028571 k( 121) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028571 k( 122) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028571 k( 123) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028571 k( 124) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028571 k( 125) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028571 k( 126) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028571 k( 127) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028571 k( 128) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028571 k( 129) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028571 k( 130) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028571 k( 131) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028571 k( 132) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028571 k( 133) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028571 k( 134) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028571 k( 135) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028571 k( 136) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028571 k( 137) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028571 k( 138) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028571 k( 139) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028571 k( 140) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028571 k( 141) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028571 k( 142) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028571 k( 143) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028571 k( 144) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028571 k( 145) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028571 k( 146) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028571 k( 147) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028571 k( 148) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028571 k( 149) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028571 k( 150) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028571 k( 151) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028571 k( 152) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028571 k( 153) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028571 k( 154) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028571 k( 155) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028571 k( 156) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028571 k( 157) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028571 k( 158) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 161) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028571 k( 162) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028571 k( 163) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028571 k( 164) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028571 k( 165) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028571 k( 166) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028571 k( 167) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028571 k( 168) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028571 k( 169) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028571 k( 170) = ( 0.1086957 0.1086956 0.1086957), wk = 0.0028571 k( 171) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028571 k( 172) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028571 k( 173) = ( 0.1413043 0.1413043 0.1413044), wk = 0.0028571 k( 174) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028571 k( 175) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028571 k( 176) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028571 k( 177) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028571 k( 178) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028571 k( 179) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028571 k( 180) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028571 k( 181) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028571 k( 182) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028571 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 184) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028571 k( 185) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028571 k( 186) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028571 k( 187) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028571 k( 188) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028571 k( 189) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028571 k( 190) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028571 k( 191) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028571 k( 192) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028571 k( 193) = ( 0.3586956 0.3586956 0.3586957), wk = 0.0028571 k( 194) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028571 k( 195) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028571 k( 196) = ( 0.3913044 0.3913043 0.3913044), wk = 0.0028571 k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028571 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028571 k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028571 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028571 k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028571 k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028571 k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028571 k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028571 k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028571 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 208) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028571 k( 209) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028571 k( 210) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028571 k( 211) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028571 k( 212) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028571 k( 213) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028571 k( 214) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028571 k( 215) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028571 k( 216) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028571 k( 217) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028571 k( 218) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028571 k( 219) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028571 k( 220) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028571 k( 221) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028571 k( 222) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028571 k( 223) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028571 k( 224) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028571 k( 225) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028571 k( 226) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028571 k( 227) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028571 k( 228) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028571 k( 229) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028571 k( 230) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028571 k( 231) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028571 k( 232) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028571 k( 233) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028571 k( 234) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028571 k( 235) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028571 k( 236) = ( 0.6132812 0.2734375 0.6132813), wk = 0.0028571 k( 237) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028571 k( 238) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028571 k( 239) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 240) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 241) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028571 k( 242) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028571 k( 243) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028571 k( 244) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028571 k( 245) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028571 k( 246) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028571 k( 247) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028571 k( 248) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028571 k( 249) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028571 k( 250) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028571 k( 251) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028571 k( 252) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028571 k( 253) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028571 k( 254) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028571 k( 255) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028571 k( 256) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028571 k( 257) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028571 k( 258) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028571 k( 259) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 260) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 261) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028571 k( 262) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028571 k( 263) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028571 k( 264) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028571 k( 265) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028571 k( 266) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028571 k( 267) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028571 k( 268) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028571 k( 269) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028571 k( 270) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028571 k( 271) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028571 k( 272) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028571 k( 273) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028571 k( 274) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028571 k( 275) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028571 k( 276) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028571 k( 277) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028571 k( 278) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028571 k( 279) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028571 k( 280) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028571 k( 281) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028571 k( 282) = ( 0.5000000 0.3986486 0.6013514), wk = 0.0028571 k( 283) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028571 k( 284) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028571 k( 285) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028571 k( 286) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028571 k( 287) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028571 k( 288) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028571 k( 289) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028571 k( 290) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028571 k( 291) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028571 k( 292) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028571 k( 293) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028571 k( 294) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028571 k( 295) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028571 k( 296) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028571 k( 297) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 299) = ( 0.4960938 0.4960937 0.5078125), wk = 0.0028571 k( 300) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028571 k( 301) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028571 k( 302) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028571 k( 303) = ( 0.4804688 0.4804687 0.5390625), wk = 0.0028571 k( 304) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028571 k( 305) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028571 k( 306) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028571 k( 307) = ( 0.4648438 0.4648437 0.5703125), wk = 0.0028571 k( 308) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028571 k( 309) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0028571 k( 310) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028571 k( 311) = ( 0.4492188 0.4492187 0.6015625), wk = 0.0028571 k( 312) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028571 k( 313) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028571 k( 314) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028571 k( 315) = ( 0.4335938 0.4335937 0.6328125), wk = 0.0028571 k( 316) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028571 k( 317) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028571 k( 318) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028571 k( 319) = ( 0.4179688 0.4179687 0.6640625), wk = 0.0028571 k( 320) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028571 k( 321) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028571 k( 322) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028571 k( 323) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028571 k( 324) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028571 k( 325) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028571 k( 326) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028571 k( 327) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028571 k( 328) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028571 k( 329) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028571 k( 330) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 331) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 332) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028571 k( 333) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028571 k( 334) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028571 k( 335) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028571 k( 336) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028571 k( 337) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028571 k( 338) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028571 k( 339) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028571 k( 340) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028571 k( 341) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028571 k( 342) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028571 k( 343) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028571 k( 344) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028571 k( 345) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028571 k( 346) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028571 k( 347) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028571 k( 348) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028571 k( 349) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028571 k( 350) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 Dense grid: 15593 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 62, 26) NL pseudopotentials 0.03 Mb ( 31, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 215) G-vector shells 0.00 Mb ( 125) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 62, 104) Each subspace H/S matrix 0.00 Mb ( 17, 17) Each matrix 0.05 Mb ( 68, 2, 26) The potential is recalculated from file : ./AgI.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 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 8.8 secs Computing kpt #: 16 total cpu time spent up to now is 9.1 secs Computing kpt #: 17 total cpu time spent up to now is 9.5 secs Computing kpt #: 18 total cpu time spent up to now is 9.9 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.3 secs Computing kpt #: 24 total cpu time spent up to now is 12.6 secs Computing kpt #: 25 total cpu time spent up to now is 12.9 secs Computing kpt #: 26 total cpu time spent up to now is 13.2 secs Computing kpt #: 27 total cpu time spent up to now is 13.5 secs Computing kpt #: 28 total cpu time spent up to now is 13.8 secs Computing kpt #: 29 total cpu time spent up to now is 14.2 secs Computing kpt #: 30 total cpu time spent up to now is 14.6 secs Computing kpt #: 31 total cpu time spent up to now is 15.0 secs Computing kpt #: 32 total cpu time spent up to now is 15.3 secs Computing kpt #: 33 total cpu time spent up to now is 15.6 secs Computing kpt #: 34 total cpu time spent up to now is 16.0 secs Computing kpt #: 35 total cpu time spent up to now is 16.3 secs Computing kpt #: 36 total cpu time spent up to now is 16.7 secs Computing kpt #: 37 total cpu time spent up to now is 17.0 secs Computing kpt #: 38 total cpu time spent up to now is 17.3 secs Computing kpt #: 39 total cpu time spent up to now is 17.6 secs Computing kpt #: 40 total cpu time spent up to now is 17.9 secs Computing kpt #: 41 total cpu time spent up to now is 18.3 secs Computing kpt #: 42 total cpu time spent up to now is 18.7 secs Computing kpt #: 43 total cpu time spent up to now is 18.9 secs Computing kpt #: 44 total cpu time spent up to now is 19.2 secs Computing kpt #: 45 total cpu time spent up to now is 19.5 secs Computing kpt #: 46 total cpu time spent up to now is 19.9 secs Computing kpt #: 47 total cpu time spent up to now is 20.2 secs Computing kpt #: 48 total cpu time spent up to now is 20.5 secs Computing kpt #: 49 total cpu time spent up to now is 20.8 secs Computing kpt #: 50 total cpu time spent up to now is 21.1 secs Computing kpt #: 51 total cpu time spent up to now is 21.5 secs Computing kpt #: 52 total cpu time spent up to now is 21.8 secs Computing kpt #: 53 total cpu time spent up to now is 22.1 secs Computing kpt #: 54 total cpu time spent up to now is 22.4 secs Computing kpt #: 55 total cpu time spent up to now is 22.6 secs Computing kpt #: 56 total cpu time spent up to now is 22.9 secs Computing kpt #: 57 total cpu time spent up to now is 23.3 secs Computing kpt #: 58 total cpu time spent up to now is 23.6 secs Computing kpt #: 59 total cpu time spent up to now is 23.9 secs Computing kpt #: 60 total cpu time spent up to now is 24.3 secs Computing kpt #: 61 total cpu time spent up to now is 24.6 secs Computing kpt #: 62 total cpu time spent up to now is 24.9 secs Computing kpt #: 63 total cpu time spent up to now is 25.3 secs Computing kpt #: 64 total cpu time spent up to now is 25.6 secs Computing kpt #: 65 total cpu time spent up to now is 25.9 secs Computing kpt #: 66 total cpu time spent up to now is 26.2 secs Computing kpt #: 67 total cpu time spent up to now is 26.6 secs Computing kpt #: 68 total cpu time spent up to now is 27.0 secs Computing kpt #: 69 total cpu time spent up to now is 27.4 secs Computing kpt #: 70 total cpu time spent up to now is 27.7 secs Computing kpt #: 71 total cpu time spent up to now is 28.0 secs Computing kpt #: 72 total cpu time spent up to now is 28.3 secs Computing kpt #: 73 total cpu time spent up to now is 28.6 secs Computing kpt #: 74 total cpu time spent up to now is 28.9 secs Computing kpt #: 75 total cpu time spent up to now is 29.1 secs Computing kpt #: 76 total cpu time spent up to now is 29.4 secs Computing kpt #: 77 total cpu time spent up to now is 29.7 secs Computing kpt #: 78 total cpu time spent up to now is 30.0 secs Computing kpt #: 79 total cpu time spent up to now is 30.4 secs Computing kpt #: 80 total cpu time spent up to now is 30.7 secs Computing kpt #: 81 total cpu time spent up to now is 30.9 secs Computing kpt #: 82 total cpu time spent up to now is 31.2 secs Computing kpt #: 83 total cpu time spent up to now is 31.5 secs Computing kpt #: 84 total cpu time spent up to now is 31.7 secs Computing kpt #: 85 total cpu time spent up to now is 32.1 secs Computing kpt #: 86 total cpu time spent up to now is 32.3 secs Computing kpt #: 87 total cpu time spent up to now is 32.7 secs Computing kpt #: 88 total cpu time spent up to now is 33.0 secs Computing kpt #: 89 total cpu time spent up to now is 33.4 secs Computing kpt #: 90 total cpu time spent up to now is 33.8 secs Computing kpt #: 91 total cpu time spent up to now is 34.0 secs Computing kpt #: 92 total cpu time spent up to now is 34.3 secs Computing kpt #: 93 total cpu time spent up to now is 34.5 secs Computing kpt #: 94 total cpu time spent up to now is 34.8 secs Computing kpt #: 95 total cpu time spent up to now is 35.1 secs Computing kpt #: 96 total cpu time spent up to now is 35.4 secs Computing kpt #: 97 total cpu time spent up to now is 35.7 secs Computing kpt #: 98 total cpu time spent up to now is 36.0 secs Computing kpt #: 99 total cpu time spent up to now is 36.3 secs Computing kpt #: 100 total cpu time spent up to now is 36.6 secs Computing kpt #: 101 total cpu time spent up to now is 36.9 secs Computing kpt #: 102 total cpu time spent up to now is 37.3 secs Computing kpt #: 103 total cpu time spent up to now is 37.6 secs Computing kpt #: 104 total cpu time spent up to now is 38.0 secs Computing kpt #: 105 total cpu time spent up to now is 38.3 secs Computing kpt #: 106 total cpu time spent up to now is 38.7 secs Computing kpt #: 107 total cpu time spent up to now is 39.0 secs Computing kpt #: 108 total cpu time spent up to now is 39.2 secs Computing kpt #: 109 total cpu time spent up to now is 39.5 secs Computing kpt #: 110 total cpu time spent up to now is 39.9 secs Computing kpt #: 111 total cpu time spent up to now is 40.1 secs Computing kpt #: 112 total cpu time spent up to now is 40.4 secs Computing kpt #: 113 total cpu time spent up to now is 40.7 secs Computing kpt #: 114 total cpu time spent up to now is 41.0 secs Computing kpt #: 115 total cpu time spent up to now is 41.3 secs Computing kpt #: 116 total cpu time spent up to now is 41.7 secs Computing kpt #: 117 total cpu time spent up to now is 41.9 secs Computing kpt #: 118 total cpu time spent up to now is 42.2 secs Computing kpt #: 119 total cpu time spent up to now is 42.5 secs Computing kpt #: 120 total cpu time spent up to now is 42.7 secs Computing kpt #: 121 total cpu time spent up to now is 43.0 secs Computing kpt #: 122 total cpu time spent up to now is 43.3 secs Computing kpt #: 123 total cpu time spent up to now is 43.6 secs Computing kpt #: 124 total cpu time spent up to now is 43.9 secs Computing kpt #: 125 total cpu time spent up to now is 44.3 secs Computing kpt #: 126 total cpu time spent up to now is 44.6 secs Computing kpt #: 127 total cpu time spent up to now is 44.9 secs Computing kpt #: 128 total cpu time spent up to now is 45.1 secs Computing kpt #: 129 total cpu time spent up to now is 45.4 secs Computing kpt #: 130 total cpu time spent up to now is 45.7 secs Computing kpt #: 131 total cpu time spent up to now is 46.0 secs Computing kpt #: 132 total cpu time spent up to now is 46.3 secs Computing kpt #: 133 total cpu time spent up to now is 46.6 secs Computing kpt #: 134 total cpu time spent up to now is 46.9 secs Computing kpt #: 135 total cpu time spent up to now is 47.3 secs Computing kpt #: 136 total cpu time spent up to now is 47.6 secs Computing kpt #: 137 total cpu time spent up to now is 47.9 secs Computing kpt #: 138 total cpu time spent up to now is 48.2 secs Computing kpt #: 139 total cpu time spent up to now is 48.5 secs Computing kpt #: 140 total cpu time spent up to now is 48.8 secs Computing kpt #: 141 total cpu time spent up to now is 49.1 secs Computing kpt #: 142 total cpu time spent up to now is 49.4 secs Computing kpt #: 143 total cpu time spent up to now is 49.7 secs Computing kpt #: 144 total cpu time spent up to now is 50.0 secs Computing kpt #: 145 total cpu time spent up to now is 50.3 secs Computing kpt #: 146 total cpu time spent up to now is 50.7 secs Computing kpt #: 147 total cpu time spent up to now is 51.0 secs Computing kpt #: 148 total cpu time spent up to now is 51.3 secs Computing kpt #: 149 total cpu time spent up to now is 51.7 secs Computing kpt #: 150 total cpu time spent up to now is 52.1 secs Computing kpt #: 151 total cpu time spent up to now is 52.4 secs Computing kpt #: 152 total cpu time spent up to now is 52.8 secs Computing kpt #: 153 total cpu time spent up to now is 53.2 secs Computing kpt #: 154 total cpu time spent up to now is 53.5 secs Computing kpt #: 155 total cpu time spent up to now is 53.9 secs Computing kpt #: 156 total cpu time spent up to now is 54.4 secs Computing kpt #: 157 total cpu time spent up to now is 54.8 secs Computing kpt #: 158 total cpu time spent up to now is 55.2 secs Computing kpt #: 159 total cpu time spent up to now is 55.5 secs Computing kpt #: 160 total cpu time spent up to now is 55.8 secs Computing kpt #: 161 total cpu time spent up to now is 56.2 secs Computing kpt #: 162 total cpu time spent up to now is 56.6 secs Computing kpt #: 163 total cpu time spent up to now is 57.0 secs Computing kpt #: 164 total cpu time spent up to now is 57.4 secs Computing kpt #: 165 total cpu time spent up to now is 57.8 secs Computing kpt #: 166 total cpu time spent up to now is 58.2 secs Computing kpt #: 167 total cpu time spent up to now is 58.5 secs Computing kpt #: 168 total cpu time spent up to now is 58.9 secs Computing kpt #: 169 total cpu time spent up to now is 59.2 secs Computing kpt #: 170 total cpu time spent up to now is 59.6 secs Computing kpt #: 171 total cpu time spent up to now is 60.0 secs Computing kpt #: 172 total cpu time spent up to now is 60.4 secs Computing kpt #: 173 total cpu time spent up to now is 60.7 secs Computing kpt #: 174 total cpu time spent up to now is 61.2 secs Computing kpt #: 175 total cpu time spent up to now is 61.5 secs Computing kpt #: 176 total cpu time spent up to now is 61.9 secs Computing kpt #: 177 total cpu time spent up to now is 62.3 secs Computing kpt #: 178 total cpu time spent up to now is 62.6 secs Computing kpt #: 179 total cpu time spent up to now is 62.9 secs Computing kpt #: 180 total cpu time spent up to now is 63.2 secs Computing kpt #: 181 total cpu time spent up to now is 63.5 secs Computing kpt #: 182 total cpu time spent up to now is 63.9 secs Computing kpt #: 183 total cpu time spent up to now is 64.3 secs Computing kpt #: 184 total cpu time spent up to now is 64.7 secs Computing kpt #: 185 total cpu time spent up to now is 65.0 secs Computing kpt #: 186 total cpu time spent up to now is 65.3 secs Computing kpt #: 187 total cpu time spent up to now is 65.7 secs Computing kpt #: 188 total cpu time spent up to now is 66.0 secs Computing kpt #: 189 total cpu time spent up to now is 66.3 secs Computing kpt #: 190 total cpu time spent up to now is 66.6 secs Computing kpt #: 191 total cpu time spent up to now is 66.9 secs Computing kpt #: 192 total cpu time spent up to now is 67.2 secs Computing kpt #: 193 total cpu time spent up to now is 67.5 secs Computing kpt #: 194 total cpu time spent up to now is 67.8 secs Computing kpt #: 195 total cpu time spent up to now is 68.0 secs Computing kpt #: 196 total cpu time spent up to now is 68.3 secs Computing kpt #: 197 total cpu time spent up to now is 68.6 secs Computing kpt #: 198 total cpu time spent up to now is 68.9 secs Computing kpt #: 199 total cpu time spent up to now is 69.1 secs Computing kpt #: 200 total cpu time spent up to now is 69.5 secs Computing kpt #: 201 total cpu time spent up to now is 69.7 secs Computing kpt #: 202 total cpu time spent up to now is 70.0 secs Computing kpt #: 203 total cpu time spent up to now is 70.2 secs Computing kpt #: 204 total cpu time spent up to now is 70.5 secs Computing kpt #: 205 total cpu time spent up to now is 70.8 secs Computing kpt #: 206 total cpu time spent up to now is 71.2 secs Computing kpt #: 207 total cpu time spent up to now is 71.6 secs Computing kpt #: 208 total cpu time spent up to now is 71.9 secs Computing kpt #: 209 total cpu time spent up to now is 72.1 secs Computing kpt #: 210 total cpu time spent up to now is 72.4 secs Computing kpt #: 211 total cpu time spent up to now is 72.7 secs Computing kpt #: 212 total cpu time spent up to now is 72.9 secs Computing kpt #: 213 total cpu time spent up to now is 73.2 secs Computing kpt #: 214 total cpu time spent up to now is 73.4 secs Computing kpt #: 215 total cpu time spent up to now is 73.7 secs Computing kpt #: 216 total cpu time spent up to now is 74.0 secs Computing kpt #: 217 total cpu time spent up to now is 74.2 secs Computing kpt #: 218 total cpu time spent up to now is 74.5 secs Computing kpt #: 219 total cpu time spent up to now is 74.9 secs Computing kpt #: 220 total cpu time spent up to now is 75.2 secs Computing kpt #: 221 total cpu time spent up to now is 75.5 secs Computing kpt #: 222 total cpu time spent up to now is 75.8 secs Computing kpt #: 223 total cpu time spent up to now is 76.1 secs Computing kpt #: 224 total cpu time spent up to now is 76.5 secs Computing kpt #: 225 total cpu time spent up to now is 76.7 secs Computing kpt #: 226 total cpu time spent up to now is 77.0 secs Computing kpt #: 227 total cpu time spent up to now is 77.3 secs Computing kpt #: 228 total cpu time spent up to now is 77.6 secs Computing kpt #: 229 total cpu time spent up to now is 78.0 secs Computing kpt #: 230 total cpu time spent up to now is 78.3 secs Computing kpt #: 231 total cpu time spent up to now is 78.6 secs Computing kpt #: 232 total cpu time spent up to now is 78.9 secs Computing kpt #: 233 total cpu time spent up to now is 79.2 secs Computing kpt #: 234 total cpu time spent up to now is 79.5 secs Computing kpt #: 235 total cpu time spent up to now is 79.8 secs Computing kpt #: 236 total cpu time spent up to now is 80.1 secs Computing kpt #: 237 total cpu time spent up to now is 80.5 secs Computing kpt #: 238 total cpu time spent up to now is 80.8 secs Computing kpt #: 239 total cpu time spent up to now is 81.1 secs Computing kpt #: 240 total cpu time spent up to now is 81.5 secs Computing kpt #: 241 total cpu time spent up to now is 81.8 secs Computing kpt #: 242 total cpu time spent up to now is 82.1 secs Computing kpt #: 243 total cpu time spent up to now is 82.4 secs Computing kpt #: 244 total cpu time spent up to now is 82.7 secs Computing kpt #: 245 total cpu time spent up to now is 83.0 secs Computing kpt #: 246 total cpu time spent up to now is 83.3 secs Computing kpt #: 247 total cpu time spent up to now is 83.7 secs Computing kpt #: 248 total cpu time spent up to now is 83.9 secs Computing kpt #: 249 total cpu time spent up to now is 84.3 secs Computing kpt #: 250 total cpu time spent up to now is 84.6 secs Computing kpt #: 251 total cpu time spent up to now is 84.9 secs Computing kpt #: 252 total cpu time spent up to now is 85.3 secs Computing kpt #: 253 total cpu time spent up to now is 85.6 secs Computing kpt #: 254 total cpu time spent up to now is 85.8 secs Computing kpt #: 255 total cpu time spent up to now is 86.2 secs Computing kpt #: 256 total cpu time spent up to now is 86.4 secs Computing kpt #: 257 total cpu time spent up to now is 86.7 secs Computing kpt #: 258 total cpu time spent up to now is 87.0 secs Computing kpt #: 259 total cpu time spent up to now is 87.3 secs Computing kpt #: 260 total cpu time spent up to now is 87.6 secs Computing kpt #: 261 total cpu time spent up to now is 87.9 secs Computing kpt #: 262 total cpu time spent up to now is 88.2 secs Computing kpt #: 263 total cpu time spent up to now is 88.5 secs Computing kpt #: 264 total cpu time spent up to now is 88.8 secs Computing kpt #: 265 total cpu time spent up to now is 89.1 secs Computing kpt #: 266 total cpu time spent up to now is 89.4 secs Computing kpt #: 267 total cpu time spent up to now is 89.7 secs Computing kpt #: 268 total cpu time spent up to now is 89.9 secs Computing kpt #: 269 total cpu time spent up to now is 90.2 secs Computing kpt #: 270 total cpu time spent up to now is 90.5 secs Computing kpt #: 271 total cpu time spent up to now is 90.8 secs Computing kpt #: 272 total cpu time spent up to now is 91.1 secs Computing kpt #: 273 total cpu time spent up to now is 91.4 secs Computing kpt #: 274 total cpu time spent up to now is 91.6 secs Computing kpt #: 275 total cpu time spent up to now is 91.9 secs Computing kpt #: 276 total cpu time spent up to now is 92.3 secs Computing kpt #: 277 total cpu time spent up to now is 92.5 secs Computing kpt #: 278 total cpu time spent up to now is 92.9 secs Computing kpt #: 279 total cpu time spent up to now is 93.2 secs Computing kpt #: 280 total cpu time spent up to now is 93.5 secs Computing kpt #: 281 total cpu time spent up to now is 93.8 secs Computing kpt #: 282 total cpu time spent up to now is 94.1 secs Computing kpt #: 283 total cpu time spent up to now is 94.4 secs Computing kpt #: 284 total cpu time spent up to now is 94.7 secs Computing kpt #: 285 total cpu time spent up to now is 95.0 secs Computing kpt #: 286 total cpu time spent up to now is 95.3 secs Computing kpt #: 287 total cpu time spent up to now is 95.5 secs Computing kpt #: 288 total cpu time spent up to now is 95.8 secs Computing kpt #: 289 total cpu time spent up to now is 96.1 secs Computing kpt #: 290 total cpu time spent up to now is 96.4 secs Computing kpt #: 291 total cpu time spent up to now is 96.7 secs Computing kpt #: 292 total cpu time spent up to now is 97.0 secs Computing kpt #: 293 total cpu time spent up to now is 97.3 secs Computing kpt #: 294 total cpu time spent up to now is 97.6 secs Computing kpt #: 295 total cpu time spent up to now is 97.9 secs Computing kpt #: 296 total cpu time spent up to now is 98.2 secs Computing kpt #: 297 total cpu time spent up to now is 98.5 secs Computing kpt #: 298 total cpu time spent up to now is 98.7 secs Computing kpt #: 299 total cpu time spent up to now is 99.0 secs Computing kpt #: 300 total cpu time spent up to now is 99.3 secs Computing kpt #: 301 total cpu time spent up to now is 99.6 secs Computing kpt #: 302 total cpu time spent up to now is 99.9 secs Computing kpt #: 303 total cpu time spent up to now is 100.4 secs Computing kpt #: 304 total cpu time spent up to now is 100.6 secs Computing kpt #: 305 total cpu time spent up to now is 100.9 secs Computing kpt #: 306 total cpu time spent up to now is 101.3 secs Computing kpt #: 307 total cpu time spent up to now is 101.6 secs Computing kpt #: 308 total cpu time spent up to now is 101.9 secs Computing kpt #: 309 total cpu time spent up to now is 102.2 secs Computing kpt #: 310 total cpu time spent up to now is 102.5 secs Computing kpt #: 311 total cpu time spent up to now is 102.8 secs Computing kpt #: 312 total cpu time spent up to now is 103.1 secs Computing kpt #: 313 total cpu time spent up to now is 103.5 secs Computing kpt #: 314 total cpu time spent up to now is 103.8 secs Computing kpt #: 315 total cpu time spent up to now is 104.2 secs Computing kpt #: 316 total cpu time spent up to now is 104.6 secs Computing kpt #: 317 total cpu time spent up to now is 104.9 secs Computing kpt #: 318 total cpu time spent up to now is 105.2 secs Computing kpt #: 319 total cpu time spent up to now is 105.5 secs Computing kpt #: 320 total cpu time spent up to now is 105.8 secs Computing kpt #: 321 total cpu time spent up to now is 106.1 secs Computing kpt #: 322 total cpu time spent up to now is 106.4 secs Computing kpt #: 323 total cpu time spent up to now is 106.8 secs Computing kpt #: 324 total cpu time spent up to now is 107.1 secs Computing kpt #: 325 total cpu time spent up to now is 107.5 secs Computing kpt #: 326 total cpu time spent up to now is 107.8 secs Computing kpt #: 327 total cpu time spent up to now is 108.2 secs Computing kpt #: 328 total cpu time spent up to now is 108.4 secs Computing kpt #: 329 total cpu time spent up to now is 108.7 secs Computing kpt #: 330 total cpu time spent up to now is 108.9 secs Computing kpt #: 331 total cpu time spent up to now is 109.2 secs Computing kpt #: 332 total cpu time spent up to now is 109.5 secs Computing kpt #: 333 total cpu time spent up to now is 109.8 secs Computing kpt #: 334 total cpu time spent up to now is 110.2 secs Computing kpt #: 335 total cpu time spent up to now is 110.6 secs Computing kpt #: 336 total cpu time spent up to now is 110.9 secs Computing kpt #: 337 total cpu time spent up to now is 111.2 secs Computing kpt #: 338 total cpu time spent up to now is 111.6 secs Computing kpt #: 339 total cpu time spent up to now is 111.9 secs Computing kpt #: 340 total cpu time spent up to now is 112.3 secs Computing kpt #: 341 total cpu time spent up to now is 112.6 secs Computing kpt #: 342 total cpu time spent up to now is 113.0 secs Computing kpt #: 343 total cpu time spent up to now is 113.4 secs Computing kpt #: 344 total cpu time spent up to now is 113.8 secs Computing kpt #: 345 total cpu time spent up to now is 114.3 secs Computing kpt #: 346 total cpu time spent up to now is 114.6 secs Computing kpt #: 347 total cpu time spent up to now is 114.9 secs Computing kpt #: 348 total cpu time spent up to now is 115.2 secs Computing kpt #: 349 total cpu time spent up to now is 115.5 secs Computing kpt #: 350 total cpu time spent up to now is 115.7 secs ethr = 5.56E-08, avg # of iterations = 13.2 total cpu time spent up to now is 115.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -6.1196 -6.1196 3.4029 3.4029 3.4029 3.4029 3.9218 3.9218 3.9218 3.9218 3.9528 3.9528 4.8318 4.8318 5.9860 5.9860 5.9860 5.9860 8.1260 8.1260 15.2065 15.2065 15.2065 15.2065 15.3168 15.3168 k = 0.0094-0.0054 0.0077 ( 1917 PWs) bands (ev): -6.1190 -6.1190 3.4018 3.4018 3.4029 3.4029 3.9182 3.9182 3.9218 3.9218 3.9526 3.9526 4.8333 4.8333 5.9821 5.9821 5.9856 5.9856 8.1359 8.1359 15.1968 15.1968 15.2018 15.2018 15.3104 15.3104 k = 0.0189-0.0109 0.0154 ( 1929 PWs) bands (ev): -6.1170 -6.1170 3.3982 3.3982 3.4028 3.4028 3.9072 3.9072 3.9217 3.9217 3.9520 3.9520 4.8376 4.8376 5.9707 5.9707 5.9842 5.9842 8.1652 8.1652 15.1671 15.1671 15.1883 15.1883 15.2945 15.2945 k = 0.0283-0.0163 0.0231 ( 1937 PWs) bands (ev): -6.1137 -6.1137 3.3923 3.3923 3.4026 3.4026 3.8897 3.8897 3.9216 3.9216 3.9509 3.9509 4.8446 4.8446 5.9525 5.9525 5.9820 5.9820 8.2131 8.2131 15.1173 15.1173 15.1670 15.1670 15.2745 15.2745 k = 0.0377-0.0218 0.0308 ( 1945 PWs) bands (ev): -6.1090 -6.1090 3.3838 3.3838 3.4023 3.4023 3.8665 3.8665 3.9214 3.9214 3.9494 3.9494 4.8538 4.8538 5.9286 5.9286 5.9788 5.9788 8.2781 8.2781 15.0512 15.0512 15.1394 15.1394 15.2531 15.2531 k = 0.0472-0.0272 0.0385 ( 1945 PWs) bands (ev): -6.1031 -6.1031 3.3722 3.3722 3.4021 3.4021 3.8387 3.8387 3.9212 3.9212 3.9477 3.9477 4.8646 4.8646 5.9002 5.9002 5.9746 5.9746 8.3585 8.3585 14.9739 14.9739 15.1071 15.1071 15.2312 15.2312 k = 0.0566-0.0327 0.0462 ( 1945 PWs) bands (ev): -6.0959 -6.0959 3.3573 3.3573 3.4017 3.4017 3.8075 3.8075 3.9210 3.9210 3.9456 3.9456 4.8767 4.8767 5.8684 5.8684 5.9695 5.9695 8.4527 8.4527 14.8898 14.8898 15.0707 15.0707 15.2088 15.2088 k = 0.0660-0.0381 0.0539 ( 1953 PWs) bands (ev): -6.0875 -6.0875 3.3384 3.3384 3.4013 3.4013 3.7744 3.7744 3.9206 3.9206 3.9432 3.9432 4.8896 4.8896 5.8344 5.8344 5.9633 5.9633 8.5588 8.5588 14.8016 14.8016 15.0297 15.0297 15.1867 15.1867 k = 0.0755-0.0436 0.0616 ( 1949 PWs) bands (ev): -6.0778 -6.0778 3.3151 3.3151 3.4008 3.4008 3.7410 3.7410 3.9204 3.9204 3.9405 3.9405 4.9028 4.9028 5.7992 5.7992 5.9560 5.9560 8.6750 8.6750 14.7113 14.7113 14.9779 14.9779 15.1655 15.1655 k = 0.0849-0.0490 0.0693 ( 1957 PWs) bands (ev): -6.0670 -6.0670 3.2866 3.2866 3.4003 3.4003 3.7084 3.7084 3.9202 3.9202 3.9375 3.9375 4.9159 4.9159 5.7634 5.7634 5.9476 5.9476 8.7997 8.7997 14.6204 14.6204 14.8877 14.8877 15.1104 15.1104 k = 0.0943-0.0545 0.0770 ( 1957 PWs) bands (ev): -6.0550 -6.0550 3.2530 3.2530 3.3998 3.3998 3.6780 3.6780 3.9199 3.9199 3.9345 3.9345 4.9286 4.9286 5.7277 5.7277 5.9380 5.9380 8.9313 8.9313 14.5296 14.5296 14.7210 14.7210 15.0185 15.0185 k = 0.1038-0.0599 0.0847 ( 1957 PWs) bands (ev): -6.0419 -6.0419 3.2143 3.2143 3.3992 3.3992 3.6504 3.6504 3.9197 3.9197 3.9312 3.9312 4.9408 4.9408 5.6924 5.6924 5.9272 5.9272 9.0682 9.0682 14.4396 14.4396 14.5134 14.5134 14.9723 14.9723 k = 0.1132-0.0654 0.0924 ( 1957 PWs) bands (ev): -6.0278 -6.0278 3.1706 3.1706 3.3986 3.3986 3.6261 3.6261 3.9194 3.9194 3.9281 3.9281 4.9521 4.9521 5.6578 5.6578 5.9151 5.9151 9.2088 9.2088 14.2973 14.2973 14.3508 14.3508 14.9420 14.9420 k = 0.1226-0.0708 0.1001 ( 1957 PWs) bands (ev): -6.0126 -6.0126 3.1228 3.1228 3.3979 3.3979 3.6050 3.6050 3.9188 3.9188 3.9252 3.9252 4.9624 4.9624 5.6240 5.6240 5.9017 5.9017 9.3513 9.3513 14.0823 14.0823 14.2635 14.2635 14.9198 14.9198 k = 0.1321-0.0763 0.1078 ( 1965 PWs) bands (ev): -5.9966 -5.9966 3.0718 3.0718 3.3972 3.3972 3.5868 3.5868 3.9173 3.9173 3.9232 3.9232 4.9715 4.9715 5.5912 5.5912 5.8869 5.8869 9.4938 9.4938 13.8729 13.8729 14.1780 14.1780 14.9038 14.9038 k = 0.1415-0.0817 0.1155 ( 1965 PWs) bands (ev): -5.9796 -5.9796 3.0186 3.0186 3.3965 3.3965 3.5713 3.5713 3.9149 3.9149 3.9225 3.9225 4.9792 4.9792 5.5594 5.5594 5.8707 5.8707 9.6340 9.6340 13.6719 13.6719 14.0944 14.0944 14.8933 14.8933 k = 0.1509-0.0871 0.1232 ( 1965 PWs) bands (ev): -5.9618 -5.9618 2.9640 2.9640 3.3957 3.3957 3.5582 3.5582 3.9118 3.9118 3.9225 3.9225 4.9855 4.9855 5.5286 5.5286 5.8530 5.8530 9.7691 9.7691 13.4826 13.4826 14.0129 14.0129 14.8881 14.8881 k = 0.1604-0.0926 0.1309 ( 1960 PWs) bands (ev): -5.9433 -5.9433 2.9090 2.9090 3.3949 3.3949 3.5470 3.5470 3.9087 3.9087 3.9230 3.9230 4.9902 4.9902 5.4988 5.4988 5.8340 5.8340 9.8959 9.8959 13.3082 13.3082 13.9336 13.9336 14.8881 14.8881 k = 0.1698-0.0980 0.1387 ( 1960 PWs) bands (ev): -5.9241 -5.9241 2.8543 2.8543 3.3941 3.3941 3.5375 3.5375 3.9055 3.9055 3.9238 3.9238 4.9930 4.9930 5.4698 5.4698 5.8134 5.8134 10.0101 10.0101 13.1529 13.1529 13.8564 13.8564 14.8934 14.8934 k = 0.1792-0.1035 0.1464 ( 1960 PWs) bands (ev): -5.9043 -5.9043 2.8005 2.8005 3.3933 3.3933 3.5295 3.5295 3.9025 3.9025 3.9249 3.9249 4.9940 4.9940 5.4417 5.4417 5.7914 5.7914 10.1068 10.1068 13.0217 13.0217 13.7815 13.7815 14.9040 14.9040 k = 0.1887-0.1089 0.1541 ( 1980 PWs) bands (ev): -5.8840 -5.8840 2.7481 2.7481 3.3924 3.3924 3.5228 3.5228 3.8995 3.8995 3.9262 3.9262 4.9929 4.9929 5.4145 5.4145 5.7679 5.7679 10.1805 10.1805 12.9199 12.9199 13.7089 13.7089 14.9198 14.9198 k = 0.1981-0.1144 0.1618 ( 1980 PWs) bands (ev): -5.8632 -5.8632 2.6977 2.6977 3.3915 3.3915 3.5174 3.5174 3.8969 3.8969 3.9279 3.9279 4.9897 4.9897 5.3881 5.3881 5.7429 5.7429 10.2258 10.2258 12.8527 12.8527 13.6386 13.6386 14.9408 14.9408 k = 0.2075-0.1198 0.1695 ( 1980 PWs) bands (ev): -5.8420 -5.8420 2.6497 2.6497 3.3907 3.3907 3.5131 3.5131 3.8946 3.8946 3.9299 3.9299 4.9842 4.9842 5.3624 5.3624 5.7166 5.7166 10.2387 10.2387 12.8241 12.8241 13.5707 13.5707 14.9671 14.9671 k = 0.2170-0.1253 0.1772 ( 1972 PWs) bands (ev): -5.8206 -5.8206 2.6044 2.6044 3.3899 3.3899 3.5101 3.5101 3.8925 3.8925 3.9324 3.9324 4.9763 4.9763 5.3375 5.3375 5.6888 5.6888 10.2179 10.2179 12.8352 12.8352 13.5051 13.5051 14.9986 14.9986 k = 0.2264-0.1307 0.1849 ( 1972 PWs) bands (ev): -5.7989 -5.7989 2.5621 2.5621 3.3890 3.3890 3.5081 3.5081 3.8908 3.8908 3.9352 3.9352 4.9658 4.9658 5.3132 5.3132 5.6597 5.6597 10.1654 10.1654 12.8841 12.8841 13.4418 13.4418 15.0352 15.0352 k = 0.2358-0.1362 0.1926 ( 1964 PWs) bands (ev): -5.7771 -5.7771 2.5231 2.5231 3.3882 3.3882 3.5072 3.5072 3.8895 3.8895 3.9386 3.9386 4.9529 4.9529 5.2893 5.2893 5.6293 5.6293 10.0855 10.0855 12.9661 12.9661 13.3809 13.3809 15.0768 15.0768 k = 0.2453-0.1416 0.2003 ( 1964 PWs) bands (ev): -5.7553 -5.7553 2.4876 2.4876 3.3873 3.3873 3.5074 3.5074 3.8884 3.8884 3.9423 3.9423 4.9374 4.9374 5.2659 5.2659 5.5976 5.5976 9.9838 9.9838 13.0755 13.0755 13.3223 13.3223 15.1233 15.1233 k = 0.2547-0.1471 0.2080 ( 1964 PWs) bands (ev): -5.7336 -5.7336 2.4558 2.4558 3.3864 3.3864 3.5086 3.5086 3.8877 3.8877 3.9467 3.9467 4.9194 4.9194 5.2426 5.2426 5.5648 5.5648 9.8661 9.8661 13.2065 13.2065 13.2660 13.2660 15.1747 15.1747 k = 0.2642-0.1525 0.2157 ( 1964 PWs) bands (ev): -5.7120 -5.7120 2.4278 2.4278 3.3855 3.3855 3.5108 3.5108 3.8873 3.8873 3.9516 3.9516 4.8990 4.8990 5.2192 5.2192 5.5310 5.5310 9.7371 9.7371 13.2120 13.2120 13.3540 13.3540 15.2308 15.2308 k = 0.2736-0.1580 0.2234 ( 1972 PWs) bands (ev): -5.6906 -5.6906 2.4037 2.4037 3.3846 3.3846 3.5141 3.5141 3.8872 3.8872 3.9571 3.9571 4.8764 4.8764 5.1954 5.1954 5.4961 5.4961 9.6011 9.6011 13.1603 13.1603 13.5138 13.5138 15.2913 15.2913 k = 0.2830-0.1634 0.2311 ( 1960 PWs) bands (ev): -5.6695 -5.6695 2.3838 2.3838 3.3837 3.3837 3.5186 3.5186 3.8875 3.8875 3.9634 3.9634 4.8518 4.8518 5.1711 5.1711 5.4603 5.4603 9.4612 9.4612 13.1109 13.1109 13.6825 13.6825 15.3563 15.3563 k = 0.2925-0.1688 0.2388 ( 1960 PWs) bands (ev): -5.6488 -5.6488 2.3679 2.3679 3.3827 3.3827 3.5240 3.5240 3.8880 3.8880 3.9704 3.9704 4.8253 4.8253 5.1457 5.1457 5.4237 5.4237 9.3198 9.3198 13.0638 13.0638 13.8572 13.8572 15.4255 15.4255 k = 0.3019-0.1743 0.2465 ( 1960 PWs) bands (ev): -5.6285 -5.6285 2.3562 2.3562 3.3817 3.3817 3.5305 3.5305 3.8887 3.8887 3.9782 3.9782 4.7972 4.7972 5.1191 5.1191 5.3864 5.3864 9.1791 9.1791 13.0189 13.0189 14.0358 14.0358 15.4986 15.4986 k = 0.3113-0.1797 0.2542 ( 1960 PWs) bands (ev): -5.6088 -5.6088 2.3485 2.3485 3.3807 3.3807 3.5381 3.5381 3.8896 3.8896 3.9868 3.9868 4.7676 4.7676 5.0909 5.0909 5.3486 5.3486 9.0406 9.0406 12.9762 12.9762 14.2164 14.2164 15.5755 15.5755 k = 0.3208-0.1852 0.2619 ( 1960 PWs) bands (ev): -5.5896 -5.5896 2.3450 2.3450 3.3797 3.3797 3.5467 3.5467 3.8908 3.8908 3.9963 3.9963 4.7367 4.7367 5.0609 5.0609 5.3102 5.3102 8.9055 8.9055 12.9358 12.9358 14.3974 14.3974 15.6559 15.6559 k = 0.3302-0.1906 0.2696 ( 1972 PWs) bands (ev): -5.5711 -5.5711 2.3455 2.3455 3.3785 3.3785 3.5563 3.5563 3.8919 3.8919 4.0067 4.0067 4.7048 4.7048 5.0290 5.0290 5.2715 5.2715 8.7749 8.7749 12.8976 12.8976 14.5773 14.5773 15.7395 15.7396 k = 0.3396-0.1961 0.2773 ( 1972 PWs) bands (ev): -5.5533 -5.5533 2.3500 2.3500 3.3775 3.3775 3.5669 3.5669 3.8933 3.8933 4.0181 4.0181 4.6721 4.6721 4.9950 4.9950 5.2326 5.2326 8.6496 8.6496 12.8615 12.8615 14.7548 14.7548 15.8262 15.8262 k = 0.3491-0.2015 0.2850 ( 1972 PWs) bands (ev): -5.5363 -5.5363 2.3583 2.3583 3.3764 3.3764 3.5785 3.5785 3.8947 3.8947 4.0304 4.0304 4.6385 4.6385 4.9589 4.9589 5.1936 5.1936 8.5303 8.5303 12.8276 12.8276 14.9287 14.9287 15.9155 15.9155 k = 0.3585-0.2070 0.2927 ( 1972 PWs) bands (ev): -5.5201 -5.5201 2.3701 2.3701 3.3753 3.3753 3.5911 3.5911 3.8962 3.8962 4.0436 4.0436 4.6044 4.6044 4.9207 4.9207 5.1547 5.1547 8.4175 8.4175 12.7959 12.7959 15.0979 15.0979 16.0071 16.0071 k = 0.3679-0.2124 0.3004 ( 1972 PWs) bands (ev): -5.5048 -5.5048 2.3854 2.3854 3.3742 3.3742 3.6045 3.6045 3.8977 3.8977 4.0578 4.0578 4.5698 4.5698 4.8806 4.8806 5.1160 5.1160 8.3117 8.3117 12.7663 12.7663 15.2613 15.2613 16.1005 16.1005 k = 0.3774-0.2179 0.3081 ( 1964 PWs) bands (ev): -5.4904 -5.4904 2.4037 2.4037 3.3732 3.3732 3.6188 3.6188 3.8992 3.8992 4.0728 4.0728 4.5348 4.5348 4.8390 4.8390 5.0776 5.0776 8.2132 8.2132 12.7388 12.7388 15.4177 15.4177 16.1953 16.1953 k = 0.3868-0.2233 0.3158 ( 1968 PWs) bands (ev): -5.4769 -5.4769 2.4248 2.4248 3.3721 3.3721 3.6339 3.6339 3.9006 3.9006 4.0886 4.0886 4.4996 4.4996 4.7959 4.7959 5.0398 5.0398 8.1223 8.1223 12.7134 12.7134 15.5661 15.5661 16.2908 16.2908 k = 0.3962-0.2288 0.3235 ( 1968 PWs) bands (ev): -5.4644 -5.4644 2.4482 2.4482 3.3711 3.3711 3.6496 3.6496 3.9020 3.9020 4.1051 4.1051 4.4642 4.4642 4.7523 4.7523 5.0027 5.0027 8.0390 8.0390 12.6901 12.6901 15.7058 15.7058 16.3862 16.3862 k = 0.4057-0.2342 0.3312 ( 1968 PWs) bands (ev): -5.4529 -5.4529 2.4734 2.4734 3.3702 3.3702 3.6659 3.6659 3.9033 3.9033 4.1221 4.1221 4.4288 4.4288 4.7085 4.7085 4.9667 4.9667 7.9635 7.9635 12.6689 12.6689 15.8358 15.8358 16.4806 16.4806 k = 0.4151-0.2397 0.3389 ( 1980 PWs) bands (ev): -5.4425 -5.4425 2.5000 2.5000 3.3692 3.3692 3.6826 3.6826 3.9045 3.9045 4.1393 4.1393 4.3934 4.3934 4.6655 4.6655 4.9318 4.9318 7.8958 7.8958 12.6497 12.6497 15.9554 15.9554 16.5728 16.5728 k = 0.4245-0.2451 0.3466 ( 1968 PWs) bands (ev): -5.4331 -5.4331 2.5271 2.5271 3.3684 3.3684 3.6996 3.6996 3.9057 3.9057 4.1569 4.1569 4.3583 4.3583 4.6241 4.6241 4.8985 4.8985 7.8357 7.8357 12.6326 12.6326 16.0642 16.0642 16.6615 16.6615 k = 0.4340-0.2505 0.3543 ( 1976 PWs) bands (ev): -5.4248 -5.4248 2.5542 2.5542 3.3676 3.3676 3.7166 3.7166 3.9067 3.9067 4.1742 4.1742 4.3238 4.3238 4.5851 4.5851 4.8670 4.8670 7.7832 7.7832 12.6175 12.6175 16.1615 16.1615 16.7452 16.7452 k = 0.4434-0.2560 0.3620 ( 1976 PWs) bands (ev): -5.4175 -5.4175 2.5804 2.5804 3.3669 3.3669 3.7334 3.7334 3.9076 3.9076 4.1909 4.1909 4.2904 4.2904 4.5494 4.5494 4.8379 4.8379 7.7382 7.7382 12.6044 12.6044 16.2470 16.2470 16.8223 16.8223 k = 0.4528-0.2614 0.3697 ( 1960 PWs) bands (ev): -5.4114 -5.4114 2.6047 2.6047 3.3663 3.3663 3.7496 3.7496 3.9084 3.9084 4.2068 4.2068 4.2588 4.2588 4.5181 4.5181 4.8116 4.8116 7.7004 7.7004 12.5934 12.5934 16.3203 16.3203 16.8912 16.8912 k = 0.4623-0.2669 0.3774 ( 1956 PWs) bands (ev): -5.4064 -5.4064 2.6264 2.6264 3.3658 3.3658 3.7646 3.7646 3.9090 3.9090 4.2211 4.2211 4.2300 4.2300 4.4915 4.4915 4.7887 4.7887 7.6698 7.6698 12.5844 12.5844 16.3809 16.3809 16.9502 16.9502 k = 0.4717-0.2723 0.3851 ( 1964 PWs) bands (ev): -5.4024 -5.4024 2.6444 2.6444 3.3654 3.3654 3.7775 3.7775 3.9095 3.9095 4.2053 4.2053 4.2331 4.2331 4.4702 4.4702 4.7699 4.7699 7.6461 7.6461 12.5774 12.5774 16.4285 16.4285 16.9979 16.9979 k = 0.4811-0.2778 0.3928 ( 1964 PWs) bands (ev): -5.3996 -5.3996 2.6579 2.6579 3.3651 3.3651 3.7879 3.7879 3.9099 3.9099 4.1861 4.1861 4.2424 4.2424 4.4547 4.4547 4.7558 4.7558 7.6293 7.6293 12.5724 12.5724 16.4628 16.4628 17.0329 17.0329 k = 0.4906-0.2832 0.4005 ( 1964 PWs) bands (ev): -5.3979 -5.3979 2.6663 2.6663 3.3649 3.3649 3.7946 3.7946 3.9101 3.9101 4.1738 4.1738 4.2482 4.2482 4.4453 4.4453 4.7470 4.7470 7.6193 7.6193 12.5694 12.5694 16.4835 16.4835 17.0544 17.0544 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -5.3974 -5.3974 2.6692 2.6692 3.3648 3.3648 3.7969 3.7969 3.9102 3.9102 4.1696 4.1696 4.2502 4.2502 4.4422 4.4422 4.7440 4.7440 7.6159 7.6159 12.5684 12.5684 16.4905 16.4905 17.0616 17.0616 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -5.3974 -5.3974 2.6692 2.6692 3.3648 3.3648 3.7969 3.7969 3.9102 3.9102 4.1696 4.1696 4.2502 4.2502 4.4422 4.4422 4.7440 4.7440 7.6159 7.6159 12.5684 12.5684 16.4905 16.4905 17.0616 17.0616 k = 0.5000-0.2780 0.4158 ( 1964 PWs) bands (ev): -5.3972 -5.3972 2.6694 2.6694 3.3638 3.3638 3.7960 3.7960 3.8991 3.8991 4.1783 4.1783 4.2502 4.2502 4.4417 4.4417 4.7461 4.7461 7.6224 7.6224 12.5704 12.5704 16.4845 16.4845 17.0540 17.0540 k = 0.5000-0.2673 0.4234 ( 1964 PWs) bands (ev): -5.3967 -5.3967 2.6699 2.6699 3.3607 3.3607 3.7918 3.7918 3.8715 3.8715 4.1998 4.1998 4.2502 4.2502 4.4406 4.4406 4.7522 4.7522 7.6419 7.6419 12.5766 12.5766 16.4666 16.4666 17.0295 17.0295 k = 0.5000-0.2566 0.4309 ( 1964 PWs) bands (ev): -5.3959 -5.3959 2.6708 2.6708 3.3555 3.3555 3.7776 3.7776 3.8418 3.8418 4.2251 4.2251 4.2522 4.2522 4.4391 4.4391 4.7619 4.7619 7.6742 7.6742 12.5869 12.5869 16.4365 16.4365 16.9834 16.9834 k = 0.5000-0.2459 0.4385 ( 1962 PWs) bands (ev): -5.3949 -5.3949 2.6720 2.6720 3.3480 3.3480 3.7425 3.7425 3.8262 3.8262 4.2390 4.2390 4.2662 4.2662 4.4379 4.4379 4.7746 4.7746 7.7190 7.7190 12.6013 12.6013 16.3936 16.3936 16.9110 16.9110 k = 0.5000-0.2352 0.4460 ( 1966 PWs) bands (ev): -5.3935 -5.3935 2.6736 2.6736 3.3379 3.3379 3.6930 3.6930 3.8219 3.8219 4.2402 4.2402 4.2905 4.2905 4.4377 4.4377 4.7896 4.7896 7.7759 7.7759 12.6198 12.6198 16.3372 16.3372 16.8110 16.8110 k = 0.5000-0.2245 0.4536 ( 1962 PWs) bands (ev): -5.3918 -5.3918 2.6754 2.6754 3.3250 3.3250 3.6387 3.6387 3.8216 3.8216 4.2390 4.2390 4.3131 4.3131 4.4395 4.4395 4.8062 4.8062 7.8445 7.8445 12.6425 12.6425 16.2661 16.2661 16.6875 16.6875 k = 0.5000-0.2138 0.4612 ( 1964 PWs) bands (ev): -5.3900 -5.3900 2.6775 2.6775 3.3086 3.3086 3.5838 3.5838 3.8230 3.8230 4.2371 4.2371 4.3311 4.3311 4.4442 4.4442 4.8236 4.8236 7.9242 7.9242 12.6693 12.6693 16.1782 16.1782 16.5484 16.5484 k = 0.5000-0.2031 0.4687 ( 1960 PWs) bands (ev): -5.3878 -5.3878 2.6799 2.6799 3.2880 3.2880 3.5311 3.5311 3.8252 3.8252 4.2350 4.2350 4.3439 4.3439 4.4521 4.4521 4.8414 4.8414 8.0143 8.0143 12.7003 12.7003 16.0698 16.0698 16.4032 16.4032 k = 0.5000-0.1925 0.4763 ( 1952 PWs) bands (ev): -5.3855 -5.3855 2.6824 2.6824 3.2623 3.2623 3.4826 3.4826 3.8279 3.8279 4.2331 4.2331 4.3517 4.3517 4.4627 4.4627 4.8590 4.8590 8.1141 8.1141 12.7354 12.7354 15.9373 15.9373 16.2609 16.2609 k = 0.5000-0.1818 0.4838 ( 1952 PWs) bands (ev): -5.3830 -5.3830 2.6850 2.6850 3.2309 3.2309 3.4398 3.4398 3.8309 3.8309 4.2313 4.2313 4.3560 4.3560 4.4750 4.4750 4.8761 4.8761 8.2229 8.2229 12.7748 12.7748 15.7798 15.7798 16.1267 16.1267 k = 0.5000-0.1711 0.4914 ( 1956 PWs) bands (ev): -5.3804 -5.3804 2.6876 2.6876 3.1939 3.1939 3.4034 3.4034 3.8340 3.8340 4.2298 4.2298 4.3580 4.3580 4.4877 4.4877 4.8924 4.8924 8.3400 8.3400 12.8183 12.8183 15.6017 15.6017 16.0000 16.0000 k = 0.5000-0.1604 0.4990 ( 1952 PWs) bands (ev): -5.3777 -5.3777 2.6899 2.6899 3.1530 3.1530 3.3727 3.3727 3.8373 3.8373 4.2288 4.2288 4.3587 4.3587 4.5001 4.5001 4.9076 4.9076 8.4643 8.4643 12.8660 12.8660 15.4095 15.4095 15.8774 15.8774 k = 0.5000-0.1497 0.5065 ( 1956 PWs) bands (ev): -5.3750 -5.3750 2.6919 2.6919 3.1100 3.1100 3.3465 3.3465 3.8406 3.8406 4.2283 4.2283 4.3586 4.3586 4.5116 4.5116 4.9218 4.9218 8.5952 8.5952 12.9178 12.9178 15.2086 15.2086 15.7563 15.7563 k = 0.5000-0.1390 0.5141 ( 1950 PWs) bands (ev): -5.3722 -5.3722 2.6932 2.6932 3.0671 3.0671 3.3234 3.3234 3.8438 3.8438 4.2282 4.2282 4.3582 4.3582 4.5221 4.5221 4.9349 4.9349 8.7315 8.7315 12.9738 12.9738 15.0031 15.0031 15.6352 15.6352 k = 0.5000-0.1283 0.5217 ( 1948 PWs) bands (ev): -5.3694 -5.3694 2.6935 2.6935 3.0261 3.0261 3.3024 3.3024 3.8469 3.8469 4.2287 4.2287 4.3574 4.3574 4.5315 4.5315 4.9468 4.9468 8.8724 8.8724 13.0338 13.0338 14.7958 14.7958 15.5135 15.5135 k = 0.5000-0.1176 0.5292 ( 1948 PWs) bands (ev): -5.3667 -5.3667 2.6923 2.6923 2.9884 2.9884 3.2831 3.2831 3.8499 3.8499 4.2297 4.2297 4.3566 4.3566 4.5397 4.5397 4.9575 4.9575 9.0167 9.0167 13.0978 13.0978 14.5890 14.5890 15.3912 15.3912 k = 0.5000-0.1069 0.5368 ( 1944 PWs) bands (ev): -5.3640 -5.3640 2.6891 2.6891 2.9552 2.9552 3.2651 3.2651 3.8527 3.8527 4.2312 4.2312 4.3558 4.3558 4.5468 4.5468 4.9671 4.9671 9.1631 9.1631 13.1656 13.1656 14.3849 14.3849 15.2685 15.2685 k = 0.5000-0.0962 0.5443 ( 1940 PWs) bands (ev): -5.3615 -5.3615 2.6835 2.6835 2.9275 2.9275 3.2482 3.2482 3.8552 3.8552 4.2330 4.2330 4.3550 4.3550 4.5528 4.5528 4.9756 4.9756 9.3102 9.3102 13.2369 13.2369 14.1855 14.1855 15.1458 15.1458 k = 0.5000-0.0855 0.5519 ( 1940 PWs) bands (ev): -5.3591 -5.3591 2.6753 2.6753 2.9057 2.9057 3.2324 3.2324 3.8575 3.8575 4.2351 4.2351 4.3542 4.3542 4.5578 4.5578 4.9831 4.9831 9.4562 9.4562 13.3110 13.3110 13.9935 13.9935 15.0235 15.0235 k = 0.5000-0.0748 0.5595 ( 1940 PWs) bands (ev): -5.3570 -5.3570 2.6648 2.6648 2.8897 2.8897 3.2178 3.2178 3.8595 3.8595 4.2373 4.2373 4.3534 4.3534 4.5620 4.5620 4.9895 4.9895 9.5991 9.5991 13.3856 13.3856 13.8132 13.8132 14.9020 14.9020 k = 0.5000-0.0642 0.5670 ( 1936 PWs) bands (ev): -5.3550 -5.3550 2.6529 2.6529 2.8788 2.8788 3.2045 3.2045 3.8613 3.8613 4.2396 4.2396 4.3528 4.3528 4.5654 4.5654 4.9950 4.9950 9.7362 9.7362 13.4494 13.4494 13.6589 13.6589 14.7818 14.7818 k = 0.5000-0.0535 0.5746 ( 1938 PWs) bands (ev): -5.3533 -5.3533 2.6406 2.6406 2.8720 2.8720 3.1928 3.1928 3.8628 3.8628 4.2419 4.2419 4.3521 4.3521 4.5680 4.5680 4.9996 4.9996 9.8642 9.8642 13.4225 13.4225 13.6132 13.6132 14.6633 14.6633 k = 0.5000-0.0428 0.5821 ( 1942 PWs) bands (ev): -5.3519 -5.3519 2.6290 2.6290 2.8680 2.8680 3.1828 3.1828 3.8639 3.8639 4.2439 4.2439 4.3515 4.3515 4.5700 4.5700 5.0033 5.0033 9.9794 9.9794 13.3050 13.3050 13.6796 13.6796 14.5473 14.5473 k = 0.5000-0.0321 0.5897 ( 1942 PWs) bands (ev): -5.3508 -5.3508 2.6192 2.6192 2.8660 2.8660 3.1747 3.1747 3.8649 3.8649 4.2456 4.2456 4.3511 4.3511 4.5715 4.5715 5.0062 5.0062 10.0769 10.0769 13.1932 13.1932 13.7659 13.7659 14.4348 14.4348 k = 0.5000-0.0214 0.5973 ( 1950 PWs) bands (ev): -5.3500 -5.3500 2.6116 2.6116 2.8651 2.8651 3.1687 3.1687 3.8654 3.8654 4.2469 4.2469 4.3507 4.3507 4.5725 4.5725 5.0082 5.0082 10.1518 10.1518 13.1062 13.1062 13.8557 13.8557 14.3280 14.3280 k = 0.5000-0.0107 0.6048 ( 1956 PWs) bands (ev): -5.3495 -5.3495 2.6070 2.6070 2.8648 2.8648 3.1650 3.1650 3.8658 3.8658 4.2476 4.2476 4.3504 4.3504 4.5731 4.5731 5.0094 5.0094 10.1992 10.1992 13.0511 13.0511 13.9397 13.9397 14.2341 14.2341 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -5.3493 -5.3493 2.6054 2.6054 2.8646 2.8646 3.1638 3.1638 3.8659 3.8659 4.2479 4.2479 4.3504 4.3504 4.5732 4.5732 5.0098 5.0098 10.2154 10.2154 13.0323 13.0323 13.9840 13.9840 14.1866 14.1866 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -5.3493 -5.3493 2.6054 2.6054 2.8646 2.8646 3.1638 3.1638 3.8659 3.8659 4.2479 4.2479 4.3504 4.3504 4.5732 4.5732 5.0098 5.0098 10.2154 10.2154 13.0323 13.0323 13.9840 13.9840 14.1866 14.1866 k = 0.4934 0.0114 0.6124 ( 1952 PWs) bands (ev): -5.3495 -5.3495 2.6051 2.6051 2.8646 2.8646 3.1634 3.1634 3.8660 3.8660 4.2434 4.2434 4.3546 4.3546 4.5736 4.5736 5.0133 5.0133 10.2076 10.2076 13.0373 13.0373 13.9635 13.9635 14.2135 14.2135 k = 0.4868 0.0228 0.6124 ( 1943 PWs) bands (ev): -5.3499 -5.3499 2.6045 2.6045 2.8646 2.8646 3.1619 3.1619 3.8661 3.8661 4.2318 4.2318 4.3651 4.3651 4.5746 4.5746 5.0243 5.0243 10.1842 10.1842 13.0515 13.0515 13.9254 13.9254 14.2720 14.2720 k = 0.4803 0.0342 0.6124 ( 1935 PWs) bands (ev): -5.3507 -5.3507 2.6035 2.6035 2.8647 2.8647 3.1593 3.1593 3.8660 3.8660 4.2159 4.2159 4.3780 4.3780 4.5766 4.5766 5.0430 5.0430 10.1457 10.1457 13.0728 13.0728 13.8916 13.8916 14.3415 14.3415 k = 0.4737 0.0456 0.6124 ( 1935 PWs) bands (ev): -5.3516 -5.3516 2.6022 2.6022 2.8651 2.8651 3.1554 3.1554 3.8657 3.8657 4.1980 4.1980 4.3906 4.3906 4.5794 4.5794 5.0694 5.0694 10.0934 10.0934 13.0980 13.0980 13.8713 13.8713 14.4152 14.4152 k = 0.4671 0.0570 0.6124 ( 1937 PWs) bands (ev): -5.3527 -5.3527 2.6008 2.6008 2.8659 2.8659 3.1503 3.1503 3.8652 3.8652 4.1793 4.1793 4.4017 4.4017 4.5830 4.5830 5.1033 5.1033 10.0291 10.0291 13.1228 13.1228 13.8695 13.8695 14.4907 14.4907 k = 0.4605 0.0684 0.6124 ( 1935 PWs) bands (ev): -5.3540 -5.3540 2.5992 2.5992 2.8672 2.8672 3.1441 3.1441 3.8644 3.8644 4.1604 4.1604 4.4106 4.4106 4.5873 4.5873 5.1442 5.1442 9.9549 9.9549 13.1432 13.1432 13.8895 13.8895 14.5665 14.5665 k = 0.4539 0.0798 0.6124 ( 1935 PWs) bands (ev): -5.3553 -5.3553 2.5974 2.5974 2.8692 2.8692 3.1369 3.1369 3.8635 3.8635 4.1419 4.1419 4.4174 4.4174 4.5918 4.5918 5.1911 5.1911 9.8732 9.8732 13.1562 13.1562 13.9326 13.9326 14.6418 14.6418 k = 0.4474 0.0912 0.6124 ( 1937 PWs) bands (ev): -5.3567 -5.3567 2.5955 2.5955 2.8718 2.8718 3.1289 3.1289 3.8624 3.8624 4.1240 4.1240 4.4223 4.4223 4.5964 4.5964 5.2427 5.2427 9.7862 9.7862 13.1613 13.1613 13.9976 13.9976 14.7158 14.7158 k = 0.4408 0.1026 0.6124 ( 1941 PWs) bands (ev): -5.3581 -5.3581 2.5936 2.5936 2.8751 2.8751 3.1202 3.1202 3.8612 3.8612 4.1070 4.1070 4.4257 4.4257 4.6008 4.6008 5.2979 5.2979 9.6964 9.6964 13.1598 13.1598 14.0816 14.0816 14.7879 14.7879 k = 0.4342 0.1140 0.6124 ( 1943 PWs) bands (ev): -5.3595 -5.3595 2.5916 2.5916 2.8791 2.8791 3.1111 3.1111 3.8598 3.8598 4.0911 4.0911 4.4280 4.4280 4.6048 4.6048 5.3550 5.3550 9.6060 9.6060 13.1535 13.1535 14.1805 14.1805 14.8572 14.8572 k = 0.4276 0.1253 0.6124 ( 1943 PWs) bands (ev): -5.3608 -5.3608 2.5897 2.5897 2.8835 2.8835 3.1018 3.1018 3.8583 3.8583 4.0766 4.0766 4.4295 4.4295 4.6085 4.6085 5.4124 5.4124 9.5172 9.5172 13.1444 13.1444 14.2904 14.2904 14.9231 14.9231 k = 0.4211 0.1367 0.6124 ( 1935 PWs) bands (ev): -5.3620 -5.3620 2.5879 2.5879 2.8885 2.8885 3.0925 3.0925 3.8569 3.8569 4.0636 4.0636 4.4304 4.4304 4.6117 4.6117 5.4687 5.4687 9.4323 9.4323 13.1342 13.1342 14.4074 14.4074 14.9849 14.9849 k = 0.4145 0.1481 0.6124 ( 1935 PWs) bands (ev): -5.3632 -5.3632 2.5861 2.5861 2.8936 2.8936 3.0834 3.0834 3.8554 3.8554 4.0521 4.0521 4.4309 4.4309 4.6144 4.6144 5.5221 5.5221 9.3534 9.3534 13.1238 13.1238 14.5276 14.5276 15.0420 15.0420 k = 0.4079 0.1595 0.6124 ( 1938 PWs) bands (ev): -5.3642 -5.3642 2.5846 2.5846 2.8988 2.8988 3.0748 3.0748 3.8540 3.8540 4.0422 4.0422 4.4312 4.4312 4.6167 4.6167 5.5709 5.5709 9.2823 9.2823 13.1141 13.1141 14.6468 14.6468 15.0939 15.0939 k = 0.4013 0.1709 0.6124 ( 1938 PWs) bands (ev): -5.3650 -5.3650 2.5832 2.5832 2.9038 2.9038 3.0670 3.0670 3.8528 3.8528 4.0341 4.0341 4.4313 4.4313 4.6185 4.6185 5.6136 5.6136 9.2210 9.2210 13.1057 13.1057 14.7596 14.7596 15.1405 15.1405 k = 0.3947 0.1823 0.6124 ( 1938 PWs) bands (ev): -5.3657 -5.3657 2.5821 2.5821 2.9082 2.9082 3.0604 3.0604 3.8517 3.8517 4.0277 4.0277 4.4313 4.4313 4.6200 4.6200 5.6486 5.6486 9.1713 9.1713 13.0989 13.0989 14.8594 14.8594 15.1814 15.1814 k = 0.3882 0.1937 0.6124 ( 1934 PWs) bands (ev): -5.3662 -5.3662 2.5813 2.5813 2.9118 2.9118 3.0553 3.0553 3.8510 3.8510 4.0232 4.0232 4.4313 4.4313 4.6209 4.6209 5.6747 5.6747 9.1346 9.1346 13.0938 13.0938 14.9380 14.9380 15.2161 15.2161 k = 0.3816 0.2051 0.6124 ( 1938 PWs) bands (ev): -5.3664 -5.3664 2.5809 2.5809 2.9141 2.9141 3.0520 3.0520 3.8505 3.8505 4.0204 4.0204 4.4312 4.4312 4.6215 4.6215 5.6908 5.6908 9.1121 9.1121 13.0908 13.0908 14.9878 14.9878 15.2412 15.2412 k = 0.3750 0.2165 0.6124 ( 1938 PWs) bands (ev): -5.3665 -5.3665 2.5807 2.5807 2.9149 2.9149 3.0509 3.0509 3.8503 3.8503 4.0195 4.0195 4.4312 4.4312 4.6217 4.6217 5.6962 5.6962 9.1046 9.1046 13.0897 13.0897 15.0047 15.0047 15.2507 15.2507 k = 0.3750 0.2165 0.6124 ( 1938 PWs) bands (ev): -5.3665 -5.3665 2.5807 2.5807 2.9149 2.9149 3.0509 3.0509 3.8503 3.8503 4.0195 4.0195 4.4312 4.4312 4.6217 4.6217 5.6962 5.6962 9.1046 9.1046 13.0897 13.0897 15.0047 15.0047 15.2507 15.2507 k = 0.3683 0.2126 0.6014 ( 1938 PWs) bands (ev): -5.3663 -5.3663 2.5413 2.5413 2.8962 2.8962 3.0276 3.0276 3.8581 3.8581 4.0143 4.0143 4.4522 4.4522 4.6221 4.6221 5.7790 5.7790 9.2122 9.2122 13.1070 13.1070 14.8775 14.8775 15.1368 15.1368 k = 0.3616 0.2088 0.5905 ( 1930 PWs) bands (ev): -5.3666 -5.3666 2.4980 2.4980 2.8818 2.8818 3.0084 3.0084 3.8658 3.8658 4.0100 4.0100 4.4744 4.4744 4.6221 4.6221 5.8618 5.8618 9.3190 9.3190 13.1156 13.1156 14.7489 14.7489 15.0272 15.0272 k = 0.3549 0.2049 0.5796 ( 1938 PWs) bands (ev): -5.3675 -5.3675 2.4528 2.4528 2.8694 2.8694 2.9937 2.9937 3.8734 3.8734 4.0064 4.0064 4.4977 4.4977 4.6219 4.6219 5.9443 5.9443 9.4251 9.4251 13.1148 13.1148 14.6201 14.6201 14.9213 14.9213 k = 0.3482 0.2010 0.5686 ( 1947 PWs) bands (ev): -5.3693 -5.3693 2.4074 2.4074 2.8571 2.8571 2.9842 2.9842 3.8804 3.8804 4.0036 4.0036 4.5220 4.5220 4.6215 4.6215 6.0263 6.0263 9.5304 9.5304 13.1041 13.1041 14.4921 14.4921 14.8188 14.8188 k = 0.3415 0.1972 0.5577 ( 1947 PWs) bands (ev): -5.3717 -5.3717 2.3631 2.3631 2.8443 2.8443 2.9797 2.9797 3.8869 3.8869 4.0016 4.0016 4.5475 4.5475 4.6211 4.6211 6.1075 6.1075 9.6349 9.6349 13.0833 13.0833 14.3657 14.3657 14.7196 14.7196 k = 0.3348 0.1933 0.5468 ( 1939 PWs) bands (ev): -5.3751 -5.3751 2.3209 2.3209 2.8308 2.8308 2.9798 2.9798 3.8925 3.8925 4.0005 4.0005 4.5739 4.5739 4.6207 4.6207 6.1877 6.1877 9.7387 9.7387 13.0528 13.0528 14.2418 14.2418 14.6234 14.6234 k = 0.3281 0.1894 0.5358 ( 1951 PWs) bands (ev): -5.3794 -5.3794 2.2815 2.2815 2.8171 2.8171 2.9833 2.9833 3.8971 3.8971 4.0001 4.0001 4.6009 4.6009 4.6205 4.6205 6.2663 6.2663 9.8420 9.8420 13.0131 13.0131 14.1210 14.1210 14.5302 14.5302 k = 0.3214 0.1856 0.5249 ( 1951 PWs) bands (ev): -5.3846 -5.3846 2.2454 2.2454 2.8037 2.8037 2.9896 2.9896 3.9006 3.9006 4.0004 4.0004 4.6176 4.6176 4.6315 4.6315 6.3433 6.3433 9.9448 9.9448 12.9650 12.9650 14.0038 14.0038 14.4401 14.4401 k = 0.3147 0.1817 0.5140 ( 1947 PWs) bands (ev): -5.3908 -5.3908 2.2130 2.2130 2.7910 2.7910 2.9981 2.9981 3.9030 3.9030 4.0015 4.0015 4.6179 4.6179 4.6599 4.6599 6.4182 6.4182 10.0474 10.0474 12.9094 12.9094 13.8908 13.8908 14.3532 14.3532 k = 0.3080 0.1778 0.5030 ( 1951 PWs) bands (ev): -5.3981 -5.3981 2.1847 2.1847 2.7794 2.7794 3.0081 3.0081 3.9042 3.9042 4.0030 4.0030 4.6175 4.6175 4.6897 4.6897 6.4905 6.4905 10.1499 10.1499 12.8472 12.8472 13.7824 13.7824 14.2695 14.2695 k = 0.3013 0.1740 0.4921 ( 1949 PWs) bands (ev): -5.4065 -5.4065 2.1607 2.1607 2.7691 2.7691 3.0195 3.0195 3.9045 3.9045 4.0050 4.0050 4.6170 4.6170 4.7204 4.7204 6.5601 6.5601 10.2525 10.2525 12.7794 12.7794 13.6794 13.6794 14.1892 14.1892 k = 0.2946 0.1701 0.4811 ( 1953 PWs) bands (ev): -5.4159 -5.4159 2.1412 2.1412 2.7603 2.7603 3.0318 3.0318 3.9039 3.9039 4.0070 4.0070 4.6166 4.6166 4.7516 4.7516 6.6264 6.6264 10.3555 10.3555 12.7066 12.7066 13.5821 13.5821 14.1125 14.1125 k = 0.2879 0.1662 0.4702 ( 1955 PWs) bands (ev): -5.4265 -5.4265 2.1262 2.1262 2.7531 2.7531 3.0450 3.0450 3.9026 3.9026 4.0090 4.0090 4.6162 4.6162 4.7834 4.7834 6.6891 6.6891 10.4590 10.4590 12.6296 12.6296 13.4911 13.4911 14.0395 14.0395 k = 0.2812 0.1624 0.4593 ( 1953 PWs) bands (ev): -5.4381 -5.4381 2.1161 2.1161 2.7475 2.7475 3.0588 3.0588 3.9008 3.9008 4.0108 4.0108 4.6158 4.6158 4.8157 4.8157 6.7478 6.7478 10.5632 10.5632 12.5490 12.5490 13.4070 13.4070 13.9703 13.9703 k = 0.2746 0.1585 0.4483 ( 1947 PWs) bands (ev): -5.4509 -5.4509 2.1107 2.1107 2.7436 2.7436 3.0733 3.0733 3.8985 3.8985 4.0124 4.0124 4.6156 4.6156 4.8483 4.8483 6.8020 6.8020 10.6684 10.6684 12.4652 12.4652 13.3304 13.3304 13.9051 13.9051 k = 0.2679 0.1546 0.4374 ( 1947 PWs) bands (ev): -5.4648 -5.4648 2.1102 2.1102 2.7415 2.7415 3.0882 3.0882 3.8959 3.8959 4.0134 4.0134 4.6154 4.6154 4.8811 4.8811 6.8514 6.8514 10.7746 10.7746 12.3786 12.3786 13.2619 13.2619 13.8441 13.8441 k = 0.2612 0.1508 0.4265 ( 1951 PWs) bands (ev): -5.4797 -5.4797 2.1145 2.1145 2.7412 2.7412 3.1035 3.1035 3.8930 3.8930 4.0138 4.0138 4.6153 4.6153 4.9140 4.9140 6.8955 6.8955 10.8820 10.8820 12.2895 12.2895 13.2019 13.2019 13.7874 13.7874 k = 0.2545 0.1469 0.4155 ( 1951 PWs) bands (ev): -5.4957 -5.4957 2.1237 2.1237 2.7427 2.7427 3.1191 3.1191 3.8900 3.8900 4.0137 4.0137 4.6153 4.6153 4.9470 4.9470 6.9341 6.9341 10.9907 10.9907 12.1982 12.1982 13.1511 13.1511 13.7352 13.7352 k = 0.2478 0.1430 0.4046 ( 1955 PWs) bands (ev): -5.5126 -5.5126 2.1376 2.1376 2.7459 2.7459 3.1349 3.1349 3.8869 3.8869 4.0130 4.0130 4.6155 4.6155 4.9799 4.9799 6.9667 6.9667 11.1006 11.1006 12.1049 12.1049 13.1099 13.1099 13.6876 13.6876 k = 0.2411 0.1392 0.3937 ( 1955 PWs) bands (ev): -5.5305 -5.5305 2.1563 2.1563 2.7510 2.7510 3.1509 3.1509 3.8838 3.8838 4.0117 4.0117 4.6158 4.6158 5.0127 5.0127 6.9932 6.9932 11.2117 11.2117 12.0101 12.0101 13.0787 13.0787 13.6448 13.6448 k = 0.2344 0.1353 0.3827 ( 1953 PWs) bands (ev): -5.5492 -5.5492 2.1797 2.1797 2.7578 2.7578 3.1671 3.1671 3.8807 3.8807 4.0098 4.0098 4.6163 4.6163 5.0452 5.0452 7.0133 7.0133 11.3232 11.3232 11.9146 11.9146 13.0579 13.0579 13.6069 13.6069 k = 0.2277 0.1315 0.3718 ( 1949 PWs) bands (ev): -5.5687 -5.5687 2.2075 2.2075 2.7665 2.7665 3.1833 3.1833 3.8776 3.8776 4.0073 4.0073 4.6170 4.6170 5.0773 5.0773 7.0268 7.0268 11.4328 11.4328 11.8209 11.8209 13.0475 13.0475 13.5740 13.5740 k = 0.2210 0.1276 0.3609 ( 1949 PWs) bands (ev): -5.5889 -5.5889 2.2398 2.2398 2.7769 2.7769 3.1996 3.1996 3.8747 3.8747 4.0043 4.0043 4.6179 4.6179 5.1089 5.1089 7.0338 7.0338 11.5279 11.5279 11.7417 11.7417 13.0477 13.0477 13.5463 13.5463 k = 0.2143 0.1237 0.3499 ( 1953 PWs) bands (ev): -5.6098 -5.6098 2.2762 2.2762 2.7890 2.7890 3.2158 3.2158 3.8719 3.8719 4.0007 4.0007 4.6192 4.6192 5.1400 5.1400 7.0342 7.0342 11.5425 11.5425 11.7432 11.7432 13.0586 13.0586 13.5238 13.5238 k = 0.2076 0.1199 0.3390 ( 1953 PWs) bands (ev): -5.6313 -5.6313 2.3167 2.3167 2.8028 2.8028 3.2320 3.2320 3.8694 3.8694 3.9967 3.9967 4.6208 4.6208 5.1703 5.1703 7.0282 7.0282 11.4639 11.4639 11.8381 11.8381 13.0801 13.0801 13.5068 13.5068 k = 0.2009 0.1160 0.3281 ( 1953 PWs) bands (ev): -5.6533 -5.6533 2.3611 2.3611 2.8182 2.8182 3.2480 3.2480 3.8670 3.8670 3.9924 3.9924 4.6229 4.6229 5.1999 5.1999 7.0159 7.0159 11.3631 11.3631 11.9553 11.9553 13.1120 13.1120 13.4954 13.4954 k = 0.1942 0.1121 0.3171 ( 1947 PWs) bands (ev): -5.6756 -5.6756 2.4091 2.4091 2.8353 2.8353 3.2639 3.2639 3.8650 3.8650 3.9878 3.9878 4.6255 4.6255 5.2287 5.2287 6.9976 6.9976 11.2558 11.2558 12.0792 12.0792 13.1541 13.1541 13.4897 13.4897 k = 0.1875 0.1083 0.3062 ( 1951 PWs) bands (ev): -5.6982 -5.6982 2.4604 2.4604 2.8539 2.8539 3.2795 3.2795 3.8632 3.8632 3.9828 3.9828 4.6287 4.6287 5.2565 5.2565 6.9737 6.9737 11.1448 11.1448 12.2069 12.2069 13.2059 13.2059 13.4900 13.4900 k = 0.1808 0.1044 0.2953 ( 1947 PWs) bands (ev): -5.7210 -5.7210 2.5147 2.5147 2.8741 2.8741 3.2949 3.2949 3.8618 3.8618 3.9777 3.9777 4.6326 4.6326 5.2833 5.2833 6.9444 6.9444 11.0311 11.0311 12.3375 12.3375 13.2668 13.2668 13.4966 13.4966 k = 0.1741 0.1005 0.2843 ( 1957 PWs) bands (ev): -5.7439 -5.7439 2.5717 2.5717 2.8955 2.8955 3.3100 3.3100 3.8607 3.8607 3.9724 3.9724 4.6373 4.6373 5.3092 5.3092 6.9103 6.9103 10.9151 10.9151 12.4703 12.4703 13.3360 13.3360 13.5101 13.5101 k = 0.1674 0.0967 0.2734 ( 1957 PWs) bands (ev): -5.7669 -5.7669 2.6311 2.6311 2.9183 2.9183 3.3249 3.3249 3.8601 3.8601 3.9672 3.9672 4.6431 4.6431 5.3339 5.3339 6.8719 6.8719 10.7969 10.7969 12.6053 12.6053 13.4112 13.4112 13.5324 13.5324 k = 0.1607 0.0928 0.2624 ( 1955 PWs) bands (ev): -5.7897 -5.7897 2.6925 2.6925 2.9423 2.9423 3.3395 3.3395 3.8598 3.8598 3.9622 3.9622 4.6500 4.6500 5.3576 5.3576 6.8296 6.8296 10.6766 10.6766 12.7420 12.7420 13.4858 13.4858 13.5699 13.5699 k = 0.1540 0.0889 0.2515 ( 1951 PWs) bands (ev): -5.8124 -5.8124 2.7553 2.7553 2.9675 2.9675 3.3538 3.3538 3.8599 3.8599 3.9572 3.9572 4.6581 4.6581 5.3802 5.3802 6.7840 6.7840 10.5544 10.5544 12.8802 12.8802 13.5450 13.5450 13.6369 13.6369 k = 0.1473 0.0851 0.2406 ( 1957 PWs) bands (ev): -5.8348 -5.8348 2.8191 2.8191 2.9936 2.9936 3.3680 3.3680 3.8605 3.8605 3.9525 3.9525 4.6675 4.6675 5.4018 5.4018 6.7357 6.7357 10.4304 10.4304 13.0194 13.0194 13.5915 13.5915 13.7307 13.7307 k = 0.1406 0.0812 0.2296 ( 1957 PWs) bands (ev): -5.8569 -5.8569 2.8832 2.8832 3.0205 3.0205 3.3821 3.3821 3.8614 3.8614 3.9482 3.9482 4.6784 4.6784 5.4224 5.4224 6.6852 6.6852 10.3046 10.3046 13.1592 13.1592 13.6379 13.6379 13.8383 13.8383 k = 0.1339 0.0773 0.2187 ( 1955 PWs) bands (ev): -5.8785 -5.8785 2.9470 2.9470 3.0482 3.0482 3.3964 3.3964 3.8628 3.8628 3.9443 3.9443 4.6909 4.6909 5.4421 5.4421 6.6331 6.6331 10.1773 10.1773 13.2988 13.2988 13.6893 13.6893 13.9547 13.9547 k = 0.1272 0.0735 0.2078 ( 1955 PWs) bands (ev): -5.8996 -5.8996 3.0096 3.0096 3.0764 3.0764 3.4111 3.4111 3.8646 3.8646 3.9409 3.9409 4.7049 4.7049 5.4610 5.4610 6.5801 6.5801 10.0487 10.0487 13.4367 13.4367 13.7478 13.7478 14.0782 14.0782 k = 0.1205 0.0696 0.1968 ( 1955 PWs) bands (ev): -5.9201 -5.9201 3.0698 3.0698 3.1053 3.1053 3.4267 3.4267 3.8667 3.8667 3.9380 3.9380 4.7206 4.7206 5.4794 5.4794 6.5266 6.5266 9.9189 9.9189 13.5708 13.5708 13.8158 13.8158 14.2078 14.2078 k = 0.1138 0.0657 0.1859 ( 1957 PWs) bands (ev): -5.9399 -5.9399 3.1236 3.1236 3.1374 3.1374 3.4439 3.4439 3.8692 3.8692 3.9358 3.9358 4.7377 4.7377 5.4976 5.4976 6.4732 6.4732 9.7883 9.7883 13.6973 13.6973 13.8968 13.8968 14.3429 14.3429 k = 0.1071 0.0619 0.1750 ( 1953 PWs) bands (ev): -5.9590 -5.9590 3.1583 3.1583 3.1839 3.1839 3.4635 3.4635 3.8721 3.8721 3.9343 3.9343 4.7560 4.7560 5.5159 5.5159 6.4207 6.4207 9.6572 9.6572 13.8116 13.8116 13.9946 13.9946 14.4828 14.4828 k = 0.1004 0.0580 0.1640 ( 1953 PWs) bands (ev): -5.9772 -5.9772 3.1866 3.1866 3.2304 3.2304 3.4867 3.4867 3.8752 3.8752 3.9334 3.9334 4.7751 4.7751 5.5349 5.5349 6.3695 6.3695 9.5260 9.5260 13.9134 13.9134 14.1089 14.1089 14.6270 14.6270 k = 0.0938 0.0541 0.1531 ( 1953 PWs) bands (ev): -5.9946 -5.9946 3.2135 3.2135 3.2702 3.2702 3.5143 3.5143 3.8786 3.8786 3.9332 3.9332 4.7945 4.7945 5.5550 5.5550 6.3201 6.3201 9.3950 9.3950 14.0077 14.0077 14.2335 14.2335 14.7749 14.7749 k = 0.0871 0.0503 0.1422 ( 1957 PWs) bands (ev): -6.0111 -6.0111 3.2391 3.2391 3.3023 3.3023 3.5465 3.5465 3.8823 3.8823 3.9336 3.9336 4.8133 4.8133 5.5770 5.5770 6.2732 6.2732 9.2649 9.2649 14.1000 14.1000 14.3619 14.3619 14.9258 14.9258 k = 0.0804 0.0464 0.1312 ( 1959 PWs) bands (ev): -6.0265 -6.0265 3.2634 3.2634 3.3273 3.3273 3.5829 3.5829 3.8862 3.8862 3.9345 3.9345 4.8306 4.8306 5.6016 5.6016 6.2292 6.2292 9.1363 9.1363 14.1931 14.1931 14.4895 14.4895 15.0790 15.0790 k = 0.0737 0.0425 0.1203 ( 1957 PWs) bands (ev): -6.0409 -6.0409 3.2860 3.2860 3.3462 3.3462 3.6220 3.6220 3.8902 3.8902 3.9359 3.9359 4.8455 4.8455 5.6295 5.6295 6.1885 6.1885 9.0098 9.0098 14.2885 14.2885 14.6131 14.6131 15.2336 15.2336 k = 0.0670 0.0387 0.1094 ( 1961 PWs) bands (ev): -6.0542 -6.0542 3.3067 3.3067 3.3605 3.3605 3.6622 3.6622 3.8944 3.8944 3.9376 3.9376 4.8572 4.8572 5.6611 5.6611 6.1514 6.1514 8.8863 8.8863 14.3866 14.3866 14.7299 14.7299 15.3317 15.3317 k = 0.0603 0.0348 0.0984 ( 1955 PWs) bands (ev): -6.0664 -6.0664 3.3256 3.3256 3.3714 3.3714 3.7023 3.7023 3.8986 3.8986 3.9397 3.9397 4.8651 4.8651 5.6965 5.6965 6.1181 6.1181 8.7667 8.7667 14.4874 14.4874 14.8375 14.8375 15.3159 15.3159 k = 0.0536 0.0309 0.0875 ( 1947 PWs) bands (ev): -6.0774 -6.0774 3.3424 3.3424 3.3798 3.3798 3.7413 3.7413 3.9027 3.9027 3.9419 3.9419 4.8687 4.8687 5.7355 5.7355 6.0888 6.0888 8.6523 8.6523 14.5903 14.5903 14.9335 14.9335 15.3022 15.3022 k = 0.0469 0.0271 0.0765 ( 1947 PWs) bands (ev): -6.0872 -6.0872 3.3570 3.3570 3.3863 3.3863 3.7783 3.7783 3.9067 3.9067 3.9440 3.9440 4.8685 4.8685 5.7772 5.7772 6.0635 6.0635 8.5444 8.5444 14.6945 14.6945 15.0158 15.0158 15.2910 15.2910 k = 0.0402 0.0232 0.0656 ( 1947 PWs) bands (ev): -6.0957 -6.0957 3.3695 3.3695 3.3913 3.3913 3.8126 3.8126 3.9103 3.9103 3.9460 3.9460 4.8648 4.8648 5.8202 5.8202 6.0421 6.0421 8.4446 8.4446 14.7986 14.7986 15.0831 15.0831 15.2827 15.2827 k = 0.0335 0.0193 0.0547 ( 1947 PWs) bands (ev): -6.1030 -6.1030 3.3799 3.3799 3.3951 3.3951 3.8434 3.8434 3.9136 3.9136 3.9479 3.9479 4.8587 4.8587 5.8626 5.8626 6.0244 6.0244 8.3547 8.3547 14.9007 14.9007 15.1346 15.1346 15.2782 15.2782 k = 0.0268 0.0155 0.0437 ( 1941 PWs) bands (ev): -6.1089 -6.1089 3.3883 3.3883 3.3981 3.3981 3.8702 3.8702 3.9165 3.9165 3.9496 3.9496 4.8513 4.8513 5.9022 5.9022 6.0103 6.0103 8.2767 8.2767 14.9972 14.9972 15.1702 15.1702 15.2789 15.2789 k = 0.0201 0.0116 0.0328 ( 1937 PWs) bands (ev): -6.1136 -6.1136 3.3947 3.3947 3.4002 3.4002 3.8920 3.8920 3.9187 3.9187 3.9509 3.9509 4.8438 4.8438 5.9365 5.9365 5.9995 5.9995 8.2129 8.2129 15.0832 15.0832 15.1912 15.1912 15.2858 15.2858 k = 0.0134 0.0077 0.0219 ( 1937 PWs) bands (ev): -6.1170 -6.1170 3.3992 3.3992 3.4017 3.4017 3.9083 3.9083 3.9204 3.9204 3.9519 3.9519 4.8375 4.8375 5.9632 5.9632 5.9920 5.9920 8.1654 8.1654 15.1510 15.1510 15.2014 15.2014 15.2977 15.2977 k = 0.0067 0.0039 0.0109 ( 1917 PWs) bands (ev): -6.1190 -6.1190 3.4020 3.4020 3.4027 3.4027 3.9185 3.9185 3.9215 3.9215 3.9526 3.9526 4.8333 4.8333 5.9802 5.9802 5.9875 5.9875 8.1360 8.1360 15.1929 15.1929 15.2054 15.2054 15.3106 15.3106 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -6.1196 -6.1196 3.4029 3.4029 3.4029 3.4029 3.9218 3.9218 3.9218 3.9218 3.9528 3.9528 4.8318 4.8318 5.9860 5.9860 5.9860 5.9860 8.1260 8.1260 15.2065 15.2065 15.2065 15.2065 15.3168 15.3168 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -6.1196 -6.1196 3.4029 3.4029 3.4029 3.4029 3.9218 3.9218 3.9218 3.9218 3.9528 3.9528 4.8318 4.8318 5.9860 5.9860 5.9860 5.9860 8.1260 8.1260 15.2065 15.2065 15.2065 15.2065 15.3168 15.3168 k = 0.0109 0.0063 0.0044 ( 1917 PWs) bands (ev): -6.1190 -6.1190 3.4022 3.4022 3.4025 3.4025 3.9186 3.9186 3.9214 3.9214 3.9526 3.9526 4.8333 4.8333 5.9798 5.9798 5.9879 5.9879 8.1359 8.1359 15.1922 15.1922 15.2063 15.2063 15.3108 15.3108 k = 0.0217 0.0126 0.0089 ( 1938 PWs) bands (ev): -6.1170 -6.1170 3.3999 3.3999 3.4010 3.4010 3.9089 3.9089 3.9199 3.9199 3.9519 3.9519 4.8374 4.8374 5.9619 5.9619 5.9936 5.9936 8.1648 8.1648 15.1472 15.1472 15.2057 15.2057 15.2984 15.2984 k = 0.0326 0.0188 0.0133 ( 1947 PWs) bands (ev): -6.1137 -6.1137 3.3962 3.3962 3.3988 3.3988 3.8933 3.8933 3.9177 3.9177 3.9509 3.9509 4.8434 4.8434 5.9341 5.9341 6.0030 6.0030 8.2116 8.2116 15.0738 15.0738 15.2042 15.2042 15.2851 15.2851 k = 0.0435 0.0251 0.0177 ( 1947 PWs) bands (ev): -6.1091 -6.1091 3.3910 3.3910 3.3956 3.3956 3.8723 3.8723 3.9149 3.9149 3.9494 3.9494 4.8501 4.8501 5.8990 5.8990 6.0160 6.0160 8.2742 8.2742 14.9802 14.9802 15.2010 15.2010 15.2702 15.2702 k = 0.0543 0.0314 0.0222 ( 1947 PWs) bands (ev): -6.1032 -6.1032 3.3843 3.3843 3.3914 3.3914 3.8464 3.8464 3.9115 3.9115 3.9476 3.9476 4.8557 4.8557 5.8601 5.8601 6.0325 6.0325 8.3503 8.3503 14.8743 14.8743 15.1952 15.1952 15.2507 15.2507 k = 0.0652 0.0377 0.0266 ( 1947 PWs) bands (ev): -6.0960 -6.0960 3.3761 3.3761 3.3859 3.3859 3.8163 3.8163 3.9078 3.9078 3.9452 3.9452 4.8585 4.8585 5.8209 5.8209 6.0523 6.0523 8.4377 8.4377 14.7614 14.7614 15.1852 15.1852 15.2236 15.2236 k = 0.0761 0.0439 0.0311 ( 1947 PWs) bands (ev): -6.0875 -6.0875 3.3662 3.3662 3.3792 3.3792 3.7825 3.7825 3.9038 3.9038 3.9423 3.9423 4.8565 4.8565 5.7850 5.7850 6.0753 6.0753 8.5341 8.5341 14.6446 14.6446 15.1690 15.1690 15.1861 15.1861 k = 0.0870 0.0502 0.0355 ( 1953 PWs) bands (ev): -6.0778 -6.0778 3.3548 3.3548 3.3709 3.3709 3.7455 3.7455 3.8999 3.8999 3.9388 3.9388 4.8479 4.8479 5.7556 5.7556 6.1011 6.1011 8.6377 8.6377 14.5264 14.5264 15.1362 15.1362 15.1444 15.1444 k = 0.0978 0.0565 0.0399 ( 1959 PWs) bands (ev): -6.0670 -6.0670 3.3417 3.3417 3.3610 3.3610 3.7056 3.7056 3.8962 3.8962 3.9348 3.9348 4.8316 4.8316 5.7352 5.7352 6.1297 6.1297 8.7467 8.7467 14.4080 14.4080 15.0731 15.0731 15.1091 15.1091 k = 0.1087 0.0628 0.0444 ( 1958 PWs) bands (ev): -6.0549 -6.0549 3.3271 3.3271 3.3493 3.3493 3.6629 3.6629 3.8928 3.8928 3.9302 3.9302 4.8076 4.8076 5.7252 5.7252 6.1608 6.1608 8.8597 8.8597 14.2908 14.2908 14.9972 14.9972 15.0612 15.0612 k = 0.1196 0.0690 0.0488 ( 1958 PWs) bands (ev): -6.0417 -6.0417 3.3110 3.3110 3.3358 3.3358 3.6175 3.6175 3.8899 3.8899 3.9250 3.9250 4.7765 4.7765 5.7259 5.7259 6.1941 6.1941 8.9754 8.9754 14.1754 14.1754 14.9102 14.9102 15.0001 15.0001 k = 0.1304 0.0753 0.0532 ( 1952 PWs) bands (ev): -6.0274 -6.0274 3.2935 3.2935 3.3202 3.3202 3.5693 3.5693 3.8877 3.8877 3.9194 3.9194 4.7403 4.7403 5.7365 5.7365 6.2294 6.2294 9.0925 9.0925 14.0627 14.0627 14.8144 14.8144 14.9261 14.9261 k = 0.1413 0.0816 0.0577 ( 1952 PWs) bands (ev): -6.0121 -6.0121 3.2746 3.2746 3.3026 3.3026 3.5180 3.5180 3.8861 3.8861 3.9134 3.9134 4.7011 4.7011 5.7558 5.7558 6.2665 6.2665 9.2101 9.2101 13.9531 13.9531 14.7120 14.7120 14.8411 14.8411 k = 0.1522 0.0879 0.0621 ( 1946 PWs) bands (ev): -5.9957 -5.9957 3.2545 3.2545 3.2828 3.2828 3.4634 3.4634 3.8853 3.8853 3.9071 3.9071 4.6609 4.6609 5.7821 5.7821 6.3052 6.3052 9.3271 9.3271 13.8474 13.8474 14.6050 14.6050 14.7471 14.7471 k = 0.1630 0.0941 0.0666 ( 1952 PWs) bands (ev): -5.9785 -5.9785 3.2333 3.2333 3.2611 3.2611 3.4052 3.4052 3.8851 3.8851 3.9008 3.9008 4.6218 4.6218 5.8141 5.8141 6.3453 6.3453 9.4425 9.4425 13.7460 13.7460 14.4950 14.4950 14.6464 14.6464 k = 0.1739 0.1004 0.0710 ( 1946 PWs) bands (ev): -5.9603 -5.9603 3.2113 3.2113 3.2376 3.2376 3.3433 3.3433 3.8858 3.8858 3.8947 3.8947 4.5850 4.5850 5.8506 5.8506 6.3865 6.3865 9.5556 9.5556 13.6494 13.6494 14.3834 14.3834 14.5412 14.5412 k = 0.1848 0.1067 0.0754 ( 1943 PWs) bands (ev): -5.9413 -5.9413 3.1885 3.1885 3.2124 3.2124 3.2776 3.2776 3.8871 3.8871 3.8890 3.8890 4.5517 4.5517 5.8904 5.8904 6.4287 6.4287 9.6652 9.6652 13.5582 13.5582 14.2711 14.2711 14.4329 14.4329 k = 0.1957 0.1130 0.0799 ( 1943 PWs) bands (ev): -5.9215 -5.9215 3.1650 3.1650 3.1856 3.1856 3.2086 3.2086 3.8839 3.8839 3.8892 3.8892 4.5223 4.5223 5.9328 5.9328 6.4716 6.4716 9.7706 9.7706 13.4730 13.4730 14.1590 14.1590 14.3231 14.3231 k = 0.2065 0.1192 0.0843 ( 1949 PWs) bands (ev): -5.9011 -5.9011 3.1350 3.1350 3.1411 3.1411 3.1589 3.1589 3.8795 3.8795 3.8918 3.8918 4.4970 4.4970 5.9771 5.9771 6.5151 6.5151 9.8708 9.8708 13.3941 13.3941 14.0478 14.0478 14.2127 14.2127 k = 0.2174 0.1255 0.0887 ( 1949 PWs) bands (ev): -5.8801 -5.8801 3.0597 3.0597 3.1169 3.1169 3.1303 3.1303 3.8760 3.8760 3.8950 3.8950 4.4756 4.4756 6.0227 6.0227 6.5589 6.5589 9.9649 9.9649 13.3221 13.3221 13.9380 13.9380 14.1025 14.1025 k = 0.2283 0.1318 0.0932 ( 1949 PWs) bands (ev): -5.8585 -5.8585 2.9819 2.9819 3.0926 3.0926 3.1015 3.1015 3.8734 3.8734 3.8988 3.8988 4.4580 4.4580 6.0691 6.0691 6.6031 6.6031 10.0521 10.0521 13.2575 13.2575 13.8303 13.8303 13.9933 13.9933 k = 0.2391 0.1381 0.0976 ( 1949 PWs) bands (ev): -5.8365 -5.8365 2.9023 2.9023 3.0683 3.0683 3.0725 3.0725 3.8717 3.8717 3.9031 3.9031 4.4438 4.4438 6.1159 6.1159 6.6472 6.6472 10.1316 10.1316 13.2003 13.2003 13.7250 13.7250 13.8855 13.8855 k = 0.2500 0.1443 0.1021 ( 1949 PWs) bands (ev): -5.8141 -5.8141 2.8217 2.8217 3.0435 3.0435 3.0442 3.0442 3.8709 3.8709 3.9077 3.9077 4.4325 4.4325 6.1630 6.1630 6.6913 6.6913 10.2028 10.2028 13.1508 13.1508 13.6229 13.6229 13.7795 13.7795 k = 0.2609 0.1506 0.1065 ( 1949 PWs) bands (ev): -5.7915 -5.7915 2.7405 2.7405 3.0148 3.0148 3.0203 3.0203 3.8710 3.8710 3.9126 3.9126 4.4238 4.4238 6.2098 6.2098 6.7351 6.7351 10.2650 10.2650 13.1087 13.1087 13.5245 13.5245 13.6758 13.6758 k = 0.2717 0.1569 0.1109 ( 1955 PWs) bands (ev): -5.7688 -5.7688 2.6595 2.6595 2.9865 2.9865 2.9968 2.9968 3.8717 3.8717 3.9178 3.9178 4.4173 4.4173 6.2563 6.2563 6.7784 6.7784 10.3180 10.3180 13.0731 13.0731 13.4310 13.4310 13.5746 13.5746 k = 0.2826 0.1632 0.1154 ( 1961 PWs) bands (ev): -5.7460 -5.7460 2.5791 2.5791 2.9587 2.9587 2.9737 2.9737 3.8731 3.8731 3.9232 3.9232 4.4127 4.4127 6.3022 6.3022 6.8212 6.8212 10.3616 10.3616 13.0423 13.0423 13.3441 13.3441 13.4762 13.4762 k = 0.2935 0.1694 0.1198 ( 1964 PWs) bands (ev): -5.7233 -5.7233 2.4998 2.4998 2.9318 2.9318 2.9513 2.9513 3.8751 3.8751 3.9288 3.9288 4.4096 4.4096 6.3472 6.3472 6.8632 6.8632 10.3960 10.3960 13.0130 13.0130 13.2669 13.2669 13.3810 13.3810 k = 0.3043 0.1757 0.1242 ( 1949 PWs) bands (ev): -5.7007 -5.7007 2.4222 2.4222 2.9057 2.9057 2.9296 2.9296 3.8776 3.8776 3.9346 3.9346 4.4080 4.4080 6.3913 6.3913 6.9044 6.9044 10.4216 10.4216 12.9796 12.9796 13.2045 13.2045 13.2890 13.2890 k = 0.3152 0.1820 0.1287 ( 1946 PWs) bands (ev): -5.6784 -5.6784 2.3466 2.3466 2.8807 2.8807 2.9087 2.9087 3.8805 3.8805 3.9403 3.9403 4.4074 4.4074 6.4341 6.4341 6.9445 6.9445 10.4390 10.4390 12.9357 12.9357 13.1624 13.1624 13.2005 13.2005 k = 0.3261 0.1883 0.1331 ( 1940 PWs) bands (ev): -5.6565 -5.6565 2.2735 2.2735 2.8566 2.8566 2.8885 2.8885 3.8837 3.8837 3.9460 3.9460 4.4078 4.4078 6.4756 6.4756 6.9835 6.9835 10.4491 10.4491 12.8804 12.8804 13.1158 13.1158 13.1411 13.1411 k = 0.3370 0.1945 0.1376 ( 1940 PWs) bands (ev): -5.6352 -5.6352 2.2031 2.2031 2.8337 2.8337 2.8693 2.8693 3.8871 3.8871 3.9516 3.9516 4.4089 4.4089 6.5156 6.5156 7.0211 7.0211 10.4528 10.4528 12.8178 12.8178 13.0349 13.0349 13.1352 13.1352 k = 0.3478 0.2008 0.1420 ( 1940 PWs) bands (ev): -5.6145 -5.6145 2.1357 2.1357 2.8120 2.8120 2.8511 2.8511 3.8906 3.8906 3.9571 3.9571 4.4104 4.4104 6.5538 6.5538 7.0572 7.0572 10.4511 10.4511 12.7530 12.7530 12.9582 12.9582 13.1391 13.1391 k = 0.3587 0.2071 0.1464 ( 1952 PWs) bands (ev): -5.5945 -5.5945 2.0718 2.0718 2.7916 2.7916 2.8338 2.8338 3.8941 3.8941 3.9623 3.9623 4.4124 4.4124 6.5902 6.5902 7.0917 7.0917 10.4450 10.4450 12.6889 12.6889 12.8858 12.8858 13.1488 13.1488 k = 0.3696 0.2134 0.1509 ( 1952 PWs) bands (ev): -5.5755 -5.5755 2.0115 2.0115 2.7725 2.7725 2.8177 2.8177 3.8976 3.8976 3.9674 3.9674 4.4147 4.4147 6.6247 6.6247 7.1244 7.1244 10.4355 10.4355 12.6271 12.6271 12.8179 12.8179 13.1619 13.1619 k = 0.3804 0.2196 0.1553 ( 1949 PWs) bands (ev): -5.5574 -5.5574 1.9551 1.9551 2.7548 2.7548 2.8027 2.8027 3.9012 3.9012 3.9722 3.9722 4.4173 4.4173 6.6570 6.6570 7.1551 7.1551 10.4236 10.4236 12.5686 12.5686 12.7546 12.7546 13.1769 13.1769 k = 0.3913 0.2259 0.1597 ( 1949 PWs) bands (ev): -5.5405 -5.5405 1.9029 1.9029 2.7386 2.7386 2.7889 2.7889 3.9046 3.9046 3.9768 3.9768 4.4198 4.4198 6.6871 6.6871 7.1838 7.1838 10.4101 10.4101 12.5140 12.5140 12.6961 12.6961 13.1926 13.1926 k = 0.4022 0.2322 0.1642 ( 1937 PWs) bands (ev): -5.5248 -5.5248 1.8550 1.8550 2.7238 2.7238 2.7763 2.7763 3.9079 3.9079 3.9811 3.9811 4.4225 4.4225 6.7148 6.7148 7.2102 7.2102 10.3958 10.3958 12.4638 12.4638 12.6427 12.6427 13.2082 13.2082 k = 0.4130 0.2385 0.1686 ( 1937 PWs) bands (ev): -5.5104 -5.5104 1.8116 1.8116 2.7105 2.7105 2.7649 2.7649 3.9109 3.9109 3.9850 3.9850 4.4250 4.4250 6.7399 6.7399 7.2343 7.2343 10.3813 10.3813 12.4182 12.4182 12.5943 12.5943 13.2231 13.2231 k = 0.4239 0.2447 0.1731 ( 1937 PWs) bands (ev): -5.4975 -5.4975 1.7729 1.7729 2.6986 2.6986 2.7548 2.7548 3.9137 3.9137 3.9885 3.9885 4.4274 4.4274 6.7624 6.7624 7.2559 7.2559 10.3673 10.3673 12.3775 12.3775 12.5513 12.5513 13.2369 13.2369 k = 0.4348 0.2510 0.1775 ( 1943 PWs) bands (ev): -5.4861 -5.4861 1.7391 1.7391 2.6883 2.6883 2.7460 2.7460 3.9161 3.9161 3.9915 3.9915 4.4295 4.4295 6.7821 6.7821 7.2749 7.2749 10.3542 10.3542 12.3418 12.3418 12.5137 12.5137 13.2492 13.2492 k = 0.4457 0.2573 0.1819 ( 1943 PWs) bands (ev): -5.4763 -5.4763 1.7102 1.7102 2.6796 2.6796 2.7385 2.7385 3.9182 3.9182 3.9942 3.9942 4.4314 4.4314 6.7990 6.7990 7.2912 7.2912 10.3424 10.3424 12.3114 12.3114 12.4817 12.4817 13.2599 13.2599 k = 0.4565 0.2636 0.1864 ( 1937 PWs) bands (ev): -5.4682 -5.4682 1.6864 1.6864 2.6724 2.6724 2.7324 2.7324 3.9201 3.9201 3.9964 3.9964 4.4331 4.4331 6.8129 6.8129 7.3046 7.3046 10.3324 10.3324 12.2863 12.2863 12.4553 12.4553 13.2688 13.2688 k = 0.4674 0.2698 0.1908 ( 1931 PWs) bands (ev): -5.4618 -5.4618 1.6678 1.6678 2.6669 2.6669 2.7276 2.7276 3.9215 3.9215 3.9982 3.9982 4.4344 4.4344 6.8238 6.8238 7.3152 7.3152 10.3243 10.3243 12.2667 12.2667 12.4347 12.4347 13.2758 13.2758 k = 0.4783 0.2761 0.1952 ( 1937 PWs) bands (ev): -5.4572 -5.4572 1.6545 1.6545 2.6628 2.6628 2.7241 2.7241 3.9225 3.9225 3.9994 3.9994 4.4354 4.4354 6.8316 6.8316 7.3228 7.3228 10.3184 10.3184 12.2526 12.2526 12.4199 12.4199 13.2808 13.2808 k = 0.4891 0.2824 0.1997 ( 1946 PWs) bands (ev): -5.4544 -5.4544 1.6465 1.6465 2.6604 2.6604 2.7220 2.7220 3.9231 3.9231 4.0001 4.0001 4.4358 4.4358 6.8363 6.8363 7.3273 7.3273 10.3147 10.3147 12.2442 12.2442 12.4111 12.4111 13.2839 13.2839 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -5.4535 -5.4535 1.6438 1.6438 2.6596 2.6596 2.7214 2.7214 3.9233 3.9233 4.0004 4.0004 4.4360 4.4360 6.8379 6.8379 7.3289 7.3289 10.3135 10.3135 12.2414 12.2414 12.4081 12.4081 13.2849 13.2849 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -5.4535 -5.4535 1.6438 1.6438 2.6596 2.6596 2.7214 2.7214 3.9233 3.9233 4.0004 4.0004 4.4360 4.4360 6.8379 6.8379 7.3289 7.3289 10.3135 10.3135 12.2414 12.2414 12.4081 12.4081 13.2849 13.2849 k = 0.5039 0.2774 0.2105 ( 1946 PWs) bands (ev): -5.4533 -5.4533 1.6451 1.6451 2.6599 2.6599 2.7217 2.7217 3.9232 3.9232 4.0003 4.0003 4.4359 4.4359 6.8335 6.8335 7.3231 7.3231 10.3213 10.3213 12.2326 12.2326 12.3984 12.3984 13.3092 13.3092 k = 0.5078 0.2661 0.2169 ( 1946 PWs) bands (ev): -5.4528 -5.4528 1.6491 1.6491 2.6610 2.6610 2.7229 2.7229 3.9229 3.9229 4.0002 4.0002 4.4356 4.4356 6.8203 6.8203 7.3063 7.3063 10.3443 10.3443 12.1981 12.1981 12.3839 12.3839 13.3759 13.3759 k = 0.5117 0.2548 0.2233 ( 1948 PWs) bands (ev): -5.4519 -5.4519 1.6556 1.6556 2.6627 2.6627 2.7247 2.7247 3.9224 3.9224 4.0001 4.0001 4.4350 4.4350 6.7981 6.7981 7.2792 7.2792 10.3816 10.3816 12.1296 12.1296 12.3858 12.3858 13.4715 13.4715 k = 0.5156 0.2436 0.2296 ( 1948 PWs) bands (ev): -5.4506 -5.4506 1.6648 1.6648 2.6651 2.6651 2.7274 2.7274 3.9217 3.9217 3.9999 3.9999 4.4343 4.4343 6.7669 6.7669 7.2434 7.2434 10.4316 10.4316 12.0371 12.0371 12.4058 12.4058 13.5844 13.5844 k = 0.5195 0.2323 0.2360 ( 1954 PWs) bands (ev): -5.4490 -5.4490 1.6766 1.6766 2.6682 2.6682 2.7308 2.7308 3.9208 3.9208 3.9996 3.9996 4.4333 4.4333 6.7262 6.7262 7.2006 7.2006 10.4920 10.4920 11.9334 11.9334 12.4391 12.4391 13.7061 13.7061 k = 0.5234 0.2210 0.2424 ( 1959 PWs) bands (ev): -5.4471 -5.4471 1.6909 1.6909 2.6720 2.6720 2.7349 2.7349 3.9197 3.9197 3.9993 3.9993 4.4322 4.4322 6.6762 6.6762 7.1525 7.1525 10.5601 10.5601 11.8270 11.8270 12.4828 12.4828 13.8310 13.8310 k = 0.5273 0.2097 0.2488 ( 1961 PWs) bands (ev): -5.4448 -5.4448 1.7078 1.7078 2.6764 2.6764 2.7398 2.7398 3.9184 3.9184 3.9991 3.9991 4.4309 4.4309 6.6169 6.6169 7.1008 7.1008 10.6317 10.6317 11.7245 11.7245 12.5354 12.5354 13.9551 13.9551 k = 0.5312 0.1985 0.2552 ( 1958 PWs) bands (ev): -5.4422 -5.4422 1.7271 1.7271 2.6815 2.6815 2.7455 2.7455 3.9169 3.9169 3.9989 3.9989 4.4295 4.4295 6.5488 6.5488 7.0469 7.0469 10.7011 10.7011 11.6325 11.6325 12.5960 12.5960 14.0750 14.0750 k = 0.5352 0.1872 0.2615 ( 1958 PWs) bands (ev): -5.4394 -5.4394 1.7488 1.7488 2.6872 2.6872 2.7519 2.7519 3.9153 3.9153 3.9987 3.9987 4.4279 4.4279 6.4725 6.4725 6.9916 6.9916 10.7593 10.7593 11.5600 11.5600 12.6640 12.6640 14.1878 14.1878 k = 0.5391 0.1759 0.2679 ( 1960 PWs) bands (ev): -5.4362 -5.4362 1.7729 1.7729 2.6935 2.6935 2.7591 2.7591 3.9134 3.9134 3.9986 3.9986 4.4262 4.4262 6.3889 6.3889 6.9355 6.9355 10.7936 10.7936 11.5192 11.5192 12.7389 12.7389 14.2912 14.2912 k = 0.5430 0.1646 0.2743 ( 1966 PWs) bands (ev): -5.4329 -5.4329 1.7993 1.7993 2.7003 2.7003 2.7670 2.7670 3.9114 3.9114 3.9986 3.9986 4.4245 4.4245 6.2993 6.2993 6.8788 6.8788 10.7925 10.7925 11.5211 11.5211 12.8201 12.8201 14.3828 14.3828 k = 0.5469 0.1534 0.2807 ( 1964 PWs) bands (ev): -5.4293 -5.4293 1.8279 1.8279 2.7078 2.7078 2.7756 2.7756 3.9093 3.9093 3.9986 3.9986 4.4227 4.4227 6.2047 6.2047 6.8218 6.8218 10.7546 10.7546 11.5664 11.5664 12.9072 12.9072 14.4612 14.4612 k = 0.5508 0.1421 0.2870 ( 1958 PWs) bands (ev): -5.4255 -5.4255 1.8586 1.8586 2.7158 2.7158 2.7851 2.7851 3.9071 3.9071 3.9988 3.9988 4.4210 4.4210 6.1063 6.1063 6.7645 6.7645 10.6897 10.6897 11.6449 11.6449 12.9997 12.9997 14.5252 14.5252 k = 0.5547 0.1308 0.2934 ( 1960 PWs) bands (ev): -5.4215 -5.4215 1.8912 1.8912 2.7242 2.7242 2.7952 2.7952 3.9047 3.9047 3.9991 3.9991 4.4192 4.4192 6.0052 6.0052 6.7067 6.7067 10.6085 10.6085 11.7447 11.7447 13.0972 13.0972 14.5749 14.5749 k = 0.5586 0.1195 0.2998 ( 1961 PWs) bands (ev): -5.4174 -5.4174 1.9258 1.9258 2.7332 2.7332 2.8060 2.8060 3.9023 3.9023 3.9994 3.9994 4.4176 4.4176 5.9023 5.9023 6.6486 6.6486 10.5188 10.5188 11.8573 11.8573 13.1991 13.1991 14.6109 14.6109 k = 0.5625 0.1083 0.3062 ( 1966 PWs) bands (ev): -5.4133 -5.4133 1.9621 1.9621 2.7425 2.7425 2.8175 2.8175 3.8997 3.8997 3.9999 3.9999 4.4161 4.4161 5.7984 5.7984 6.5902 6.5902 10.4251 10.4251 11.9774 11.9774 13.3051 13.3051 14.6346 14.6346 k = 0.5664 0.0970 0.3126 ( 1956 PWs) bands (ev): -5.4090 -5.4090 2.0000 2.0000 2.7523 2.7523 2.8297 2.8297 3.8973 3.8973 4.0005 4.0005 4.4150 4.4150 5.6946 5.6946 6.5316 6.5316 10.3298 10.3298 12.1014 12.1014 13.4145 13.4145 14.6484 14.6484 k = 0.5703 0.0857 0.3189 ( 1956 PWs) bands (ev): -5.4047 -5.4047 2.0393 2.0393 2.7625 2.7625 2.8425 2.8425 3.8948 3.8948 4.0011 4.0011 4.4140 4.4140 5.5913 5.5913 6.4728 6.4728 10.2345 10.2345 12.2265 12.2265 13.5268 13.5268 14.6547 14.6547 k = 0.5742 0.0744 0.3253 ( 1958 PWs) bands (ev): -5.4005 -5.4005 2.0799 2.0799 2.7729 2.7729 2.8559 2.8559 3.8923 3.8923 4.0018 4.0018 4.4135 4.4135 5.4893 5.4893 6.4140 6.4140 10.1400 10.1400 12.3506 12.3506 13.6416 13.6416 14.6565 14.6565 k = 0.5781 0.0631 0.3317 ( 1952 PWs) bands (ev): -5.3963 -5.3963 2.1215 2.1215 2.7836 2.7836 2.8699 2.8699 3.8898 3.8898 4.0026 4.0026 4.4134 4.4134 5.3894 5.3894 6.3552 6.3552 10.0470 10.0470 12.4715 12.4715 13.7582 13.7582 14.6567 14.6567 k = 0.5820 0.0519 0.3381 ( 1950 PWs) bands (ev): -5.3922 -5.3922 2.1639 2.1639 2.7945 2.7945 2.8843 2.8843 3.8873 3.8873 4.0034 4.0034 4.4138 4.4138 5.2920 5.2920 6.2965 6.2965 9.9557 9.9557 12.5869 12.5869 13.8759 13.8759 14.6585 14.6585 k = 0.5859 0.0406 0.3445 ( 1950 PWs) bands (ev): -5.3882 -5.3882 2.2069 2.2069 2.8056 2.8056 2.8992 2.8992 3.8848 3.8848 4.0042 4.0042 4.4149 4.4149 5.1979 5.1979 6.2382 6.2382 9.8664 9.8664 12.6948 12.6948 13.9941 13.9941 14.6650 14.6650 k = 0.5898 0.0293 0.3508 ( 1950 PWs) bands (ev): -5.3844 -5.3844 2.2501 2.2501 2.8167 2.8167 2.9143 2.9143 3.8823 3.8823 4.0050 4.0050 4.4168 4.4168 5.1076 5.1076 6.1802 6.1802 9.7793 9.7793 12.7929 12.7929 14.1117 14.1117 14.6792 14.6792 k = 0.5938 0.0180 0.3572 ( 1952 PWs) bands (ev): -5.3809 -5.3809 2.2933 2.2933 2.8278 2.8278 2.9297 2.9297 3.8796 3.8796 4.0058 4.0058 4.4194 4.4194 5.0220 5.0220 6.1228 6.1228 9.6944 9.6944 12.8790 12.8790 14.2279 14.2279 14.7038 14.7038 k = 0.5977 0.0068 0.3636 ( 1943 PWs) bands (ev): -5.3776 -5.3776 2.3360 2.3360 2.8389 2.8389 2.9453 2.9453 3.8770 3.8770 4.0068 4.0068 4.4230 4.4230 4.9416 4.9416 6.0660 6.0660 9.6118 9.6118 12.9514 12.9514 14.3416 14.3416 14.7409 14.7409 k = 0.6016-0.0045 0.3700 ( 1936 PWs) bands (ev): -5.3747 -5.3747 2.3780 2.3780 2.8498 2.8498 2.9608 2.9608 3.8741 3.8741 4.0078 4.0078 4.4273 4.4273 4.8672 4.8672 6.0100 6.0100 9.5317 9.5317 13.0091 13.0091 14.4516 14.4516 14.7917 14.7917 k = 0.6055-0.0158 0.3764 ( 1944 PWs) bands (ev): -5.3721 -5.3721 2.4186 2.4186 2.8606 2.8606 2.9763 2.9763 3.8708 3.8708 4.0089 4.0089 4.4323 4.4323 4.7998 4.7998 5.9548 5.9548 9.4540 9.4540 13.0519 13.0519 14.5569 14.5569 14.8558 14.8558 k = 0.6094-0.0271 0.3827 ( 1938 PWs) bands (ev): -5.3700 -5.3700 2.4575 2.4575 2.8711 2.8711 2.9916 2.9916 3.8673 3.8673 4.0102 4.0102 4.4374 4.4374 4.7405 4.7405 5.9006 5.9006 9.3788 9.3788 13.0807 13.0807 14.6573 14.6573 14.9308 14.9308 k = 0.6133-0.0383 0.3891 ( 1936 PWs) bands (ev): -5.3683 -5.3683 2.4940 2.4940 2.8816 2.8816 3.0067 3.0067 3.8635 3.8635 4.0119 4.0119 4.4418 4.4418 4.6908 4.6908 5.8476 5.8476 9.3062 9.3062 13.0969 13.0969 14.7526 14.7526 15.0128 15.0128 k = 0.6172-0.0496 0.3955 ( 1938 PWs) bands (ev): -5.3671 -5.3671 2.5273 2.5273 2.8921 2.8921 3.0216 3.0216 3.8593 3.8593 4.0139 4.0139 4.4435 4.4435 4.6529 4.6529 5.7957 5.7957 9.2362 9.2362 13.1024 13.1024 14.8427 14.8427 15.0969 15.0969 k = 0.6211-0.0609 0.4019 ( 1936 PWs) bands (ev): -5.3665 -5.3665 2.5565 2.5565 2.9030 2.9030 3.0363 3.0363 3.8548 3.8548 4.0165 4.0165 4.4404 4.4404 4.6295 4.6295 5.7452 5.7452 9.1690 9.1690 13.0994 13.0994 14.9271 14.9271 15.1777 15.1777 k = 0.6250-0.0722 0.4082 ( 1938 PWs) bands (ev): -5.3665 -5.3665 2.5807 2.5807 2.9149 2.9149 3.0509 3.0509 3.8503 3.8503 4.0195 4.0195 4.4312 4.4312 4.6217 4.6217 5.6962 5.6962 9.1046 9.1046 13.0897 13.0897 15.0047 15.0047 15.2507 15.2507 k = 0.6250-0.0722 0.4082 ( 1938 PWs) bands (ev): -5.3665 -5.3665 2.5807 2.5807 2.9149 2.9149 3.0509 3.0509 3.8503 3.8503 4.0195 4.0195 4.4312 4.4312 4.6217 4.6217 5.6962 5.6962 9.1046 9.1046 13.0897 13.0897 15.0047 15.0047 15.2507 15.2507 k = 0.6184-0.0684 0.4190 ( 1938 PWs) bands (ev): -5.3664 -5.3664 2.5809 2.5809 2.9141 2.9141 3.0520 3.0520 3.8505 3.8505 4.0204 4.0204 4.4312 4.4312 4.6215 4.6215 5.6908 5.6908 9.1121 9.1121 13.0908 13.0908 14.9878 14.9878 15.2412 15.2412 k = 0.6118-0.0646 0.4297 ( 1934 PWs) bands (ev): -5.3662 -5.3662 2.5813 2.5813 2.9118 2.9118 3.0553 3.0553 3.8510 3.8510 4.0232 4.0232 4.4313 4.4313 4.6209 4.6209 5.6747 5.6747 9.1346 9.1346 13.0938 13.0938 14.9380 14.9380 15.2161 15.2161 k = 0.6053-0.0608 0.4405 ( 1938 PWs) bands (ev): -5.3657 -5.3657 2.5821 2.5821 2.9082 2.9082 3.0604 3.0604 3.8517 3.8517 4.0277 4.0277 4.4313 4.4313 4.6200 4.6200 5.6486 5.6486 9.1713 9.1713 13.0989 13.0989 14.8594 14.8594 15.1814 15.1814 k = 0.5987-0.0570 0.4512 ( 1938 PWs) bands (ev): -5.3650 -5.3650 2.5832 2.5832 2.9038 2.9038 3.0670 3.0670 3.8528 3.8528 4.0341 4.0341 4.4313 4.4313 4.6185 4.6185 5.6136 5.6136 9.2210 9.2210 13.1057 13.1057 14.7596 14.7596 15.1405 15.1405 k = 0.5921-0.0532 0.4620 ( 1938 PWs) bands (ev): -5.3642 -5.3642 2.5846 2.5846 2.8988 2.8988 3.0748 3.0748 3.8540 3.8540 4.0422 4.0422 4.4312 4.4312 4.6167 4.6167 5.5709 5.5709 9.2823 9.2823 13.1141 13.1141 14.6468 14.6468 15.0939 15.0939 k = 0.5855-0.0494 0.4727 ( 1935 PWs) bands (ev): -5.3632 -5.3632 2.5861 2.5861 2.8936 2.8936 3.0834 3.0834 3.8554 3.8554 4.0521 4.0521 4.4309 4.4309 4.6144 4.6144 5.5221 5.5221 9.3534 9.3534 13.1238 13.1238 14.5276 14.5276 15.0420 15.0420 k = 0.5789-0.0456 0.4835 ( 1935 PWs) bands (ev): -5.3620 -5.3620 2.5879 2.5879 2.8885 2.8885 3.0925 3.0925 3.8569 3.8569 4.0636 4.0636 4.4304 4.4304 4.6117 4.6117 5.4687 5.4687 9.4323 9.4323 13.1342 13.1342 14.4074 14.4074 14.9849 14.9849 k = 0.5724-0.0418 0.4942 ( 1943 PWs) bands (ev): -5.3608 -5.3608 2.5897 2.5897 2.8835 2.8835 3.1018 3.1018 3.8583 3.8583 4.0766 4.0766 4.4295 4.4295 4.6085 4.6085 5.4124 5.4124 9.5172 9.5172 13.1444 13.1444 14.2904 14.2904 14.9231 14.9231 k = 0.5658-0.0380 0.5049 ( 1943 PWs) bands (ev): -5.3595 -5.3595 2.5916 2.5916 2.8791 2.8791 3.1111 3.1111 3.8598 3.8598 4.0911 4.0911 4.4280 4.4280 4.6048 4.6048 5.3550 5.3550 9.6060 9.6060 13.1535 13.1535 14.1805 14.1805 14.8572 14.8572 k = 0.5592-0.0342 0.5157 ( 1941 PWs) bands (ev): -5.3581 -5.3581 2.5936 2.5936 2.8751 2.8751 3.1202 3.1202 3.8612 3.8612 4.1070 4.1070 4.4258 4.4258 4.6008 4.6008 5.2979 5.2979 9.6964 9.6964 13.1598 13.1598 14.0816 14.0816 14.7879 14.7879 k = 0.5526-0.0304 0.5264 ( 1937 PWs) bands (ev): -5.3567 -5.3567 2.5955 2.5955 2.8718 2.8718 3.1289 3.1289 3.8624 3.8624 4.1240 4.1240 4.4223 4.4223 4.5964 4.5964 5.2427 5.2427 9.7862 9.7862 13.1613 13.1613 13.9976 13.9976 14.7158 14.7158 k = 0.5461-0.0266 0.5372 ( 1935 PWs) bands (ev): -5.3553 -5.3553 2.5974 2.5974 2.8692 2.8692 3.1369 3.1369 3.8635 3.8635 4.1419 4.1419 4.4174 4.4174 4.5918 4.5918 5.1911 5.1911 9.8732 9.8732 13.1562 13.1562 13.9326 13.9326 14.6418 14.6418 k = 0.5395-0.0228 0.5479 ( 1935 PWs) bands (ev): -5.3540 -5.3540 2.5992 2.5992 2.8672 2.8672 3.1441 3.1441 3.8644 3.8644 4.1604 4.1604 4.4106 4.4106 4.5873 4.5873 5.1442 5.1442 9.9549 9.9549 13.1432 13.1432 13.8895 13.8895 14.5665 14.5665 k = 0.5329-0.0190 0.5587 ( 1937 PWs) bands (ev): -5.3527 -5.3527 2.6008 2.6008 2.8659 2.8659 3.1503 3.1503 3.8652 3.8652 4.1793 4.1793 4.4017 4.4017 4.5830 4.5830 5.1033 5.1033 10.0291 10.0291 13.1228 13.1228 13.8695 13.8695 14.4907 14.4907 k = 0.5263-0.0152 0.5694 ( 1935 PWs) bands (ev): -5.3516 -5.3516 2.6022 2.6022 2.8651 2.8651 3.1554 3.1554 3.8657 3.8657 4.1980 4.1980 4.3906 4.3906 4.5794 4.5794 5.0694 5.0694 10.0934 10.0934 13.0980 13.0980 13.8713 13.8713 14.4152 14.4152 k = 0.5197-0.0114 0.5801 ( 1935 PWs) bands (ev): -5.3507 -5.3507 2.6035 2.6035 2.8647 2.8647 3.1593 3.1593 3.8660 3.8660 4.2159 4.2159 4.3780 4.3780 4.5766 4.5766 5.0430 5.0430 10.1457 10.1457 13.0728 13.0728 13.8916 13.8916 14.3415 14.3415 k = 0.5132-0.0076 0.5909 ( 1943 PWs) bands (ev): -5.3499 -5.3499 2.6045 2.6045 2.8646 2.8646 3.1619 3.1619 3.8661 3.8661 4.2318 4.2318 4.3651 4.3651 4.5746 4.5746 5.0243 5.0243 10.1842 10.1842 13.0515 13.0515 13.9254 13.9254 14.2720 14.2720 k = 0.5066-0.0038 0.6016 ( 1952 PWs) bands (ev): -5.3495 -5.3495 2.6051 2.6051 2.8646 2.8646 3.1634 3.1634 3.8660 3.8660 4.2434 4.2434 4.3546 4.3546 4.5736 4.5736 5.0133 5.0133 10.2076 10.2076 13.0373 13.0373 13.9635 13.9635 14.2135 14.2135 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -5.3493 -5.3493 2.6054 2.6054 2.8646 2.8646 3.1638 3.1638 3.8659 3.8659 4.2479 4.2479 4.3504 4.3504 4.5732 4.5732 5.0098 5.0098 10.2154 10.2154 13.0323 13.0323 13.9840 13.9840 14.1866 14.1866 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -5.3493 -5.3493 2.6054 2.6054 2.8646 2.8646 3.1638 3.1638 3.8659 3.8659 4.2479 4.2479 4.3504 4.3504 4.5732 4.5732 5.0098 5.0098 10.2154 10.2154 13.0323 13.0323 13.9840 13.9840 14.1866 14.1866 k = 0.5000 0.0078 0.6013 ( 1948 PWs) bands (ev): -5.3495 -5.3495 2.6031 2.6031 2.8645 2.8645 3.1617 3.1617 3.8662 3.8662 4.2393 4.2393 4.3589 4.3589 4.5742 4.5742 5.0175 5.0175 10.2165 10.2165 13.0228 13.0228 13.9889 13.9889 14.1914 14.1914 k = 0.5000 0.0156 0.5903 ( 1946 PWs) bands (ev): -5.3501 -5.3501 2.5963 2.5963 2.8638 2.8638 3.1554 3.1554 3.8668 3.8668 4.2194 4.2194 4.3776 4.3776 4.5781 4.5781 5.0400 5.0400 10.2196 10.2196 12.9955 12.9955 14.0025 14.0025 14.2057 14.2057 k = 0.5000 0.0234 0.5793 ( 1944 PWs) bands (ev): -5.3510 -5.3510 2.5850 2.5850 2.8626 2.8626 3.1452 3.1452 3.8677 3.8677 4.1958 4.1958 4.3971 4.3971 4.5882 4.5882 5.0757 5.0757 10.2248 10.2248 12.9527 12.9527 14.0224 14.0224 14.2291 14.2291 k = 0.5000 0.0312 0.5682 ( 1944 PWs) bands (ev): -5.3524 -5.3524 2.5695 2.5695 2.8608 2.8608 3.1317 3.1317 3.8689 3.8689 4.1718 4.1718 4.4118 4.4118 4.6079 4.6079 5.1226 5.1226 10.2322 10.2322 12.8975 12.8975 14.0460 14.0460 14.2603 14.2603 k = 0.5000 0.0390 0.5572 ( 1944 PWs) bands (ev): -5.3541 -5.3541 2.5499 2.5499 2.8584 2.8584 3.1152 3.1152 3.8702 3.8702 4.1488 4.1488 4.4200 4.4200 4.6389 4.6389 5.1788 5.1788 10.2418 10.2418 12.8329 12.8329 14.0716 14.0716 14.2967 14.2967 k = 0.5000 0.0468 0.5462 ( 1944 PWs) bands (ev): -5.3561 -5.3561 2.5264 2.5264 2.8553 2.8553 3.0966 3.0966 3.8718 3.8718 4.1275 4.1275 4.4228 4.4228 4.6802 4.6802 5.2427 5.2427 10.2538 10.2538 12.7614 12.7614 14.0984 14.0984 14.3353 14.3353 k = 0.5000 0.0546 0.5351 ( 1944 PWs) bands (ev): -5.3585 -5.3585 2.4995 2.4995 2.8514 2.8514 3.0764 3.0764 3.8734 3.8734 4.1080 4.1080 4.4224 4.4224 4.7298 4.7298 5.3128 5.3128 10.2682 10.2682 12.6849 12.6849 14.1260 14.1260 14.3727 14.3727 k = 0.5000 0.0624 0.5241 ( 1948 PWs) bands (ev): -5.3612 -5.3612 2.4693 2.4693 2.8468 2.8468 3.0551 3.0551 3.8750 3.8750 4.0906 4.0906 4.4203 4.4203 4.7860 4.7860 5.3879 5.3879 10.2852 10.2852 12.6048 12.6048 14.1540 14.1540 14.4055 14.4055 k = 0.5000 0.0702 0.5131 ( 1944 PWs) bands (ev): -5.3642 -5.3642 2.4363 2.4363 2.8415 2.8415 3.0333 3.0333 3.8768 3.8768 4.0753 4.0753 4.4179 4.4179 4.8477 4.8477 5.4672 5.4672 10.3050 10.3050 12.5223 12.5223 14.1814 14.1814 14.4310 14.4310 k = 0.5000 0.0780 0.5020 ( 1948 PWs) bands (ev): -5.3674 -5.3674 2.4008 2.4008 2.8354 2.8354 3.0114 3.0114 3.8785 3.8785 4.0619 4.0619 4.4154 4.4154 4.9140 4.9140 5.5496 5.5496 10.3276 10.3276 12.4380 12.4380 14.2065 14.2065 14.4475 14.4475 k = 0.5000 0.0858 0.4910 ( 1948 PWs) bands (ev): -5.3709 -5.3709 2.3633 2.3633 2.8287 2.8287 2.9898 2.9898 3.8802 3.8802 4.0504 4.0504 4.4133 4.4133 4.9845 4.9845 5.6345 5.6345 10.3535 10.3535 12.3526 12.3526 14.2258 14.2258 14.4556 14.4556 k = 0.5000 0.0936 0.4800 ( 1944 PWs) bands (ev): -5.3747 -5.3747 2.3242 2.3242 2.8214 2.8214 2.9688 2.9688 3.8820 3.8820 4.0406 4.0406 4.4116 4.4116 5.0588 5.0588 5.7212 5.7212 10.3826 10.3826 12.2665 12.2665 14.2329 14.2329 14.4591 14.4591 k = 0.5000 0.1014 0.4689 ( 1950 PWs) bands (ev): -5.3786 -5.3786 2.2838 2.2838 2.8135 2.8135 2.9484 2.9484 3.8838 3.8838 4.0322 4.0322 4.4105 4.4105 5.1367 5.1367 5.8090 5.8090 10.4153 10.4153 12.1799 12.1799 14.2189 14.2189 14.4653 14.4653 k = 0.5000 0.1092 0.4579 ( 1950 PWs) bands (ev): -5.3827 -5.3827 2.2426 2.2426 2.8051 2.8051 2.9289 2.9289 3.8856 3.8856 4.0253 4.0253 4.4098 4.4098 5.2177 5.2177 5.8975 5.8975 10.4517 10.4517 12.0931 12.0931 14.1783 14.1783 14.4795 14.4795 k = 0.5000 0.1170 0.4469 ( 1950 PWs) bands (ev): -5.3869 -5.3869 2.2010 2.2010 2.7964 2.7964 2.9103 2.9103 3.8875 3.8875 4.0196 4.0196 4.4096 4.4096 5.3017 5.3017 5.9861 5.9861 10.4921 10.4921 12.0061 12.0061 14.1122 14.1122 14.5010 14.5010 k = 0.5000 0.1248 0.4358 ( 1954 PWs) bands (ev): -5.3912 -5.3912 2.1593 2.1593 2.7874 2.7874 2.8926 2.8926 3.8895 3.8895 4.0148 4.0148 4.4098 4.4098 5.3883 5.3883 6.0743 6.0743 10.5366 10.5366 11.9189 11.9189 14.0257 14.0257 14.5260 14.5260 k = 0.5000 0.1326 0.4248 ( 1958 PWs) bands (ev): -5.3956 -5.3956 2.1179 2.1179 2.7781 2.7781 2.8760 2.8760 3.8915 3.8915 4.0110 4.0110 4.4104 4.4104 5.4773 5.4773 6.1616 6.1616 10.5856 10.5856 11.8317 11.8317 13.9238 13.9238 14.5509 14.5509 k = 0.5000 0.1404 0.4138 ( 1954 PWs) bands (ev): -5.4000 -5.4000 2.0771 2.0771 2.7688 2.7688 2.8603 2.8603 3.8937 3.8937 4.0079 4.0079 4.4113 4.4113 5.5684 5.5684 6.2477 6.2477 10.6390 10.6390 11.7443 11.7443 13.8109 13.8109 14.5728 14.5728 k = 0.5000 0.1482 0.4027 ( 1954 PWs) bands (ev): -5.4044 -5.4044 2.0371 2.0371 2.7595 2.7595 2.8455 2.8455 3.8959 3.8959 4.0054 4.0054 4.4125 4.4125 5.6611 5.6611 6.3321 6.3321 10.6971 10.6971 11.6568 11.6568 13.6909 13.6909 14.5891 14.5891 k = 0.5000 0.1560 0.3917 ( 1960 PWs) bands (ev): -5.4088 -5.4088 1.9983 1.9983 2.7502 2.7502 2.8317 2.8317 3.8981 3.8981 4.0034 4.0034 4.4139 4.4139 5.7551 5.7551 6.4145 6.4145 10.7597 10.7597 11.5692 11.5692 13.5669 13.5669 14.5974 14.5974 k = 0.5000 0.1638 0.3807 ( 1958 PWs) bands (ev): -5.4131 -5.4131 1.9607 1.9607 2.7410 2.7410 2.8188 2.8188 3.9004 3.9004 4.0019 4.0019 4.4154 4.4154 5.8499 5.8499 6.4948 6.4948 10.8266 10.8266 11.4820 11.4820 13.4417 13.4417 14.5955 14.5955 k = 0.5000 0.1716 0.3696 ( 1958 PWs) bands (ev): -5.4174 -5.4174 1.9247 1.9247 2.7321 2.7321 2.8068 2.8068 3.9028 3.9028 4.0008 4.0008 4.4171 4.4171 5.9451 5.9451 6.5725 6.5725 10.8968 10.8968 11.3960 11.3960 13.3176 13.3176 14.5812 14.5812 k = 0.5000 0.1794 0.3586 ( 1958 PWs) bands (ev): -5.4215 -5.4215 1.8904 1.8904 2.7235 2.7235 2.7956 2.7956 3.9051 3.9051 3.9999 3.9999 4.4189 4.4189 6.0398 6.0398 6.6476 6.6476 10.9672 10.9672 11.3144 11.3144 13.1966 13.1966 14.5528 14.5528 k = 0.5000 0.1872 0.3476 ( 1958 PWs) bands (ev): -5.4255 -5.4255 1.8578 1.8578 2.7153 2.7153 2.7853 2.7853 3.9073 3.9073 3.9994 3.9994 4.4208 4.4208 6.1336 6.1336 6.7200 6.7200 11.0258 11.0258 11.2493 11.2493 13.0805 13.0805 14.5089 14.5089 k = 0.5000 0.1951 0.3365 ( 1954 PWs) bands (ev): -5.4293 -5.4293 1.8273 1.8273 2.7075 2.7075 2.7758 2.7758 3.9095 3.9095 3.9990 3.9990 4.4226 4.4226 6.2254 6.2254 6.7897 6.7897 11.0318 11.0318 11.2416 11.2416 12.9705 12.9705 14.4493 14.4493 k = 0.5000 0.2029 0.3255 ( 1954 PWs) bands (ev): -5.4329 -5.4329 1.7988 1.7988 2.7002 2.7002 2.7671 2.7671 3.9116 3.9116 3.9988 3.9988 4.4245 4.4245 6.3143 6.3143 6.8567 6.8567 10.9735 10.9735 11.3033 11.3033 12.8679 12.8679 14.3743 14.3743 k = 0.5000 0.2107 0.3145 ( 1954 PWs) bands (ev): -5.4363 -5.4363 1.7726 1.7726 2.6933 2.6933 2.7591 2.7591 3.9135 3.9135 3.9988 3.9988 4.4262 4.4262 6.3993 6.3993 6.9210 6.9210 10.8932 10.8932 11.3924 11.3924 12.7734 12.7734 14.2851 14.2851 k = 0.5000 0.2185 0.3034 ( 1954 PWs) bands (ev): -5.4394 -5.4394 1.7485 1.7485 2.6871 2.6871 2.7519 2.7519 3.9153 3.9153 3.9988 3.9988 4.4279 4.4279 6.4792 6.4792 6.9829 6.9829 10.8078 10.8078 11.4923 11.4923 12.6877 12.6877 14.1835 14.1835 k = 0.5000 0.2263 0.2924 ( 1954 PWs) bands (ev): -5.4422 -5.4422 1.7269 1.7269 2.6814 2.6814 2.7455 2.7455 3.9170 3.9170 3.9990 3.9990 4.4295 4.4295 6.5529 6.5529 7.0422 7.0422 10.7226 10.7226 11.5984 11.5984 12.6114 12.6114 14.0719 14.0719 k = 0.5000 0.2341 0.2814 ( 1950 PWs) bands (ev): -5.4448 -5.4448 1.7076 1.7076 2.6764 2.6764 2.7398 2.7398 3.9185 3.9185 3.9992 3.9992 4.4310 4.4310 6.6192 6.6192 7.0987 7.0987 10.6403 10.6403 11.7083 11.7083 12.5446 12.5446 13.9529 13.9529 k = 0.5000 0.2419 0.2703 ( 1954 PWs) bands (ev): -5.4471 -5.4471 1.6908 1.6908 2.6720 2.6720 2.7349 2.7349 3.9197 3.9197 3.9994 3.9994 4.4322 4.4322 6.6774 6.6774 7.1517 7.1517 10.5630 10.5630 11.8199 11.8199 12.4878 12.4878 13.8295 13.8295 k = 0.5000 0.2497 0.2593 ( 1954 PWs) bands (ev): -5.4490 -5.4490 1.6765 1.6765 2.6682 2.6682 2.7308 2.7308 3.9208 3.9208 3.9996 3.9996 4.4333 4.4333 6.7268 6.7268 7.2004 7.2004 10.4927 10.4927 11.9307 11.9307 12.4415 12.4415 13.7050 13.7050 k = 0.5000 0.2575 0.2483 ( 1956 PWs) bands (ev): -5.4506 -5.4506 1.6648 1.6648 2.6651 2.6651 2.7273 2.7273 3.9217 3.9217 3.9999 3.9999 4.4342 4.4342 6.7671 6.7671 7.2435 7.2435 10.4316 10.4316 12.0364 12.0364 12.4067 12.4067 13.5836 13.5836 k = 0.5000 0.2653 0.2372 ( 1950 PWs) bands (ev): -5.4519 -5.4519 1.6556 1.6556 2.6627 2.6627 2.7247 2.7247 3.9224 3.9224 4.0001 4.0001 4.4350 4.4350 6.7983 6.7983 7.2793 7.2793 10.3815 10.3815 12.1297 12.1297 12.3860 12.3860 13.4711 13.4711 k = 0.5000 0.2731 0.2262 ( 1944 PWs) bands (ev): -5.4528 -5.4528 1.6490 1.6490 2.6610 2.6610 2.7229 2.7229 3.9229 3.9229 4.0003 4.0003 4.4356 4.4356 6.8204 6.8204 7.3063 7.3063 10.3443 10.3443 12.1982 12.1982 12.3840 12.3840 13.3757 13.3757 k = 0.5000 0.2809 0.2152 ( 1946 PWs) bands (ev): -5.4533 -5.4533 1.6451 1.6451 2.6599 2.6599 2.7217 2.7217 3.9232 3.9232 4.0003 4.0003 4.4359 4.4359 6.8335 6.8335 7.3231 7.3231 10.3213 10.3213 12.2326 12.2326 12.3984 12.3984 13.3092 13.3092 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -5.4535 -5.4535 1.6438 1.6438 2.6596 2.6596 2.7214 2.7214 3.9233 3.9233 4.0004 4.0004 4.4360 4.4360 6.8379 6.8379 7.3289 7.3289 10.3135 10.3135 12.2414 12.2414 12.4081 12.4081 13.2849 13.2849 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -5.4535 -5.4535 1.6438 1.6438 2.6596 2.6596 2.7214 2.7214 3.9233 3.9233 4.0004 4.0004 4.4360 4.4360 6.8379 6.8379 7.3289 7.3289 10.3135 10.3135 12.2414 12.2414 12.4081 12.4081 13.2849 13.2849 k = 0.4961 0.2864 0.2169 ( 1946 PWs) bands (ev): -5.4533 -5.4533 1.6451 1.6451 2.6599 2.6599 2.7217 2.7217 3.9232 3.9232 4.0003 4.0003 4.4359 4.4359 6.8335 6.8335 7.3231 7.3231 10.3213 10.3213 12.2326 12.2326 12.3984 12.3984 13.3092 13.3092 k = 0.4922 0.2842 0.2296 ( 1946 PWs) bands (ev): -5.4528 -5.4528 1.6491 1.6491 2.6610 2.6610 2.7229 2.7229 3.9229 3.9229 4.0002 4.0002 4.4356 4.4356 6.8203 6.8203 7.3063 7.3063 10.3443 10.3443 12.1981 12.1981 12.3839 12.3839 13.3759 13.3759 k = 0.4883 0.2819 0.2424 ( 1948 PWs) bands (ev): -5.4519 -5.4519 1.6556 1.6556 2.6627 2.6627 2.7247 2.7247 3.9224 3.9224 4.0001 4.0001 4.4350 4.4350 6.7981 6.7981 7.2792 7.2792 10.3816 10.3816 12.1296 12.1296 12.3858 12.3858 13.4715 13.4715 k = 0.4844 0.2797 0.2552 ( 1948 PWs) bands (ev): -5.4506 -5.4506 1.6648 1.6648 2.6651 2.6651 2.7274 2.7274 3.9217 3.9217 3.9999 3.9999 4.4343 4.4343 6.7669 6.7669 7.2434 7.2434 10.4316 10.4316 12.0371 12.0371 12.4058 12.4058 13.5844 13.5844 k = 0.4805 0.2774 0.2679 ( 1954 PWs) bands (ev): -5.4490 -5.4490 1.6766 1.6766 2.6682 2.6682 2.7308 2.7308 3.9208 3.9208 3.9996 3.9996 4.4333 4.4333 6.7262 6.7262 7.2006 7.2006 10.4920 10.4920 11.9334 11.9334 12.4391 12.4391 13.7061 13.7061 k = 0.4766 0.2751 0.2807 ( 1959 PWs) bands (ev): -5.4471 -5.4471 1.6909 1.6909 2.6720 2.6720 2.7349 2.7349 3.9197 3.9197 3.9993 3.9993 4.4322 4.4322 6.6762 6.6762 7.1525 7.1525 10.5601 10.5601 11.8270 11.8270 12.4828 12.4828 13.8310 13.8310 k = 0.4727 0.2729 0.2934 ( 1961 PWs) bands (ev): -5.4448 -5.4448 1.7078 1.7078 2.6764 2.6764 2.7398 2.7398 3.9184 3.9184 3.9991 3.9991 4.4309 4.4309 6.6169 6.6169 7.1008 7.1008 10.6317 10.6317 11.7245 11.7245 12.5354 12.5354 13.9551 13.9551 k = 0.4688 0.2706 0.3062 ( 1958 PWs) bands (ev): -5.4422 -5.4422 1.7271 1.7271 2.6815 2.6815 2.7455 2.7455 3.9169 3.9169 3.9989 3.9989 4.4295 4.4295 6.5488 6.5488 7.0469 7.0469 10.7011 10.7011 11.6325 11.6325 12.5960 12.5960 14.0750 14.0750 k = 0.4648 0.2684 0.3189 ( 1958 PWs) bands (ev): -5.4394 -5.4394 1.7488 1.7488 2.6872 2.6872 2.7519 2.7519 3.9153 3.9153 3.9987 3.9987 4.4279 4.4279 6.4725 6.4725 6.9916 6.9916 10.7593 10.7593 11.5600 11.5600 12.6640 12.6640 14.1878 14.1878 k = 0.4609 0.2661 0.3317 ( 1960 PWs) bands (ev): -5.4362 -5.4362 1.7729 1.7729 2.6935 2.6935 2.7591 2.7591 3.9134 3.9134 3.9986 3.9986 4.4262 4.4262 6.3889 6.3889 6.9355 6.9355 10.7936 10.7936 11.5192 11.5192 12.7389 12.7389 14.2912 14.2912 k = 0.4570 0.2639 0.3445 ( 1966 PWs) bands (ev): -5.4329 -5.4329 1.7993 1.7993 2.7003 2.7003 2.7670 2.7670 3.9114 3.9114 3.9986 3.9986 4.4245 4.4245 6.2993 6.2993 6.8788 6.8788 10.7925 10.7925 11.5211 11.5211 12.8201 12.8201 14.3828 14.3828 k = 0.4531 0.2616 0.3572 ( 1964 PWs) bands (ev): -5.4293 -5.4293 1.8279 1.8279 2.7078 2.7078 2.7756 2.7756 3.9093 3.9093 3.9986 3.9986 4.4227 4.4227 6.2047 6.2047 6.8218 6.8218 10.7546 10.7546 11.5664 11.5664 12.9072 12.9072 14.4612 14.4612 k = 0.4492 0.2594 0.3700 ( 1958 PWs) bands (ev): -5.4255 -5.4255 1.8586 1.8586 2.7158 2.7158 2.7851 2.7851 3.9071 3.9071 3.9988 3.9988 4.4210 4.4210 6.1063 6.1063 6.7645 6.7645 10.6897 10.6897 11.6449 11.6449 12.9997 12.9997 14.5252 14.5252 k = 0.4453 0.2571 0.3827 ( 1960 PWs) bands (ev): -5.4215 -5.4215 1.8912 1.8912 2.7242 2.7242 2.7952 2.7952 3.9047 3.9047 3.9991 3.9991 4.4192 4.4192 6.0052 6.0052 6.7067 6.7067 10.6085 10.6085 11.7447 11.7447 13.0972 13.0972 14.5749 14.5749 k = 0.4414 0.2548 0.3955 ( 1961 PWs) bands (ev): -5.4174 -5.4174 1.9258 1.9258 2.7332 2.7332 2.8060 2.8060 3.9023 3.9023 3.9994 3.9994 4.4176 4.4176 5.9023 5.9023 6.6486 6.6486 10.5188 10.5188 11.8573 11.8573 13.1991 13.1991 14.6109 14.6109 k = 0.4375 0.2526 0.4082 ( 1966 PWs) bands (ev): -5.4133 -5.4133 1.9621 1.9621 2.7425 2.7425 2.8175 2.8175 3.8997 3.8997 3.9999 3.9999 4.4161 4.4161 5.7984 5.7984 6.5902 6.5902 10.4251 10.4251 11.9774 11.9774 13.3051 13.3051 14.6346 14.6346 k = 0.4336 0.2503 0.4210 ( 1956 PWs) bands (ev): -5.4090 -5.4090 2.0000 2.0000 2.7523 2.7523 2.8297 2.8297 3.8973 3.8973 4.0005 4.0005 4.4150 4.4150 5.6946 5.6946 6.5316 6.5316 10.3298 10.3298 12.1014 12.1014 13.4145 13.4145 14.6484 14.6484 k = 0.4297 0.2481 0.4338 ( 1956 PWs) bands (ev): -5.4047 -5.4047 2.0393 2.0393 2.7625 2.7625 2.8425 2.8425 3.8948 3.8948 4.0011 4.0011 4.4140 4.4140 5.5913 5.5913 6.4728 6.4728 10.2345 10.2345 12.2265 12.2265 13.5268 13.5268 14.6547 14.6547 k = 0.4258 0.2458 0.4465 ( 1958 PWs) bands (ev): -5.4005 -5.4005 2.0799 2.0799 2.7729 2.7729 2.8559 2.8559 3.8923 3.8923 4.0018 4.0018 4.4135 4.4135 5.4893 5.4893 6.4140 6.4140 10.1400 10.1400 12.3506 12.3506 13.6416 13.6416 14.6565 14.6565 k = 0.4219 0.2436 0.4593 ( 1952 PWs) bands (ev): -5.3963 -5.3963 2.1215 2.1215 2.7836 2.7836 2.8699 2.8699 3.8898 3.8898 4.0026 4.0026 4.4134 4.4134 5.3894 5.3894 6.3552 6.3552 10.0470 10.0470 12.4715 12.4715 13.7582 13.7582 14.6567 14.6567 k = 0.4180 0.2413 0.4720 ( 1950 PWs) bands (ev): -5.3922 -5.3922 2.1639 2.1639 2.7945 2.7945 2.8843 2.8843 3.8873 3.8873 4.0034 4.0034 4.4138 4.4138 5.2920 5.2920 6.2965 6.2965 9.9557 9.9557 12.5869 12.5869 13.8759 13.8759 14.6585 14.6585 k = 0.4141 0.2391 0.4848 ( 1950 PWs) bands (ev): -5.3882 -5.3882 2.2069 2.2069 2.8056 2.8056 2.8992 2.8992 3.8848 3.8848 4.0042 4.0042 4.4149 4.4149 5.1979 5.1979 6.2382 6.2382 9.8664 9.8664 12.6948 12.6948 13.9941 13.9941 14.6650 14.6650 k = 0.4102 0.2368 0.4976 ( 1950 PWs) bands (ev): -5.3844 -5.3844 2.2501 2.2501 2.8167 2.8167 2.9143 2.9143 3.8823 3.8823 4.0050 4.0050 4.4168 4.4168 5.1076 5.1076 6.1802 6.1802 9.7793 9.7793 12.7929 12.7929 14.1117 14.1117 14.6792 14.6792 k = 0.4062 0.2345 0.5103 ( 1952 PWs) bands (ev): -5.3809 -5.3809 2.2933 2.2933 2.8278 2.8278 2.9297 2.9297 3.8796 3.8796 4.0058 4.0058 4.4194 4.4194 5.0220 5.0220 6.1228 6.1228 9.6944 9.6944 12.8790 12.8790 14.2279 14.2279 14.7038 14.7038 k = 0.4023 0.2323 0.5231 ( 1943 PWs) bands (ev): -5.3776 -5.3776 2.3360 2.3360 2.8389 2.8389 2.9453 2.9453 3.8770 3.8770 4.0068 4.0068 4.4230 4.4230 4.9416 4.9416 6.0660 6.0660 9.6118 9.6118 12.9514 12.9514 14.3416 14.3416 14.7409 14.7409 k = 0.3984 0.2300 0.5358 ( 1936 PWs) bands (ev): -5.3747 -5.3747 2.3780 2.3780 2.8498 2.8498 2.9608 2.9608 3.8741 3.8741 4.0078 4.0078 4.4273 4.4273 4.8672 4.8672 6.0100 6.0100 9.5317 9.5317 13.0091 13.0091 14.4516 14.4516 14.7917 14.7917 k = 0.3945 0.2278 0.5486 ( 1944 PWs) bands (ev): -5.3721 -5.3721 2.4186 2.4186 2.8606 2.8606 2.9763 2.9763 3.8708 3.8708 4.0089 4.0089 4.4323 4.4323 4.7998 4.7998 5.9548 5.9548 9.4540 9.4540 13.0519 13.0519 14.5569 14.5569 14.8558 14.8558 k = 0.3906 0.2255 0.5613 ( 1938 PWs) bands (ev): -5.3700 -5.3700 2.4575 2.4575 2.8711 2.8711 2.9916 2.9916 3.8673 3.8673 4.0102 4.0102 4.4374 4.4374 4.7405 4.7405 5.9006 5.9006 9.3788 9.3788 13.0807 13.0807 14.6573 14.6573 14.9308 14.9308 k = 0.3867 0.2233 0.5741 ( 1936 PWs) bands (ev): -5.3683 -5.3683 2.4940 2.4940 2.8816 2.8816 3.0067 3.0067 3.8635 3.8635 4.0119 4.0119 4.4418 4.4418 4.6908 4.6908 5.8476 5.8476 9.3062 9.3062 13.0969 13.0969 14.7526 14.7526 15.0128 15.0128 k = 0.3828 0.2210 0.5869 ( 1938 PWs) bands (ev): -5.3671 -5.3671 2.5273 2.5273 2.8921 2.8921 3.0216 3.0216 3.8593 3.8593 4.0139 4.0139 4.4435 4.4435 4.6529 4.6529 5.7957 5.7957 9.2362 9.2362 13.1024 13.1024 14.8427 14.8427 15.0969 15.0969 k = 0.3789 0.2188 0.5996 ( 1936 PWs) bands (ev): -5.3665 -5.3665 2.5565 2.5565 2.9030 2.9030 3.0363 3.0363 3.8548 3.8548 4.0165 4.0165 4.4404 4.4404 4.6295 4.6295 5.7452 5.7452 9.1690 9.1690 13.0994 13.0994 14.9271 14.9271 15.1777 15.1777 k = 0.3750 0.2165 0.6124 ( 1938 PWs) bands (ev): -5.3665 -5.3665 2.5807 2.5807 2.9149 2.9149 3.0509 3.0509 3.8503 3.8503 4.0195 4.0195 4.4312 4.4312 4.6217 4.6217 5.6962 5.6962 9.1046 9.1046 13.0897 13.0897 15.0047 15.0047 15.2507 15.2507 k = 0.6250-0.0722 0.4082 ( 1938 PWs) bands (ev): -5.3665 -5.3665 2.5807 2.5807 2.9149 2.9149 3.0509 3.0509 3.8503 3.8503 4.0195 4.0195 4.4312 4.4312 4.6217 4.6217 5.6962 5.6962 9.1046 9.1046 13.0897 13.0897 15.0047 15.0047 15.2507 15.2507 k = 0.6184-0.0836 0.4082 ( 1938 PWs) bands (ev): -5.3673 -5.3673 2.6135 2.6135 2.9395 2.9395 3.0770 3.0770 3.8428 3.8428 4.0256 4.0256 4.4118 4.4118 4.6210 4.6210 5.6152 5.6152 8.9983 8.9983 13.0655 13.0655 15.1274 15.1274 15.3670 15.3670 k = 0.6118-0.0950 0.4082 ( 1938 PWs) bands (ev): -5.3685 -5.3685 2.6391 2.6391 2.9713 2.9713 3.1060 3.1060 3.8357 3.8357 4.0327 4.0327 4.3936 4.3936 4.6199 4.6199 5.5348 5.5348 8.8917 8.8917 13.0354 13.0354 15.2468 15.2468 15.4876 15.4876 k = 0.6053-0.1064 0.4082 ( 1934 PWs) bands (ev): -5.3701 -5.3701 2.6575 2.6575 3.0097 3.0097 3.1379 3.1379 3.8292 3.8292 4.0411 4.0411 4.3765 4.3765 4.6181 4.6181 5.4553 5.4553 8.7850 8.7850 13.0007 13.0007 15.3626 15.3626 15.6123 15.6123 k = 0.5987-0.1177 0.4082 ( 1938 PWs) bands (ev): -5.3720 -5.3720 2.6697 2.6697 3.0526 3.0526 3.1732 3.1732 3.8232 3.8232 4.0509 4.0509 4.3606 4.3606 4.6156 4.6156 5.3770 5.3770 8.6786 8.6786 12.9627 12.9627 15.4745 15.4745 15.7402 15.7402 k = 0.5921-0.1291 0.4082 ( 1942 PWs) bands (ev): -5.3741 -5.3741 2.6771 2.6771 3.0969 3.0969 3.2127 3.2127 3.8181 3.8181 4.0623 4.0623 4.3460 4.3460 4.6121 4.6121 5.3003 5.3003 8.5730 8.5730 12.9229 12.9229 15.5826 15.5826 15.8700 15.8700 k = 0.5855-0.1405 0.4082 ( 1942 PWs) bands (ev): -5.3763 -5.3763 2.6811 2.6811 3.1393 3.1393 3.2573 3.2573 3.8138 3.8138 4.0757 4.0757 4.3325 4.3325 4.6073 4.6073 5.2257 5.2257 8.4686 8.4686 12.8822 12.8822 15.6870 15.6870 16.0004 16.0004 k = 0.5789-0.1519 0.4082 ( 1948 PWs) bands (ev): -5.3787 -5.3787 2.6827 2.6827 3.1778 3.1778 3.3073 3.3073 3.8104 3.8104 4.0911 4.0911 4.3201 4.3201 4.6008 4.6008 5.1538 5.1538 8.3661 8.3661 12.8417 12.8417 15.7876 15.7876 16.1299 16.1299 k = 0.5724-0.1633 0.4082 ( 1948 PWs) bands (ev): -5.3811 -5.3811 2.6828 2.6828 3.2117 3.2117 3.3616 3.3616 3.8080 3.8080 4.1088 4.1088 4.3088 4.3088 4.5922 4.5922 5.0852 5.0852 8.2662 8.2662 12.8023 12.8023 15.8842 15.8842 16.2570 16.2570 k = 0.5658-0.1747 0.4082 ( 1948 PWs) bands (ev): -5.3834 -5.3834 2.6820 2.6820 3.2414 3.2414 3.4187 3.4187 3.8065 3.8065 4.1285 4.1285 4.2986 4.2986 4.5809 4.5809 5.0210 5.0210 8.1697 8.1697 12.7647 12.7647 15.9764 15.9764 16.3800 16.3800 k = 0.5592-0.1861 0.4082 ( 1968 PWs) bands (ev): -5.3858 -5.3858 2.6806 2.6806 3.2672 3.2672 3.4770 3.4770 3.8057 3.8057 4.1500 4.1500 4.2892 4.2892 4.5660 4.5660 4.9622 4.9622 8.0775 8.0775 12.7294 12.7294 16.0636 16.0636 16.4974 16.4974 k = 0.5526-0.1975 0.4082 ( 1964 PWs) bands (ev): -5.3880 -5.3880 2.6788 2.6788 3.2896 3.2896 3.5356 3.5356 3.8058 3.8058 4.1725 4.1725 4.2808 4.2808 4.5474 4.5474 4.9101 4.9101 7.9906 7.9906 12.6969 12.6969 16.1451 16.1451 16.6074 16.6074 k = 0.5461-0.2089 0.4082 ( 1962 PWs) bands (ev): -5.3900 -5.3900 2.6770 2.6770 3.3086 3.3086 3.5935 3.5935 3.8066 3.8066 4.1948 4.1948 4.2728 4.2728 4.5249 4.5249 4.8657 4.8657 7.9100 7.9100 12.6676 12.6676 16.2202 16.2202 16.7084 16.7084 k = 0.5395-0.2203 0.4082 ( 1970 PWs) bands (ev): -5.3919 -5.3919 2.6751 2.6751 3.3245 3.3245 3.6498 3.6498 3.8081 3.8081 4.2150 4.2150 4.2646 4.2646 4.5000 4.5000 4.8295 4.8295 7.8370 7.8370 12.6418 12.6418 16.2878 16.2878 16.7988 16.7988 k = 0.5329-0.2317 0.4082 ( 1972 PWs) bands (ev): -5.3935 -5.3935 2.6734 2.6734 3.3374 3.3374 3.7032 3.7032 3.8112 3.8112 4.2310 4.2310 4.2551 4.2551 4.4758 4.4758 4.8010 4.8010 7.7726 7.7726 12.6196 12.6196 16.3472 16.3472 16.8773 16.8773 k = 0.5263-0.2431 0.4082 ( 1962 PWs) bands (ev): -5.3948 -5.3948 2.6720 2.6720 3.3477 3.3477 3.7503 3.7503 3.8186 3.8186 4.2393 4.2393 4.2442 4.2442 4.4567 4.4567 4.7793 4.7793 7.7179 7.7179 12.6013 12.6013 16.3974 16.3974 16.9427 16.9427 k = 0.5197-0.2545 0.4082 ( 1964 PWs) bands (ev): -5.3959 -5.3959 2.6708 2.6708 3.3553 3.3553 3.7810 3.7810 3.8384 3.8384 4.2222 4.2222 4.2476 4.2476 4.4457 4.4457 4.7634 4.7634 7.6741 7.6741 12.5870 12.5870 16.4375 16.4375 16.9943 16.9943 k = 0.5132-0.2659 0.4082 ( 1964 PWs) bands (ev): -5.3967 -5.3967 2.6699 2.6699 3.3607 3.3607 3.7924 3.7924 3.8708 3.8708 4.1990 4.1990 4.2496 4.2496 4.4419 4.4419 4.7526 4.7526 7.6420 7.6420 12.5767 12.5767 16.4667 16.4667 17.0316 17.0316 k = 0.5066-0.2773 0.4082 ( 1964 PWs) bands (ev): -5.3972 -5.3972 2.6694 2.6694 3.3638 3.3638 3.7960 3.7960 3.8990 3.8990 4.1783 4.1783 4.2501 4.2501 4.4418 4.4418 4.7461 4.7461 7.6225 7.6225 12.5705 12.5705 16.4845 16.4845 17.0541 17.0541 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -5.3974 -5.3974 2.6692 2.6692 3.3648 3.3648 3.7969 3.7969 3.9102 3.9102 4.1696 4.1696 4.2502 4.2502 4.4422 4.4422 4.7440 4.7440 7.6159 7.6159 12.5684 12.5684 16.4905 16.4905 17.0616 17.0616 Writing output data file AgI.save init_run : 0.66s CPU 0.38s WALL ( 1 calls) electrons : 202.01s CPU 113.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 202.00s CPU 113.26s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.21s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.11s WALL ( 350 calls) cegterg : 183.04s CPU 102.34s WALL ( 350 calls) Called by sum_band: Called by *egterg: h_psi : 98.40s CPU 55.33s WALL ( 5315 calls) s_psi : 2.10s CPU 1.15s WALL ( 5315 calls) g_psi : 0.06s CPU 0.03s WALL ( 4615 calls) cdiaghg : 83.88s CPU 46.39s WALL ( 4965 calls) cegterg:over : 6.76s CPU 3.74s WALL ( 4615 calls) cegterg:upda : 3.24s CPU 1.71s WALL ( 4615 calls) cegterg:last : 1.74s CPU 1.05s WALL ( 1050 calls) cdiaghg:chol : 2.98s CPU 1.74s WALL ( 4965 calls) cdiaghg:inve : 0.76s CPU 0.39s WALL ( 4965 calls) cdiaghg:para : 6.87s CPU 3.75s WALL ( 9930 calls) Called by h_psi: h_psi:vloc : 92.88s CPU 52.26s WALL ( 5315 calls) h_psi:vnl : 5.47s CPU 3.04s WALL ( 5315 calls) add_vuspsi : 2.96s CPU 1.62s WALL ( 5315 calls) General routines calbec : 2.47s CPU 1.40s WALL ( 5315 calls) fft : 0.06s CPU 0.04s WALL ( 15 calls) fftw : 91.04s CPU 51.17s WALL ( 329520 calls) davcio : 0.16s CPU 0.16s WALL ( 700 calls) Parallel routines fft_scatter : 67.07s CPU 37.26s WALL ( 329535 calls) PWSCF : 3m41.55s CPU 2m23.23s WALL This run was terminated on: 13: 4:33 15Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=