Program PWSCF v.5.1.1 starts on 27Aug2015 at 22: 7:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CuBr.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 17 5 447 331 54 Max 22 18 6 451 339 57 Sum 1027 847 253 21547 16049 2637 bravais-lattice index = 14 lattice parameter (alat) = 7.7769 a.u. unit-cell volume = 332.5872 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.776906 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Cu 11.00 63.54600 Cu( 1.00) 6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 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 inv. 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 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 363 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0092593 -0.0053458 0.0075602), wk = 0.0027548 k( 3) = ( 0.0185185 -0.0106917 0.0151203), wk = 0.0027548 k( 4) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0027548 k( 5) = ( 0.0370370 -0.0213833 0.0302406), wk = 0.0027548 k( 6) = ( 0.0462963 -0.0267292 0.0378008), wk = 0.0027548 k( 7) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0027548 k( 8) = ( 0.0648148 -0.0374208 0.0529211), wk = 0.0027548 k( 9) = ( 0.0740741 -0.0427667 0.0604812), wk = 0.0027548 k( 10) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0027548 k( 11) = ( 0.0925926 -0.0534584 0.0756015), wk = 0.0027548 k( 12) = ( 0.1018518 -0.0588042 0.0831617), wk = 0.0027548 k( 13) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0027548 k( 14) = ( 0.1203704 -0.0694959 0.0982820), wk = 0.0027548 k( 15) = ( 0.1296296 -0.0748417 0.1058421), wk = 0.0027548 k( 16) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0027548 k( 17) = ( 0.1481482 -0.0855334 0.1209625), wk = 0.0027548 k( 18) = ( 0.1574074 -0.0908792 0.1285226), wk = 0.0027548 k( 19) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0027548 k( 20) = ( 0.1759259 -0.1015709 0.1436429), wk = 0.0027548 k( 21) = ( 0.1851852 -0.1069167 0.1512031), wk = 0.0027548 k( 22) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0027548 k( 23) = ( 0.2037037 -0.1176084 0.1663234), wk = 0.0027548 k( 24) = ( 0.2129630 -0.1229542 0.1738835), wk = 0.0027548 k( 25) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0027548 k( 26) = ( 0.2314815 -0.1336459 0.1890038), wk = 0.0027548 k( 27) = ( 0.2407407 -0.1389917 0.1965640), wk = 0.0027548 k( 28) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0027548 k( 29) = ( 0.2592593 -0.1496834 0.2116843), wk = 0.0027548 k( 30) = ( 0.2685185 -0.1550292 0.2192445), wk = 0.0027548 k( 31) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0027548 k( 32) = ( 0.2870370 -0.1657209 0.2343648), wk = 0.0027548 k( 33) = ( 0.2962963 -0.1710667 0.2419249), wk = 0.0027548 k( 34) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0027548 k( 35) = ( 0.3148148 -0.1817584 0.2570452), wk = 0.0027548 k( 36) = ( 0.3240741 -0.1871043 0.2646054), wk = 0.0027548 k( 37) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0027548 k( 38) = ( 0.3425926 -0.1977959 0.2797257), wk = 0.0027548 k( 39) = ( 0.3518519 -0.2031418 0.2872858), wk = 0.0027548 k( 40) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0027548 k( 41) = ( 0.3703704 -0.2138334 0.3024061), wk = 0.0027548 k( 42) = ( 0.3796296 -0.2191793 0.3099663), wk = 0.0027548 k( 43) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0027548 k( 44) = ( 0.3981481 -0.2298709 0.3250866), wk = 0.0027548 k( 45) = ( 0.4074074 -0.2352168 0.3326468), wk = 0.0027548 k( 46) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0027548 k( 47) = ( 0.4259259 -0.2459085 0.3477671), wk = 0.0027548 k( 48) = ( 0.4351852 -0.2512543 0.3553272), wk = 0.0027548 k( 49) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0027548 k( 50) = ( 0.4537037 -0.2619460 0.3704475), wk = 0.0027548 k( 51) = ( 0.4629630 -0.2672918 0.3780077), wk = 0.0027548 k( 52) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0027548 k( 53) = ( 0.4814815 -0.2779835 0.3931280), wk = 0.0027548 k( 54) = ( 0.4907407 -0.2833293 0.4006881), wk = 0.0027548 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027548 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027548 k( 57) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0027548 k( 58) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0027548 k( 59) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0027548 k( 60) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0027548 k( 61) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0027548 k( 62) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0027548 k( 63) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0027548 k( 64) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0027548 k( 65) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0027548 k( 66) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0027548 k( 67) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0027548 k( 68) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0027548 k( 69) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0027548 k( 70) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0027548 k( 71) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0027548 k( 72) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0027548 k( 73) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0027548 k( 74) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0027548 k( 75) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0027548 k( 76) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0027548 k( 77) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0027548 k( 78) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0027548 k( 79) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0027548 k( 80) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0027548 k( 81) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0027548 k( 82) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0027548 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027548 k( 84) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027548 k( 85) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0027548 k( 86) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0027548 k( 87) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0027548 k( 88) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0027548 k( 89) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0027548 k( 90) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0027548 k( 91) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0027548 k( 92) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0027548 k( 93) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0027548 k( 94) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0027548 k( 95) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0027548 k( 96) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0027548 k( 97) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0027548 k( 98) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0027548 k( 99) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0027548 k( 100) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0027548 k( 101) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0027548 k( 102) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0027548 k( 103) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0027548 k( 104) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027548 k( 105) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027548 k( 106) = ( 0.3685345 0.2127735 0.6018143), wk = 0.0027548 k( 107) = ( 0.3620690 0.2090406 0.5912561), wk = 0.0027548 k( 108) = ( 0.3556034 0.2053077 0.5806980), wk = 0.0027548 k( 109) = ( 0.3491379 0.2015749 0.5701399), wk = 0.0027548 k( 110) = ( 0.3426724 0.1978420 0.5595817), wk = 0.0027548 k( 111) = ( 0.3362069 0.1941091 0.5490236), wk = 0.0027548 k( 112) = ( 0.3297414 0.1903763 0.5384654), wk = 0.0027548 k( 113) = ( 0.3232759 0.1866434 0.5279073), wk = 0.0027548 k( 114) = ( 0.3168103 0.1829105 0.5173491), wk = 0.0027548 k( 115) = ( 0.3103448 0.1791777 0.5067910), wk = 0.0027548 k( 116) = ( 0.3038793 0.1754448 0.4962328), wk = 0.0027548 k( 117) = ( 0.2974138 0.1717119 0.4856747), wk = 0.0027548 k( 118) = ( 0.2909483 0.1679791 0.4751165), wk = 0.0027548 k( 119) = ( 0.2844828 0.1642462 0.4645584), wk = 0.0027548 k( 120) = ( 0.2780172 0.1605133 0.4540003), wk = 0.0027548 k( 121) = ( 0.2715517 0.1567805 0.4434421), wk = 0.0027548 k( 122) = ( 0.2650862 0.1530476 0.4328840), wk = 0.0027548 k( 123) = ( 0.2586207 0.1493147 0.4223258), wk = 0.0027548 k( 124) = ( 0.2521552 0.1455819 0.4117677), wk = 0.0027548 k( 125) = ( 0.2456897 0.1418490 0.4012095), wk = 0.0027548 k( 126) = ( 0.2392241 0.1381161 0.3906514), wk = 0.0027548 k( 127) = ( 0.2327586 0.1343833 0.3800932), wk = 0.0027548 k( 128) = ( 0.2262931 0.1306504 0.3695351), wk = 0.0027548 k( 129) = ( 0.2198276 0.1269175 0.3589769), wk = 0.0027548 k( 130) = ( 0.2133621 0.1231846 0.3484188), wk = 0.0027548 k( 131) = ( 0.2068966 0.1194518 0.3378607), wk = 0.0027548 k( 132) = ( 0.2004310 0.1157189 0.3273025), wk = 0.0027548 k( 133) = ( 0.1939655 0.1119860 0.3167444), wk = 0.0027548 k( 134) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0027548 k( 135) = ( 0.1810345 0.1045203 0.2956281), wk = 0.0027548 k( 136) = ( 0.1745690 0.1007874 0.2850699), wk = 0.0027548 k( 137) = ( 0.1681034 0.0970546 0.2745118), wk = 0.0027548 k( 138) = ( 0.1616379 0.0933217 0.2639536), wk = 0.0027548 k( 139) = ( 0.1551724 0.0895888 0.2533955), wk = 0.0027548 k( 140) = ( 0.1487069 0.0858560 0.2428373), wk = 0.0027548 k( 141) = ( 0.1422414 0.0821231 0.2322792), wk = 0.0027548 k( 142) = ( 0.1357759 0.0783902 0.2217211), wk = 0.0027548 k( 143) = ( 0.1293103 0.0746574 0.2111629), wk = 0.0027548 k( 144) = ( 0.1228448 0.0709245 0.2006048), wk = 0.0027548 k( 145) = ( 0.1163793 0.0671916 0.1900466), wk = 0.0027548 k( 146) = ( 0.1099138 0.0634588 0.1794885), wk = 0.0027548 k( 147) = ( 0.1034483 0.0597259 0.1689303), wk = 0.0027548 k( 148) = ( 0.0969828 0.0559930 0.1583722), wk = 0.0027548 k( 149) = ( 0.0905172 0.0522602 0.1478140), wk = 0.0027548 k( 150) = ( 0.0840517 0.0485273 0.1372559), wk = 0.0027548 k( 151) = ( 0.0775862 0.0447944 0.1266977), wk = 0.0027548 k( 152) = ( 0.0711207 0.0410615 0.1161396), wk = 0.0027548 k( 153) = ( 0.0646552 0.0373287 0.1055815), wk = 0.0027548 k( 154) = ( 0.0581897 0.0335958 0.0950233), wk = 0.0027548 k( 155) = ( 0.0517241 0.0298629 0.0844652), wk = 0.0027548 k( 156) = ( 0.0452586 0.0261301 0.0739070), wk = 0.0027548 k( 157) = ( 0.0387931 0.0223972 0.0633489), wk = 0.0027548 k( 158) = ( 0.0323276 0.0186643 0.0527907), wk = 0.0027548 k( 159) = ( 0.0258621 0.0149315 0.0422326), wk = 0.0027548 k( 160) = ( 0.0193965 0.0111986 0.0316744), wk = 0.0027548 k( 161) = ( 0.0129310 0.0074657 0.0211163), wk = 0.0027548 k( 162) = ( 0.0064655 0.0037329 0.0105581), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 165) = ( 0.0106383 0.0061420 0.0043431), wk = 0.0027548 k( 166) = ( 0.0212766 0.0122841 0.0086861), wk = 0.0027548 k( 167) = ( 0.0319149 0.0184261 0.0130292), wk = 0.0027548 k( 168) = ( 0.0425532 0.0245681 0.0173723), wk = 0.0027548 k( 169) = ( 0.0531915 0.0307101 0.0217153), wk = 0.0027548 k( 170) = ( 0.0638298 0.0368521 0.0260584), wk = 0.0027548 k( 171) = ( 0.0744681 0.0429942 0.0304015), wk = 0.0027548 k( 172) = ( 0.0851064 0.0491362 0.0347445), wk = 0.0027548 k( 173) = ( 0.0957447 0.0552782 0.0390876), wk = 0.0027548 k( 174) = ( 0.1063830 0.0614202 0.0434307), wk = 0.0027548 k( 175) = ( 0.1170213 0.0675623 0.0477737), wk = 0.0027548 k( 176) = ( 0.1276596 0.0737043 0.0521168), wk = 0.0027548 k( 177) = ( 0.1382979 0.0798463 0.0564599), wk = 0.0027548 k( 178) = ( 0.1489362 0.0859883 0.0608029), wk = 0.0027548 k( 179) = ( 0.1595745 0.0921304 0.0651460), wk = 0.0027548 k( 180) = ( 0.1702128 0.0982724 0.0694891), wk = 0.0027548 k( 181) = ( 0.1808511 0.1044144 0.0738321), wk = 0.0027548 k( 182) = ( 0.1914894 0.1105564 0.0781752), wk = 0.0027548 k( 183) = ( 0.2021277 0.1166985 0.0825183), wk = 0.0027548 k( 184) = ( 0.2127660 0.1228405 0.0868613), wk = 0.0027548 k( 185) = ( 0.2234043 0.1289825 0.0912044), wk = 0.0027548 k( 186) = ( 0.2340425 0.1351245 0.0955475), wk = 0.0027548 k( 187) = ( 0.2446809 0.1412666 0.0998905), wk = 0.0027548 k( 188) = ( 0.2553191 0.1474086 0.1042336), wk = 0.0027548 k( 189) = ( 0.2659574 0.1535506 0.1085767), wk = 0.0027548 k( 190) = ( 0.2765957 0.1596926 0.1129197), wk = 0.0027548 k( 191) = ( 0.2872340 0.1658347 0.1172628), wk = 0.0027548 k( 192) = ( 0.2978723 0.1719767 0.1216059), wk = 0.0027548 k( 193) = ( 0.3085106 0.1781187 0.1259489), wk = 0.0027548 k( 194) = ( 0.3191489 0.1842607 0.1302920), wk = 0.0027548 k( 195) = ( 0.3297872 0.1904027 0.1346351), wk = 0.0027548 k( 196) = ( 0.3404255 0.1965448 0.1389781), wk = 0.0027548 k( 197) = ( 0.3510638 0.2026868 0.1433212), wk = 0.0027548 k( 198) = ( 0.3617021 0.2088288 0.1476643), wk = 0.0027548 k( 199) = ( 0.3723404 0.2149708 0.1520073), wk = 0.0027548 k( 200) = ( 0.3829787 0.2211129 0.1563504), wk = 0.0027548 k( 201) = ( 0.3936170 0.2272549 0.1606935), wk = 0.0027548 k( 202) = ( 0.4042553 0.2333969 0.1650365), wk = 0.0027548 k( 203) = ( 0.4148936 0.2395389 0.1693796), wk = 0.0027548 k( 204) = ( 0.4255319 0.2456810 0.1737227), wk = 0.0027548 k( 205) = ( 0.4361702 0.2518230 0.1780657), wk = 0.0027548 k( 206) = ( 0.4468085 0.2579650 0.1824088), wk = 0.0027548 k( 207) = ( 0.4574468 0.2641070 0.1867519), wk = 0.0027548 k( 208) = ( 0.4680851 0.2702491 0.1910949), wk = 0.0027548 k( 209) = ( 0.4787234 0.2763911 0.1954380), wk = 0.0027548 k( 210) = ( 0.4893617 0.2825331 0.1997811), wk = 0.0027548 k( 211) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027548 k( 212) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027548 k( 213) = ( 0.5036765 0.2780621 0.2101278), wk = 0.0027548 k( 214) = ( 0.5073529 0.2674490 0.2161314), wk = 0.0027548 k( 215) = ( 0.5110294 0.2568360 0.2221351), wk = 0.0027548 k( 216) = ( 0.5147059 0.2462229 0.2281387), wk = 0.0027548 k( 217) = ( 0.5183823 0.2356098 0.2341424), wk = 0.0027548 k( 218) = ( 0.5220588 0.2249968 0.2401461), wk = 0.0027548 k( 219) = ( 0.5257353 0.2143837 0.2461497), wk = 0.0027548 k( 220) = ( 0.5294118 0.2037707 0.2521534), wk = 0.0027548 k( 221) = ( 0.5330882 0.1931576 0.2581570), wk = 0.0027548 k( 222) = ( 0.5367647 0.1825446 0.2641607), wk = 0.0027548 k( 223) = ( 0.5404412 0.1719315 0.2701643), wk = 0.0027548 k( 224) = ( 0.5441177 0.1613185 0.2761680), wk = 0.0027548 k( 225) = ( 0.5477941 0.1507054 0.2821716), wk = 0.0027548 k( 226) = ( 0.5514706 0.1400923 0.2881753), wk = 0.0027548 k( 227) = ( 0.5551471 0.1294793 0.2941789), wk = 0.0027548 k( 228) = ( 0.5588235 0.1188662 0.3001826), wk = 0.0027548 k( 229) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0027548 k( 230) = ( 0.5661765 0.0976401 0.3121899), wk = 0.0027548 k( 231) = ( 0.5698529 0.0870271 0.3181935), wk = 0.0027548 k( 232) = ( 0.5735294 0.0764140 0.3241972), wk = 0.0027548 k( 233) = ( 0.5772059 0.0658010 0.3302008), wk = 0.0027548 k( 234) = ( 0.5808823 0.0551879 0.3362045), wk = 0.0027548 k( 235) = ( 0.5845588 0.0445748 0.3422081), wk = 0.0027548 k( 236) = ( 0.5882353 0.0339618 0.3482118), wk = 0.0027548 k( 237) = ( 0.5919118 0.0233487 0.3542154), wk = 0.0027548 k( 238) = ( 0.5955882 0.0127357 0.3602191), wk = 0.0027548 k( 239) = ( 0.5992647 0.0021226 0.3662227), wk = 0.0027548 k( 240) = ( 0.6029412 -0.0084904 0.3722264), wk = 0.0027548 k( 241) = ( 0.6066177 -0.0191035 0.3782300), wk = 0.0027548 k( 242) = ( 0.6102941 -0.0297166 0.3842337), wk = 0.0027548 k( 243) = ( 0.6139706 -0.0403296 0.3902373), wk = 0.0027548 k( 244) = ( 0.6176471 -0.0509427 0.3962410), wk = 0.0027548 k( 245) = ( 0.6213235 -0.0615557 0.4022446), wk = 0.0027548 k( 246) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027548 k( 247) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027548 k( 248) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0027548 k( 249) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0027548 k( 250) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0027548 k( 251) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0027548 k( 252) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0027548 k( 253) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0027548 k( 254) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0027548 k( 255) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0027548 k( 256) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0027548 k( 257) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0027548 k( 258) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0027548 k( 259) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0027548 k( 260) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0027548 k( 261) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0027548 k( 262) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0027548 k( 263) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0027548 k( 264) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0027548 k( 265) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0027548 k( 266) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0027548 k( 267) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027548 k( 268) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027548 k( 269) = ( 0.5000000 0.0074019 0.6019045), wk = 0.0027548 k( 270) = ( 0.5000000 0.0148038 0.5914366), wk = 0.0027548 k( 271) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0027548 k( 272) = ( 0.5000000 0.0296077 0.5705008), wk = 0.0027548 k( 273) = ( 0.5000000 0.0370096 0.5600329), wk = 0.0027548 k( 274) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0027548 k( 275) = ( 0.5000000 0.0518135 0.5390971), wk = 0.0027548 k( 276) = ( 0.5000000 0.0592154 0.5286292), wk = 0.0027548 k( 277) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0027548 k( 278) = ( 0.5000000 0.0740193 0.5076934), wk = 0.0027548 k( 279) = ( 0.5000000 0.0814212 0.4972255), wk = 0.0027548 k( 280) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0027548 k( 281) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0027548 k( 282) = ( 0.5000000 0.1036270 0.4658218), wk = 0.0027548 k( 283) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0027548 k( 284) = ( 0.5000000 0.1184308 0.4448860), wk = 0.0027548 k( 285) = ( 0.5000000 0.1258328 0.4344181), wk = 0.0027548 k( 286) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0027548 k( 287) = ( 0.5000000 0.1406366 0.4134822), wk = 0.0027548 k( 288) = ( 0.5000000 0.1480385 0.4030143), wk = 0.0027548 k( 289) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0027548 k( 290) = ( 0.5000000 0.1628424 0.3820785), wk = 0.0027548 k( 291) = ( 0.5000000 0.1702443 0.3716106), wk = 0.0027548 k( 292) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0027548 k( 293) = ( 0.5000000 0.1850482 0.3506748), wk = 0.0027548 k( 294) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0027548 k( 295) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0027548 k( 296) = ( 0.5000000 0.2072539 0.3192711), wk = 0.0027548 k( 297) = ( 0.5000000 0.2146559 0.3088032), wk = 0.0027548 k( 298) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0027548 k( 299) = ( 0.5000000 0.2294597 0.2878674), wk = 0.0027548 k( 300) = ( 0.5000000 0.2368617 0.2773995), wk = 0.0027548 k( 301) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0027548 k( 302) = ( 0.5000000 0.2516655 0.2564637), wk = 0.0027548 k( 303) = ( 0.5000000 0.2590674 0.2459958), wk = 0.0027548 k( 304) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0027548 k( 305) = ( 0.5000000 0.2738713 0.2250600), wk = 0.0027548 k( 306) = ( 0.5000000 0.2812732 0.2145921), wk = 0.0027548 k( 307) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027548 k( 308) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027548 k( 309) = ( 0.4963235 0.2865525 0.2161314), wk = 0.0027548 k( 310) = ( 0.4926471 0.2844299 0.2281387), wk = 0.0027548 k( 311) = ( 0.4889706 0.2823073 0.2401460), wk = 0.0027548 k( 312) = ( 0.4852941 0.2801847 0.2521533), wk = 0.0027548 k( 313) = ( 0.4816177 0.2780621 0.2641607), wk = 0.0027548 k( 314) = ( 0.4779412 0.2759395 0.2761680), wk = 0.0027548 k( 315) = ( 0.4742647 0.2738169 0.2881753), wk = 0.0027548 k( 316) = ( 0.4705882 0.2716942 0.3001826), wk = 0.0027548 k( 317) = ( 0.4669118 0.2695716 0.3121899), wk = 0.0027548 k( 318) = ( 0.4632353 0.2674490 0.3241972), wk = 0.0027548 k( 319) = ( 0.4595588 0.2653264 0.3362045), wk = 0.0027548 k( 320) = ( 0.4558823 0.2632038 0.3482118), wk = 0.0027548 k( 321) = ( 0.4522059 0.2610812 0.3602191), wk = 0.0027548 k( 322) = ( 0.4485294 0.2589586 0.3722264), wk = 0.0027548 k( 323) = ( 0.4448529 0.2568360 0.3842337), wk = 0.0027548 k( 324) = ( 0.4411765 0.2547134 0.3962410), wk = 0.0027548 k( 325) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0027548 k( 326) = ( 0.4338235 0.2504681 0.4202556), wk = 0.0027548 k( 327) = ( 0.4301471 0.2483455 0.4322629), wk = 0.0027548 k( 328) = ( 0.4264706 0.2462229 0.4442702), wk = 0.0027548 k( 329) = ( 0.4227941 0.2441003 0.4562775), wk = 0.0027548 k( 330) = ( 0.4191177 0.2419777 0.4682848), wk = 0.0027548 k( 331) = ( 0.4154412 0.2398551 0.4802921), wk = 0.0027548 k( 332) = ( 0.4117647 0.2377325 0.4922994), wk = 0.0027548 k( 333) = ( 0.4080882 0.2356099 0.5043067), wk = 0.0027548 k( 334) = ( 0.4044118 0.2334872 0.5163140), wk = 0.0027548 k( 335) = ( 0.4007353 0.2313646 0.5283213), wk = 0.0027548 k( 336) = ( 0.3970588 0.2292420 0.5403286), wk = 0.0027548 k( 337) = ( 0.3933823 0.2271194 0.5523359), wk = 0.0027548 k( 338) = ( 0.3897059 0.2249968 0.5643432), wk = 0.0027548 k( 339) = ( 0.3860294 0.2228742 0.5763505), wk = 0.0027548 k( 340) = ( 0.3823529 0.2207516 0.5883578), wk = 0.0027548 k( 341) = ( 0.3786765 0.2186290 0.6003651), wk = 0.0027548 k( 342) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027548 k( 343) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027548 k( 344) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0027548 k( 345) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0027548 k( 346) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0027548 k( 347) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0027548 k( 348) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0027548 k( 349) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0027548 k( 350) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0027548 k( 351) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0027548 k( 352) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0027548 k( 353) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0027548 k( 354) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0027548 k( 355) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0027548 k( 356) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0027548 k( 357) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0027548 k( 358) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0027548 k( 359) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0027548 k( 360) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0027548 k( 361) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0027548 k( 362) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0027548 k( 363) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027548 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0092593 0.0000000 0.0092593), wk = 0.0027548 k( 3) = ( 0.0185185 0.0000000 0.0185185), wk = 0.0027548 k( 4) = ( 0.0277778 0.0000000 0.0277778), wk = 0.0027548 k( 5) = ( 0.0370370 0.0000000 0.0370370), wk = 0.0027548 k( 6) = ( 0.0462963 0.0000000 0.0462963), wk = 0.0027548 k( 7) = ( 0.0555556 0.0000000 0.0555556), wk = 0.0027548 k( 8) = ( 0.0648148 0.0000000 0.0648148), wk = 0.0027548 k( 9) = ( 0.0740741 0.0000000 0.0740741), wk = 0.0027548 k( 10) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0027548 k( 11) = ( 0.0925926 0.0000000 0.0925926), wk = 0.0027548 k( 12) = ( 0.1018518 0.0000000 0.1018518), wk = 0.0027548 k( 13) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0027548 k( 14) = ( 0.1203704 0.0000000 0.1203704), wk = 0.0027548 k( 15) = ( 0.1296296 0.0000000 0.1296296), wk = 0.0027548 k( 16) = ( 0.1388889 0.0000000 0.1388889), wk = 0.0027548 k( 17) = ( 0.1481482 0.0000000 0.1481482), wk = 0.0027548 k( 18) = ( 0.1574074 0.0000000 0.1574074), wk = 0.0027548 k( 19) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0027548 k( 20) = ( 0.1759259 0.0000000 0.1759259), wk = 0.0027548 k( 21) = ( 0.1851852 0.0000000 0.1851852), wk = 0.0027548 k( 22) = ( 0.1944444 0.0000000 0.1944444), wk = 0.0027548 k( 23) = ( 0.2037037 0.0000000 0.2037037), wk = 0.0027548 k( 24) = ( 0.2129630 0.0000000 0.2129630), wk = 0.0027548 k( 25) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0027548 k( 26) = ( 0.2314815 0.0000000 0.2314815), wk = 0.0027548 k( 27) = ( 0.2407407 0.0000000 0.2407407), wk = 0.0027548 k( 28) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0027548 k( 29) = ( 0.2592593 0.0000000 0.2592593), wk = 0.0027548 k( 30) = ( 0.2685185 0.0000000 0.2685185), wk = 0.0027548 k( 31) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0027548 k( 32) = ( 0.2870370 0.0000000 0.2870370), wk = 0.0027548 k( 33) = ( 0.2962963 0.0000000 0.2962963), wk = 0.0027548 k( 34) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0027548 k( 35) = ( 0.3148148 0.0000000 0.3148148), wk = 0.0027548 k( 36) = ( 0.3240741 0.0000000 0.3240741), wk = 0.0027548 k( 37) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0027548 k( 38) = ( 0.3425926 0.0000000 0.3425926), wk = 0.0027548 k( 39) = ( 0.3518519 0.0000000 0.3518519), wk = 0.0027548 k( 40) = ( 0.3611111 0.0000000 0.3611111), wk = 0.0027548 k( 41) = ( 0.3703704 0.0000000 0.3703704), wk = 0.0027548 k( 42) = ( 0.3796296 0.0000000 0.3796296), wk = 0.0027548 k( 43) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0027548 k( 44) = ( 0.3981481 0.0000000 0.3981481), wk = 0.0027548 k( 45) = ( 0.4074074 0.0000000 0.4074074), wk = 0.0027548 k( 46) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0027548 k( 47) = ( 0.4259259 0.0000000 0.4259259), wk = 0.0027548 k( 48) = ( 0.4351852 0.0000000 0.4351852), wk = 0.0027548 k( 49) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0027548 k( 50) = ( 0.4537037 0.0000000 0.4537037), wk = 0.0027548 k( 51) = ( 0.4629630 0.0000000 0.4629630), wk = 0.0027548 k( 52) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0027548 k( 53) = ( 0.4814815 0.0000000 0.4814815), wk = 0.0027548 k( 54) = ( 0.4907407 0.0000000 0.4907407), wk = 0.0027548 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 57) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0027548 k( 58) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0027548 k( 59) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0027548 k( 60) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0027548 k( 61) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0027548 k( 62) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0027548 k( 63) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0027548 k( 64) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0027548 k( 65) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0027548 k( 66) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0027548 k( 67) = ( 0.5000000 0.1018519 0.6018518), wk = 0.0027548 k( 68) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0027548 k( 69) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0027548 k( 70) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0027548 k( 71) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0027548 k( 72) = ( 0.5000000 0.1481482 0.6481482), wk = 0.0027548 k( 73) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0027548 k( 74) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0027548 k( 75) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0027548 k( 76) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0027548 k( 77) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0027548 k( 78) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0027548 k( 79) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0027548 k( 80) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0027548 k( 81) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0027548 k( 82) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0027548 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027548 k( 84) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027548 k( 85) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0027548 k( 86) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0027548 k( 87) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0027548 k( 88) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0027548 k( 89) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0027548 k( 90) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0027548 k( 91) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0027548 k( 92) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0027548 k( 93) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0027548 k( 94) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0027548 k( 95) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0027548 k( 96) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0027548 k( 97) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0027548 k( 98) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0027548 k( 99) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0027548 k( 100) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0027548 k( 101) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0027548 k( 102) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0027548 k( 103) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0027548 k( 104) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027548 k( 105) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027548 k( 106) = ( 0.3685345 0.3685345 0.7370690), wk = 0.0027548 k( 107) = ( 0.3620690 0.3620690 0.7241379), wk = 0.0027548 k( 108) = ( 0.3556034 0.3556034 0.7112069), wk = 0.0027548 k( 109) = ( 0.3491379 0.3491379 0.6982759), wk = 0.0027548 k( 110) = ( 0.3426724 0.3426724 0.6853448), wk = 0.0027548 k( 111) = ( 0.3362069 0.3362069 0.6724138), wk = 0.0027548 k( 112) = ( 0.3297414 0.3297414 0.6594828), wk = 0.0027548 k( 113) = ( 0.3232759 0.3232759 0.6465517), wk = 0.0027548 k( 114) = ( 0.3168103 0.3168103 0.6336207), wk = 0.0027548 k( 115) = ( 0.3103448 0.3103448 0.6206897), wk = 0.0027548 k( 116) = ( 0.3038793 0.3038793 0.6077586), wk = 0.0027548 k( 117) = ( 0.2974138 0.2974138 0.5948276), wk = 0.0027548 k( 118) = ( 0.2909483 0.2909483 0.5818965), wk = 0.0027548 k( 119) = ( 0.2844828 0.2844828 0.5689655), wk = 0.0027548 k( 120) = ( 0.2780172 0.2780172 0.5560345), wk = 0.0027548 k( 121) = ( 0.2715517 0.2715517 0.5431035), wk = 0.0027548 k( 122) = ( 0.2650862 0.2650862 0.5301724), wk = 0.0027548 k( 123) = ( 0.2586207 0.2586207 0.5172414), wk = 0.0027548 k( 124) = ( 0.2521552 0.2521552 0.5043103), wk = 0.0027548 k( 125) = ( 0.2456897 0.2456897 0.4913793), wk = 0.0027548 k( 126) = ( 0.2392241 0.2392241 0.4784483), wk = 0.0027548 k( 127) = ( 0.2327586 0.2327586 0.4655172), wk = 0.0027548 k( 128) = ( 0.2262931 0.2262931 0.4525862), wk = 0.0027548 k( 129) = ( 0.2198276 0.2198276 0.4396552), wk = 0.0027548 k( 130) = ( 0.2133621 0.2133621 0.4267241), wk = 0.0027548 k( 131) = ( 0.2068966 0.2068966 0.4137931), wk = 0.0027548 k( 132) = ( 0.2004310 0.2004310 0.4008621), wk = 0.0027548 k( 133) = ( 0.1939655 0.1939655 0.3879310), wk = 0.0027548 k( 134) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0027548 k( 135) = ( 0.1810345 0.1810345 0.3620690), wk = 0.0027548 k( 136) = ( 0.1745690 0.1745690 0.3491379), wk = 0.0027548 k( 137) = ( 0.1681034 0.1681034 0.3362069), wk = 0.0027548 k( 138) = ( 0.1616379 0.1616379 0.3232759), wk = 0.0027548 k( 139) = ( 0.1551724 0.1551724 0.3103448), wk = 0.0027548 k( 140) = ( 0.1487069 0.1487069 0.2974138), wk = 0.0027548 k( 141) = ( 0.1422414 0.1422414 0.2844828), wk = 0.0027548 k( 142) = ( 0.1357759 0.1357759 0.2715517), wk = 0.0027548 k( 143) = ( 0.1293103 0.1293103 0.2586207), wk = 0.0027548 k( 144) = ( 0.1228448 0.1228448 0.2456897), wk = 0.0027548 k( 145) = ( 0.1163793 0.1163793 0.2327586), wk = 0.0027548 k( 146) = ( 0.1099138 0.1099138 0.2198276), wk = 0.0027548 k( 147) = ( 0.1034483 0.1034483 0.2068965), wk = 0.0027548 k( 148) = ( 0.0969828 0.0969828 0.1939655), wk = 0.0027548 k( 149) = ( 0.0905172 0.0905172 0.1810345), wk = 0.0027548 k( 150) = ( 0.0840517 0.0840517 0.1681034), wk = 0.0027548 k( 151) = ( 0.0775862 0.0775862 0.1551724), wk = 0.0027548 k( 152) = ( 0.0711207 0.0711207 0.1422414), wk = 0.0027548 k( 153) = ( 0.0646552 0.0646552 0.1293103), wk = 0.0027548 k( 154) = ( 0.0581897 0.0581897 0.1163793), wk = 0.0027548 k( 155) = ( 0.0517241 0.0517241 0.1034483), wk = 0.0027548 k( 156) = ( 0.0452586 0.0452586 0.0905172), wk = 0.0027548 k( 157) = ( 0.0387931 0.0387931 0.0775862), wk = 0.0027548 k( 158) = ( 0.0323276 0.0323276 0.0646552), wk = 0.0027548 k( 159) = ( 0.0258621 0.0258621 0.0517241), wk = 0.0027548 k( 160) = ( 0.0193965 0.0193965 0.0387931), wk = 0.0027548 k( 161) = ( 0.0129310 0.0129310 0.0258621), wk = 0.0027548 k( 162) = ( 0.0064655 0.0064655 0.0129310), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 165) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0027548 k( 166) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0027548 k( 167) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0027548 k( 168) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0027548 k( 169) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0027548 k( 170) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0027548 k( 171) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0027548 k( 172) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0027548 k( 173) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0027548 k( 174) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0027548 k( 175) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0027548 k( 176) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0027548 k( 177) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0027548 k( 178) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0027548 k( 179) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0027548 k( 180) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0027548 k( 181) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0027548 k( 182) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0027548 k( 183) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0027548 k( 184) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0027548 k( 185) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0027548 k( 186) = ( 0.2340425 0.2340426 0.2340425), wk = 0.0027548 k( 187) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0027548 k( 188) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0027548 k( 189) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0027548 k( 190) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0027548 k( 191) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0027548 k( 192) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0027548 k( 193) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0027548 k( 194) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0027548 k( 195) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0027548 k( 196) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0027548 k( 197) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0027548 k( 198) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0027548 k( 199) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0027548 k( 200) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0027548 k( 201) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0027548 k( 202) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0027548 k( 203) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0027548 k( 204) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0027548 k( 205) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0027548 k( 206) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0027548 k( 207) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0027548 k( 208) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0027548 k( 209) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0027548 k( 210) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0027548 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 213) = ( 0.5036765 0.4926471 0.5036765), wk = 0.0027548 k( 214) = ( 0.5073529 0.4852941 0.5073529), wk = 0.0027548 k( 215) = ( 0.5110294 0.4779412 0.5110294), wk = 0.0027548 k( 216) = ( 0.5147059 0.4705882 0.5147059), wk = 0.0027548 k( 217) = ( 0.5183823 0.4632353 0.5183823), wk = 0.0027548 k( 218) = ( 0.5220588 0.4558823 0.5220588), wk = 0.0027548 k( 219) = ( 0.5257353 0.4485294 0.5257353), wk = 0.0027548 k( 220) = ( 0.5294118 0.4411765 0.5294118), wk = 0.0027548 k( 221) = ( 0.5330882 0.4338235 0.5330882), wk = 0.0027548 k( 222) = ( 0.5367647 0.4264706 0.5367647), wk = 0.0027548 k( 223) = ( 0.5404412 0.4191177 0.5404412), wk = 0.0027548 k( 224) = ( 0.5441177 0.4117647 0.5441177), wk = 0.0027548 k( 225) = ( 0.5477941 0.4044118 0.5477941), wk = 0.0027548 k( 226) = ( 0.5514706 0.3970588 0.5514706), wk = 0.0027548 k( 227) = ( 0.5551471 0.3897059 0.5551471), wk = 0.0027548 k( 228) = ( 0.5588235 0.3823529 0.5588235), wk = 0.0027548 k( 229) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0027548 k( 230) = ( 0.5661765 0.3676471 0.5661765), wk = 0.0027548 k( 231) = ( 0.5698529 0.3602941 0.5698529), wk = 0.0027548 k( 232) = ( 0.5735294 0.3529412 0.5735294), wk = 0.0027548 k( 233) = ( 0.5772059 0.3455882 0.5772059), wk = 0.0027548 k( 234) = ( 0.5808823 0.3382353 0.5808823), wk = 0.0027548 k( 235) = ( 0.5845588 0.3308823 0.5845588), wk = 0.0027548 k( 236) = ( 0.5882353 0.3235294 0.5882353), wk = 0.0027548 k( 237) = ( 0.5919118 0.3161765 0.5919118), wk = 0.0027548 k( 238) = ( 0.5955882 0.3088235 0.5955882), wk = 0.0027548 k( 239) = ( 0.5992647 0.3014706 0.5992647), wk = 0.0027548 k( 240) = ( 0.6029412 0.2941176 0.6029412), wk = 0.0027548 k( 241) = ( 0.6066177 0.2867647 0.6066177), wk = 0.0027548 k( 242) = ( 0.6102941 0.2794118 0.6102941), wk = 0.0027548 k( 243) = ( 0.6139706 0.2720588 0.6139706), wk = 0.0027548 k( 244) = ( 0.6176471 0.2647059 0.6176471), wk = 0.0027548 k( 245) = ( 0.6213235 0.2573529 0.6213235), wk = 0.0027548 k( 246) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027548 k( 247) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027548 k( 248) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0027548 k( 249) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0027548 k( 250) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0027548 k( 251) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0027548 k( 252) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0027548 k( 253) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0027548 k( 254) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0027548 k( 255) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0027548 k( 256) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0027548 k( 257) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0027548 k( 258) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0027548 k( 259) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0027548 k( 260) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0027548 k( 261) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0027548 k( 262) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0027548 k( 263) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0027548 k( 264) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0027548 k( 265) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0027548 k( 266) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0027548 k( 267) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027548 k( 268) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027548 k( 269) = ( 0.5000000 0.2564103 0.7435897), wk = 0.0027548 k( 270) = ( 0.5000000 0.2628205 0.7371795), wk = 0.0027548 k( 271) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0027548 k( 272) = ( 0.5000000 0.2756410 0.7243590), wk = 0.0027548 k( 273) = ( 0.5000000 0.2820513 0.7179487), wk = 0.0027548 k( 274) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0027548 k( 275) = ( 0.5000000 0.2948718 0.7051282), wk = 0.0027548 k( 276) = ( 0.5000000 0.3012821 0.6987180), wk = 0.0027548 k( 277) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0027548 k( 278) = ( 0.5000000 0.3141026 0.6858974), wk = 0.0027548 k( 279) = ( 0.5000000 0.3205128 0.6794872), wk = 0.0027548 k( 280) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0027548 k( 281) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0027548 k( 282) = ( 0.5000000 0.3397436 0.6602564), wk = 0.0027548 k( 283) = ( 0.5000000 0.3461538 0.6538462), wk = 0.0027548 k( 284) = ( 0.5000000 0.3525641 0.6474359), wk = 0.0027548 k( 285) = ( 0.5000000 0.3589744 0.6410256), wk = 0.0027548 k( 286) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0027548 k( 287) = ( 0.5000000 0.3717949 0.6282051), wk = 0.0027548 k( 288) = ( 0.5000000 0.3782051 0.6217949), wk = 0.0027548 k( 289) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0027548 k( 290) = ( 0.5000000 0.3910256 0.6089744), wk = 0.0027548 k( 291) = ( 0.5000000 0.3974359 0.6025641), wk = 0.0027548 k( 292) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0027548 k( 293) = ( 0.5000000 0.4102564 0.5897436), wk = 0.0027548 k( 294) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0027548 k( 295) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0027548 k( 296) = ( 0.5000000 0.4294872 0.5705128), wk = 0.0027548 k( 297) = ( 0.5000000 0.4358974 0.5641026), wk = 0.0027548 k( 298) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0027548 k( 299) = ( 0.5000000 0.4487180 0.5512820), wk = 0.0027548 k( 300) = ( 0.5000000 0.4551282 0.5448718), wk = 0.0027548 k( 301) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0027548 k( 302) = ( 0.5000000 0.4679487 0.5320513), wk = 0.0027548 k( 303) = ( 0.5000000 0.4743590 0.5256410), wk = 0.0027548 k( 304) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0027548 k( 305) = ( 0.5000000 0.4871795 0.5128205), wk = 0.0027548 k( 306) = ( 0.5000000 0.4935897 0.5064103), wk = 0.0027548 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 308) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027548 k( 309) = ( 0.4963235 0.4963235 0.5073529), wk = 0.0027548 k( 310) = ( 0.4926471 0.4926471 0.5147059), wk = 0.0027548 k( 311) = ( 0.4889706 0.4889706 0.5220588), wk = 0.0027548 k( 312) = ( 0.4852941 0.4852941 0.5294118), wk = 0.0027548 k( 313) = ( 0.4816177 0.4816177 0.5367647), wk = 0.0027548 k( 314) = ( 0.4779412 0.4779412 0.5441177), wk = 0.0027548 k( 315) = ( 0.4742647 0.4742647 0.5514706), wk = 0.0027548 k( 316) = ( 0.4705882 0.4705882 0.5588235), wk = 0.0027548 k( 317) = ( 0.4669118 0.4669118 0.5661765), wk = 0.0027548 k( 318) = ( 0.4632353 0.4632353 0.5735294), wk = 0.0027548 k( 319) = ( 0.4595588 0.4595588 0.5808823), wk = 0.0027548 k( 320) = ( 0.4558823 0.4558823 0.5882353), wk = 0.0027548 k( 321) = ( 0.4522059 0.4522059 0.5955882), wk = 0.0027548 k( 322) = ( 0.4485294 0.4485294 0.6029412), wk = 0.0027548 k( 323) = ( 0.4448529 0.4448529 0.6102941), wk = 0.0027548 k( 324) = ( 0.4411765 0.4411765 0.6176471), wk = 0.0027548 k( 325) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0027548 k( 326) = ( 0.4338235 0.4338235 0.6323529), wk = 0.0027548 k( 327) = ( 0.4301471 0.4301471 0.6397059), wk = 0.0027548 k( 328) = ( 0.4264706 0.4264706 0.6470588), wk = 0.0027548 k( 329) = ( 0.4227941 0.4227941 0.6544118), wk = 0.0027548 k( 330) = ( 0.4191177 0.4191177 0.6617647), wk = 0.0027548 k( 331) = ( 0.4154412 0.4154412 0.6691177), wk = 0.0027548 k( 332) = ( 0.4117647 0.4117647 0.6764706), wk = 0.0027548 k( 333) = ( 0.4080882 0.4080882 0.6838235), wk = 0.0027548 k( 334) = ( 0.4044118 0.4044118 0.6911765), wk = 0.0027548 k( 335) = ( 0.4007353 0.4007353 0.6985294), wk = 0.0027548 k( 336) = ( 0.3970588 0.3970588 0.7058823), wk = 0.0027548 k( 337) = ( 0.3933823 0.3933823 0.7132353), wk = 0.0027548 k( 338) = ( 0.3897059 0.3897059 0.7205882), wk = 0.0027548 k( 339) = ( 0.3860294 0.3860294 0.7279412), wk = 0.0027548 k( 340) = ( 0.3823529 0.3823529 0.7352941), wk = 0.0027548 k( 341) = ( 0.3786765 0.3786765 0.7426471), wk = 0.0027548 k( 342) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027548 k( 343) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027548 k( 344) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0027548 k( 345) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0027548 k( 346) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0027548 k( 347) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0027548 k( 348) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0027548 k( 349) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0027548 k( 350) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0027548 k( 351) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0027548 k( 352) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0027548 k( 353) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0027548 k( 354) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0027548 k( 355) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0027548 k( 356) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0027548 k( 357) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0027548 k( 358) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0027548 k( 359) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0027548 k( 360) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0027548 k( 361) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0027548 k( 362) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0027548 k( 363) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 Dense grid: 21547 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 16049 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 80, 26) NL pseudopotentials 0.03 Mb ( 40, 48) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 450) G-vector shells 0.00 Mb ( 177) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 80, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CuBr.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 40.0 secs Computing kpt #: 2 total cpu time spent up to now is 40.3 secs Computing kpt #: 3 total cpu time spent up to now is 40.5 secs Computing kpt #: 4 total cpu time spent up to now is 40.8 secs Computing kpt #: 5 total cpu time spent up to now is 41.1 secs Computing kpt #: 6 total cpu time spent up to now is 41.3 secs Computing kpt #: 7 total cpu time spent up to now is 41.5 secs Computing kpt #: 8 total cpu time spent up to now is 41.8 secs Computing kpt #: 9 total cpu time spent up to now is 42.0 secs Computing kpt #: 10 total cpu time spent up to now is 42.2 secs Computing kpt #: 11 total cpu time spent up to now is 42.5 secs Computing kpt #: 12 total cpu time spent up to now is 42.7 secs Computing kpt #: 13 total cpu time spent up to now is 43.0 secs Computing kpt #: 14 total cpu time spent up to now is 43.2 secs Computing kpt #: 15 total cpu time spent up to now is 43.5 secs Computing kpt #: 16 total cpu time spent up to now is 43.7 secs Computing kpt #: 17 total cpu time spent up to now is 43.9 secs Computing kpt #: 18 total cpu time spent up to now is 44.2 secs Computing kpt #: 19 total cpu time spent up to now is 44.4 secs Computing kpt #: 20 total cpu time spent up to now is 44.7 secs Computing kpt #: 21 total cpu time spent up to now is 44.9 secs Computing kpt #: 22 total cpu time spent up to now is 45.2 secs Computing kpt #: 23 total cpu time spent up to now is 45.4 secs Computing kpt #: 24 total cpu time spent up to now is 45.7 secs Computing kpt #: 25 total cpu time spent up to now is 45.9 secs Computing kpt #: 26 total cpu time spent up to now is 46.2 secs Computing kpt #: 27 total cpu time spent up to now is 46.5 secs Computing kpt #: 28 total cpu time spent up to now is 46.7 secs Computing kpt #: 29 total cpu time spent up to now is 47.1 secs Computing kpt #: 30 total cpu time spent up to now is 47.4 secs Computing kpt #: 31 total cpu time spent up to now is 47.7 secs Computing kpt #: 32 total cpu time spent up to now is 47.9 secs Computing kpt #: 33 total cpu time spent up to now is 48.3 secs Computing kpt #: 34 total cpu time spent up to now is 48.5 secs Computing kpt #: 35 total cpu time spent up to now is 48.8 secs Computing kpt #: 36 total cpu time spent up to now is 49.1 secs Computing kpt #: 37 total cpu time spent up to now is 49.5 secs Computing kpt #: 38 total cpu time spent up to now is 49.8 secs Computing kpt #: 39 total cpu time spent up to now is 50.1 secs Computing kpt #: 40 total cpu time spent up to now is 50.4 secs Computing kpt #: 41 total cpu time spent up to now is 50.7 secs Computing kpt #: 42 total cpu time spent up to now is 51.1 secs Computing kpt #: 43 total cpu time spent up to now is 51.5 secs Computing kpt #: 44 total cpu time spent up to now is 51.8 secs Computing kpt #: 45 total cpu time spent up to now is 52.1 secs Computing kpt #: 46 total cpu time spent up to now is 52.4 secs Computing kpt #: 47 total cpu time spent up to now is 52.7 secs Computing kpt #: 48 total cpu time spent up to now is 53.0 secs Computing kpt #: 49 total cpu time spent up to now is 53.3 secs Computing kpt #: 50 total cpu time spent up to now is 53.6 secs Computing kpt #: 51 total cpu time spent up to now is 54.0 secs Computing kpt #: 52 total cpu time spent up to now is 54.3 secs Computing kpt #: 53 total cpu time spent up to now is 54.5 secs Computing kpt #: 54 total cpu time spent up to now is 54.8 secs Computing kpt #: 55 total cpu time spent up to now is 55.1 secs Computing kpt #: 56 total cpu time spent up to now is 55.5 secs Computing kpt #: 57 total cpu time spent up to now is 55.9 secs Computing kpt #: 58 total cpu time spent up to now is 56.2 secs Computing kpt #: 59 total cpu time spent up to now is 56.6 secs Computing kpt #: 60 total cpu time spent up to now is 56.9 secs Computing kpt #: 61 total cpu time spent up to now is 57.2 secs Computing kpt #: 62 total cpu time spent up to now is 57.5 secs Computing kpt #: 63 total cpu time spent up to now is 57.8 secs Computing kpt #: 64 total cpu time spent up to now is 58.1 secs Computing kpt #: 65 total cpu time spent up to now is 58.3 secs Computing kpt #: 66 total cpu time spent up to now is 58.6 secs Computing kpt #: 67 total cpu time spent up to now is 58.9 secs Computing kpt #: 68 total cpu time spent up to now is 59.1 secs Computing kpt #: 69 total cpu time spent up to now is 59.4 secs Computing kpt #: 70 total cpu time spent up to now is 59.6 secs Computing kpt #: 71 total cpu time spent up to now is 59.9 secs Computing kpt #: 72 total cpu time spent up to now is 60.1 secs Computing kpt #: 73 total cpu time spent up to now is 60.4 secs Computing kpt #: 74 total cpu time spent up to now is 60.6 secs Computing kpt #: 75 total cpu time spent up to now is 61.1 secs Computing kpt #: 76 total cpu time spent up to now is 61.4 secs Computing kpt #: 77 total cpu time spent up to now is 61.7 secs Computing kpt #: 78 total cpu time spent up to now is 62.1 secs Computing kpt #: 79 total cpu time spent up to now is 62.4 secs Computing kpt #: 80 total cpu time spent up to now is 62.6 secs Computing kpt #: 81 total cpu time spent up to now is 62.9 secs Computing kpt #: 82 total cpu time spent up to now is 63.6 secs Computing kpt #: 83 total cpu time spent up to now is 64.1 secs Computing kpt #: 84 total cpu time spent up to now is 64.5 secs Computing kpt #: 85 total cpu time spent up to now is 64.9 secs Computing kpt #: 86 total cpu 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Computing kpt #: 102 total cpu time spent up to now is 70.1 secs Computing kpt #: 103 total cpu time spent up to now is 70.4 secs Computing kpt #: 104 total cpu time spent up to now is 70.8 secs Computing kpt #: 105 total cpu time spent up to now is 71.1 secs Computing kpt #: 106 total cpu time spent up to now is 71.6 secs Computing kpt #: 107 total cpu time spent up to now is 71.9 secs Computing kpt #: 108 total cpu time spent up to now is 72.4 secs Computing kpt #: 109 total cpu time spent up to now is 72.6 secs Computing kpt #: 110 total cpu time spent up to now is 73.1 secs Computing kpt #: 111 total cpu time spent up to now is 73.5 secs Computing kpt #: 112 total cpu time spent up to now is 73.8 secs Computing kpt #: 113 total cpu time spent up to now is 74.3 secs Computing kpt #: 114 total cpu time spent up to now is 74.8 secs Computing kpt #: 115 total cpu time spent up to now is 75.4 secs Computing kpt #: 116 total cpu time spent up to now is 75.7 secs Computing kpt #: 117 total cpu time spent up to now is 75.9 secs Computing kpt #: 118 total cpu time spent up to now is 76.6 secs Computing kpt #: 119 total cpu time spent up to now is 76.9 secs Computing kpt #: 120 total cpu time spent up to now is 77.1 secs Computing kpt #: 121 total cpu time spent up to now is 77.5 secs Computing kpt #: 122 total cpu time spent up to now is 77.8 secs Computing kpt #: 123 total cpu time spent up to now is 78.1 secs Computing kpt #: 124 total cpu time spent up to now is 78.4 secs Computing kpt #: 125 total cpu time spent up to now is 78.6 secs Computing kpt #: 126 total cpu time spent up to now is 78.9 secs Computing kpt #: 127 total cpu time spent up to now is 79.4 secs Computing kpt #: 128 total cpu time spent up to now is 79.7 secs Computing kpt #: 129 total cpu time spent up to now is 80.1 secs Computing kpt #: 130 total cpu time spent up to now is 80.3 secs Computing kpt #: 131 total cpu time spent up to now is 80.6 secs Computing kpt #: 132 total cpu time spent up to now is 80.8 secs Computing kpt #: 133 total cpu time spent up to now is 81.1 secs Computing kpt #: 134 total cpu time spent up to now is 81.3 secs Computing kpt #: 135 total cpu time spent up to now is 81.6 secs Computing kpt #: 136 total cpu time spent up to now is 81.8 secs Computing kpt #: 137 total cpu time spent up to now is 82.0 secs Computing kpt #: 138 total cpu time spent up to now is 82.3 secs Computing kpt #: 139 total cpu time spent up to now is 82.5 secs Computing kpt #: 140 total cpu time spent up to now is 82.8 secs Computing kpt #: 141 total cpu time spent up to now is 83.0 secs Computing kpt #: 142 total cpu time spent up to now is 83.3 secs Computing kpt #: 143 total cpu time spent up to now is 83.5 secs Computing kpt #: 144 total cpu time spent up to now is 83.8 secs Computing kpt #: 145 total cpu time spent up to now is 84.0 secs Computing kpt #: 146 total cpu time spent up to now is 84.3 secs Computing kpt #: 147 total cpu time spent up to now is 84.5 secs Computing kpt #: 148 total cpu time spent up to now is 84.9 secs Computing kpt #: 149 total cpu time spent up to now is 85.2 secs Computing kpt #: 150 total cpu time spent up to now is 85.4 secs Computing kpt #: 151 total cpu time spent up to now is 85.7 secs Computing kpt #: 152 total cpu time spent up to now is 86.0 secs Computing kpt #: 153 total cpu time spent up to now is 86.3 secs Computing kpt #: 154 total cpu time spent up to now is 86.6 secs Computing kpt #: 155 total cpu time spent up to now is 86.9 secs Computing kpt #: 156 total cpu time spent up to now is 87.2 secs Computing kpt #: 157 total cpu time spent up to now is 87.5 secs Computing kpt #: 158 total cpu time spent up to now is 87.7 secs Computing kpt #: 159 total cpu time spent up to now is 88.0 secs Computing kpt #: 160 total cpu time spent up to now is 88.2 secs Computing kpt #: 161 total cpu time spent up to now is 88.5 secs Computing kpt #: 162 total cpu time spent up to now is 88.7 secs Computing kpt #: 163 total cpu time spent up to now is 88.9 secs Computing kpt #: 164 total cpu time spent up to now is 89.2 secs Computing kpt #: 165 total cpu time spent up to now is 89.4 secs Computing kpt #: 166 total cpu time spent up to now is 89.7 secs Computing kpt #: 167 total cpu time spent up to now is 89.9 secs Computing kpt #: 168 total cpu time spent up to now is 90.2 secs Computing kpt #: 169 total cpu time spent up to now is 90.4 secs Computing kpt #: 170 total cpu time spent up to now is 90.7 secs Computing kpt #: 171 total cpu time spent up to now is 91.0 secs Computing kpt #: 172 total cpu time spent up to now is 91.6 secs Computing kpt #: 173 total cpu time spent up to now is 92.3 secs Computing kpt #: 174 total cpu time spent up to now is 92.9 secs Computing kpt #: 175 total cpu time spent up to now is 93.6 secs Computing kpt #: 176 total cpu time spent up to now is 94.3 secs Computing kpt #: 177 total cpu time spent up to now is 94.9 secs Computing kpt #: 178 total cpu time spent up to now is 95.5 secs Computing kpt #: 179 total cpu time spent up to now is 95.9 secs Computing kpt #: 180 total cpu time spent up to now is 96.2 secs Computing kpt #: 181 total cpu time spent up to now is 96.4 secs Computing kpt #: 182 total cpu time spent up to now is 96.8 secs Computing kpt #: 183 total cpu time spent up to now is 97.2 secs Computing kpt #: 184 total cpu time spent up to now is 97.5 secs Computing kpt #: 185 total cpu time spent up to now is 97.8 secs Computing kpt #: 186 total cpu time spent up to now is 98.0 secs Computing kpt #: 187 total cpu time spent up to now is 98.4 secs Computing kpt #: 188 total cpu time spent up to now is 98.7 secs Computing kpt #: 189 total cpu time spent up to now is 99.0 secs Computing kpt #: 190 total cpu time spent up to now is 99.2 secs Computing kpt #: 191 total cpu time spent up to now is 99.5 secs Computing kpt #: 192 total cpu time spent up to now is 99.8 secs Computing kpt #: 193 total cpu time spent up to now is 100.1 secs Computing kpt #: 194 total cpu time spent up to now is 100.4 secs Computing kpt #: 195 total cpu time spent up to now is 100.8 secs Computing kpt #: 196 total cpu time spent up to now is 101.0 secs Computing kpt #: 197 total cpu time spent up to now is 101.3 secs Computing kpt #: 198 total cpu time spent up to now is 101.5 secs Computing kpt #: 199 total cpu time spent up to now is 101.8 secs Computing kpt #: 200 total cpu time spent up to now is 102.0 secs Computing kpt #: 201 total cpu time spent up to now is 102.3 secs Computing kpt #: 202 total cpu time spent up to now is 102.5 secs Computing kpt #: 203 total cpu time spent up to now is 103.0 secs Computing kpt #: 204 total cpu time spent up to now is 103.3 secs Computing kpt #: 205 total cpu time spent up to now is 103.6 secs Computing kpt #: 206 total cpu time spent up to now is 103.9 secs Computing kpt #: 207 total cpu time spent up to now is 104.3 secs Computing kpt #: 208 total cpu time spent up to now is 104.6 secs Computing kpt #: 209 total cpu time spent up to now is 105.0 secs Computing kpt #: 210 total cpu time spent up to now is 105.4 secs Computing kpt #: 211 total cpu time spent up to now is 105.8 secs Computing kpt #: 212 total cpu time spent up to now is 106.1 secs Computing kpt #: 213 total cpu time spent up to now is 106.4 secs Computing kpt #: 214 total cpu time spent up to now is 106.6 secs Computing kpt #: 215 total cpu time spent up to now is 106.9 secs Computing kpt #: 216 total cpu time spent up to now is 107.2 secs Computing kpt #: 217 total cpu time spent up to now is 107.4 secs Computing kpt #: 218 total cpu time spent up to now is 107.7 secs Computing kpt #: 219 total cpu time spent up to now is 107.9 secs Computing kpt #: 220 total cpu time spent up to now is 108.2 secs Computing kpt #: 221 total cpu time spent up to now is 108.4 secs Computing kpt #: 222 total cpu time spent up to now is 108.8 secs Computing kpt #: 223 total cpu time spent up to now is 109.1 secs Computing kpt #: 224 total cpu time spent up to now is 109.4 secs Computing kpt #: 225 total cpu time spent up to now is 110.0 secs Computing kpt #: 226 total cpu time spent up to now is 110.4 secs Computing kpt #: 227 total cpu time spent up to now is 110.7 secs Computing kpt #: 228 total cpu time spent up to now is 111.0 secs Computing kpt #: 229 total cpu time spent up to now is 111.2 secs Computing kpt #: 230 total cpu time spent up to now is 111.5 secs Computing kpt #: 231 total cpu time spent up to now is 111.7 secs Computing kpt #: 232 total cpu time spent up to now is 112.0 secs Computing kpt #: 233 total cpu time spent up to now is 112.2 secs Computing kpt #: 234 total cpu time spent up to now is 112.5 secs Computing kpt #: 235 total cpu time spent up to now is 112.8 secs Computing kpt #: 236 total cpu time spent up to now is 113.0 secs Computing kpt #: 237 total cpu time spent up to now is 113.3 secs Computing kpt #: 238 total cpu time spent up to now is 113.5 secs Computing kpt #: 239 total cpu time spent up to now is 113.8 secs Computing kpt #: 240 total cpu time spent up to now is 114.1 secs Computing kpt #: 241 total cpu time spent up to now is 114.5 secs Computing kpt #: 242 total cpu time spent up to now is 114.8 secs Computing kpt #: 243 total cpu time spent up to now is 115.5 secs Computing kpt #: 244 total cpu time spent up to now is 116.4 secs Computing kpt #: 245 total cpu time spent up to now is 117.2 secs Computing kpt #: 246 total cpu time spent up to now is 118.1 secs Computing kpt #: 247 total cpu time spent up to now is 118.8 secs Computing kpt #: 248 total cpu time spent up to now is 119.2 secs Computing kpt #: 249 total cpu time spent up to now is 119.5 secs Computing kpt #: 250 total cpu time spent up to now is 119.8 secs Computing kpt #: 251 total cpu time spent up to now is 120.0 secs Computing kpt #: 252 total cpu time spent up to now is 120.3 secs Computing kpt #: 253 total cpu time spent up to now is 120.5 secs Computing kpt #: 254 total cpu time spent up to now is 120.9 secs Computing kpt #: 255 total cpu time spent up to now is 121.1 secs Computing kpt #: 256 total cpu time spent up to now is 121.4 secs Computing kpt #: 257 total cpu time spent up to now is 121.7 secs Computing kpt #: 258 total cpu time spent up to now is 122.0 secs Computing kpt #: 259 total cpu time spent up to now is 122.2 secs Computing kpt #: 260 total cpu time spent up to now is 122.5 secs Computing kpt #: 261 total cpu time spent up to now is 122.8 secs Computing kpt #: 262 total cpu time spent up to now is 123.2 secs Computing kpt #: 263 total cpu time spent up to now is 123.5 secs Computing kpt #: 264 total cpu time spent up to now is 123.8 secs Computing kpt #: 265 total cpu time spent up to now is 124.2 secs Computing kpt #: 266 total cpu time spent up to now is 124.4 secs Computing kpt #: 267 total cpu time spent up to now is 124.7 secs Computing kpt #: 268 total cpu time spent up to now is 125.0 secs Computing kpt #: 269 total cpu time spent up to now is 125.2 secs Computing kpt #: 270 total cpu time spent up to now is 125.5 secs Computing kpt #: 271 total cpu time spent up to now is 125.7 secs Computing kpt #: 272 total cpu time spent up to now is 126.0 secs Computing kpt #: 273 total cpu time spent up to now is 126.2 secs Computing kpt #: 274 total cpu time spent up to now is 126.5 secs Computing kpt #: 275 total cpu time spent up to now is 126.7 secs Computing kpt #: 276 total cpu time spent up to now is 127.1 secs Computing kpt #: 277 total cpu time spent up to now is 127.4 secs Computing kpt #: 278 total cpu time spent up to now is 127.7 secs Computing kpt #: 279 total cpu time spent up to now is 128.0 secs Computing kpt #: 280 total cpu time spent up to now is 128.4 secs Computing kpt #: 281 total cpu time spent up to now is 128.8 secs Computing kpt #: 282 total cpu time spent up to now is 129.1 secs Computing kpt #: 283 total cpu time spent up to now is 129.4 secs Computing kpt #: 284 total cpu time spent up to now is 129.7 secs Computing kpt #: 285 total cpu time spent up to now is 130.1 secs Computing kpt #: 286 total cpu time spent up to now is 130.3 secs Computing kpt #: 287 total cpu time spent up to now is 130.6 secs Computing kpt #: 288 total cpu time spent up to now is 130.8 secs Computing kpt #: 289 total cpu time spent up to now is 131.1 secs Computing kpt #: 290 total cpu time spent up to now is 131.3 secs Computing kpt #: 291 total cpu time spent up to now is 131.6 secs Computing kpt #: 292 total cpu time spent up to now is 131.8 secs Computing kpt #: 293 total cpu time spent up to now is 132.1 secs Computing kpt #: 294 total cpu time spent up to now is 132.3 secs Computing kpt #: 295 total cpu time spent up to now is 132.6 secs Computing kpt #: 296 total cpu time spent up to now is 132.9 secs Computing kpt #: 297 total cpu time spent up to now is 133.2 secs Computing kpt #: 298 total cpu time spent up to now is 133.5 secs Computing kpt #: 299 total cpu time spent up to now is 133.8 secs Computing kpt #: 300 total cpu time spent up to now is 134.0 secs Computing kpt #: 301 total cpu time spent up to now is 134.3 secs Computing kpt #: 302 total cpu time spent up to now is 134.6 secs Computing kpt #: 303 total cpu time spent up to now is 135.1 secs Computing kpt #: 304 total cpu time spent up to now is 135.5 secs Computing kpt #: 305 total cpu time spent up to now is 135.8 secs Computing kpt #: 306 total cpu time spent up to now is 136.0 secs Computing kpt #: 307 total cpu time spent up to now is 136.3 secs Computing kpt #: 308 total cpu time spent up to now is 136.6 secs Computing kpt #: 309 total cpu time spent up to now is 136.8 secs Computing kpt #: 310 total cpu time spent up to now is 137.1 secs Computing kpt #: 311 total cpu time spent up to now is 137.3 secs Computing kpt #: 312 total cpu time spent up to now is 137.6 secs Computing kpt #: 313 total cpu time spent up to now is 137.8 secs Computing kpt #: 314 total cpu time spent up to now is 138.1 secs Computing kpt #: 315 total cpu time spent up to now is 138.3 secs Computing kpt #: 316 total cpu time spent up to now is 138.9 secs Computing kpt #: 317 total cpu time spent up to now is 139.6 secs Computing kpt #: 318 total cpu time spent up to now is 140.4 secs Computing kpt #: 319 total cpu time spent up to now is 141.0 secs Computing kpt #: 320 total cpu time spent up to now is 141.6 secs Computing kpt #: 321 total cpu time spent up to now is 142.2 secs Computing kpt #: 322 total cpu time spent up to now is 142.9 secs Computing kpt #: 323 total cpu time spent up to now is 143.3 secs Computing kpt #: 324 total cpu time spent up to now is 143.5 secs Computing kpt #: 325 total cpu time spent up to now is 143.8 secs Computing kpt #: 326 total cpu time spent up to now is 144.0 secs Computing kpt #: 327 total cpu time spent up to now is 144.3 secs Computing kpt #: 328 total cpu time spent up to now is 144.5 secs Computing kpt #: 329 total cpu time spent up to now is 144.8 secs Computing kpt #: 330 total cpu time spent up to now is 145.2 secs Computing kpt #: 331 total cpu time spent up to now is 145.6 secs Computing kpt #: 332 total cpu time spent up to now is 145.9 secs Computing kpt #: 333 total cpu time spent up to now is 146.3 secs Computing kpt #: 334 total cpu time spent up to now is 146.6 secs Computing kpt #: 335 total cpu time spent up to now is 146.9 secs Computing kpt #: 336 total cpu time spent up to now is 147.1 secs Computing kpt #: 337 total cpu time spent up to now is 147.4 secs Computing kpt #: 338 total cpu time spent up to now is 147.7 secs Computing kpt #: 339 total cpu time spent up to now is 147.9 secs Computing kpt #: 340 total cpu time spent up to now is 148.3 secs Computing kpt #: 341 total cpu time spent up to now is 148.6 secs Computing kpt #: 342 total cpu time spent up to now is 148.8 secs Computing kpt #: 343 total cpu time spent up to now is 149.1 secs Computing kpt #: 344 total cpu time spent up to now is 149.5 secs Computing kpt #: 345 total cpu time spent up to now is 149.8 secs Computing kpt #: 346 total cpu time spent up to now is 150.3 secs Computing kpt #: 347 total cpu time spent up to now is 150.7 secs Computing kpt #: 348 total cpu time spent up to now is 151.1 secs Computing kpt #: 349 total cpu time spent up to now is 151.5 secs Computing kpt #: 350 total cpu time spent up to now is 151.9 secs Computing kpt #: 351 total cpu time spent up to now is 152.3 secs Computing kpt #: 352 total cpu time spent up to now is 152.8 secs Computing kpt #: 353 total cpu time spent up to now is 153.2 secs Computing kpt #: 354 total cpu time spent up to now is 153.6 secs Computing kpt #: 355 total cpu time spent up to now is 154.0 secs Computing kpt #: 356 total cpu time spent up to now is 154.4 secs Computing kpt #: 357 total cpu time spent up to now is 154.7 secs Computing kpt #: 358 total cpu time spent up to now is 155.1 secs Computing kpt #: 359 total cpu time spent up to now is 155.4 secs Computing kpt #: 360 total cpu time spent up to now is 155.8 secs Computing kpt #: 361 total cpu time spent up to now is 156.0 secs Computing kpt #: 362 total cpu time spent up to now is 156.3 secs Computing kpt #: 363 total cpu time spent up to now is 156.6 secs ethr = 5.56E-11, avg # of iterations = 14.5 total cpu time spent up to now is 156.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1989 PWs) bands (ev): -11.0774 -11.0774 0.8387 0.8387 1.1802 1.1802 1.1802 1.1802 3.7428 3.7428 3.7428 3.7428 5.0838 5.0838 5.1342 5.1342 5.1342 5.1342 5.4439 5.4439 11.0935 11.0935 11.2131 11.2131 11.2131 11.2131 k = 0.0093-0.0053 0.0076 ( 1989 PWs) bands (ev): -11.0770 -11.0770 0.8378 0.8378 1.1785 1.1785 1.1801 1.1801 3.7408 3.7408 3.7446 3.7446 5.0807 5.0807 5.1263 5.1263 5.1335 5.1335 5.4570 5.4570 11.0935 11.0935 11.2107 11.2107 11.2155 11.2155 k = 0.0185-0.0107 0.0151 ( 1989 PWs) bands (ev): -11.0760 -11.0760 0.8353 0.8353 1.1739 1.1739 1.1798 1.1798 3.7386 3.7386 3.7463 3.7463 5.0692 5.0692 5.1098 5.1098 5.1300 5.1300 5.4924 5.4924 11.0923 11.0923 11.2049 11.2049 11.2225 11.2225 k = 0.0278-0.0160 0.0227 ( 1985 PWs) bands (ev): -11.0742 -11.0742 0.8308 0.8308 1.1664 1.1664 1.1791 1.1791 3.7363 3.7363 3.7479 3.7479 5.0454 5.0454 5.0950 5.0950 5.1243 5.1243 5.5434 5.5434 11.0856 11.0856 11.2002 11.2002 11.2343 11.2343 k = 0.0370-0.0214 0.0302 ( 1977 PWs) bands (ev): -11.0717 -11.0717 0.8245 0.8245 1.1561 1.1561 1.1783 1.1783 3.7338 3.7338 3.7495 3.7495 5.0127 5.0127 5.0834 5.0834 5.1164 5.1164 5.6049 5.6049 11.0681 11.0681 11.2025 11.2025 11.2507 11.2507 k = 0.0463-0.0267 0.0378 ( 1985 PWs) bands (ev): -11.0685 -11.0685 0.8160 0.8160 1.1436 1.1436 1.1771 1.1771 3.7308 3.7308 3.7511 3.7511 4.9769 4.9769 5.0718 5.0718 5.1062 5.1062 5.6739 5.6739 11.0372 11.0372 11.2147 11.2147 11.2717 11.2717 k = 0.0556-0.0321 0.0454 ( 1985 PWs) bands (ev): -11.0646 -11.0646 0.8052 0.8052 1.1292 1.1292 1.1757 1.1757 3.7277 3.7277 3.7527 3.7527 4.9408 4.9408 5.0589 5.0589 5.0939 5.0939 5.7488 5.7488 10.9949 10.9949 11.2359 11.2359 11.2972 11.2972 k = 0.0648-0.0374 0.0529 ( 1985 PWs) bands (ev): -11.0600 -11.0600 0.7918 0.7918 1.1133 1.1133 1.1741 1.1741 3.7242 3.7242 3.7543 3.7543 4.9055 4.9055 5.0445 5.0445 5.0797 5.0797 5.8286 5.8286 10.9436 10.9436 11.2641 11.2641 11.3272 11.3272 k = 0.0741-0.0428 0.0605 ( 1985 PWs) bands (ev): -11.0547 -11.0547 0.7755 0.7755 1.0967 1.0967 1.1723 1.1723 3.7204 3.7204 3.7560 3.7560 4.8716 4.8716 5.0284 5.0284 5.0636 5.0636 5.9127 5.9127 10.8853 10.8853 11.2984 11.2984 11.3616 11.3616 k = 0.0833-0.0481 0.0680 ( 1985 PWs) bands (ev): -11.0488 -11.0488 0.7561 0.7561 1.0797 1.0797 1.1702 1.1702 3.7163 3.7163 3.7578 3.7578 4.8391 4.8391 5.0105 5.0105 5.0457 5.0457 6.0006 6.0006 10.8212 10.8212 11.3379 11.3379 11.4003 11.4003 k = 0.0926-0.0535 0.0756 ( 2001 PWs) bands (ev): -11.0423 -11.0423 0.7333 0.7333 1.0628 1.0628 1.1679 1.1679 3.7119 3.7119 3.7596 3.7596 4.8080 4.8080 4.9909 4.9909 5.0262 5.0262 6.0919 6.0919 10.7523 10.7523 11.3823 11.3823 11.4431 11.4431 k = 0.1019-0.0588 0.0832 ( 2001 PWs) bands (ev): -11.0351 -11.0351 0.7071 0.7071 1.0466 1.0466 1.1654 1.1654 3.7072 3.7072 3.7615 3.7615 4.7784 4.7784 4.9698 4.9698 5.0052 5.0052 6.1861 6.1861 10.6800 10.6800 11.4314 11.4314 11.4902 11.4902 k = 0.1111-0.0642 0.0907 ( 1997 PWs) bands (ev): -11.0274 -11.0274 0.6775 0.6775 1.0312 1.0312 1.1627 1.1627 3.7023 3.7023 3.7636 3.7636 4.7502 4.7502 4.9472 4.9472 4.9829 4.9829 6.2831 6.2831 10.6047 10.6047 11.4849 11.4849 11.5413 11.5413 k = 0.1204-0.0695 0.0983 ( 1997 PWs) bands (ev): -11.0191 -11.0191 0.6447 0.6447 1.0168 1.0168 1.1598 1.1598 3.6970 3.6970 3.7658 3.7658 4.7231 4.7231 4.9232 4.9232 4.9594 4.9594 6.3824 6.3824 10.5272 10.5272 11.5426 11.5426 11.5963 11.5963 k = 0.1296-0.0748 0.1058 ( 1997 PWs) bands (ev): -11.0102 -11.0102 0.6090 0.6090 1.0034 1.0034 1.1568 1.1568 3.6916 3.6916 3.7680 3.7680 4.6971 4.6971 4.8980 4.8980 4.9348 4.9348 6.4837 6.4837 10.4481 10.4481 11.6043 11.6043 11.6551 11.6551 k = 0.1389-0.0802 0.1134 ( 1997 PWs) bands (ev): -11.0008 -11.0008 0.5706 0.5706 0.9910 0.9910 1.1535 1.1535 3.6859 3.6859 3.7704 3.7704 4.6719 4.6719 4.8717 4.8717 4.9092 4.9092 6.5866 6.5866 10.3680 10.3680 11.6698 11.6698 11.7175 11.7175 k = 0.1481-0.0855 0.1210 ( 1985 PWs) bands (ev): -10.9909 -10.9909 0.5299 0.5299 0.9796 0.9796 1.1501 1.1501 3.6801 3.6801 3.7731 3.7731 4.6475 4.6475 4.8445 4.8445 4.8830 4.8830 6.6908 6.6908 10.2873 10.2873 11.7391 11.7391 11.7836 11.7836 k = 0.1574-0.0909 0.1285 ( 1985 PWs) bands (ev): -10.9805 -10.9805 0.4874 0.4874 0.9689 0.9689 1.1466 1.1466 3.6740 3.6740 3.7757 3.7757 4.6237 4.6237 4.8164 4.8164 4.8559 4.8559 6.7960 6.7960 10.2064 10.2064 11.8118 11.8118 11.8532 11.8532 k = 0.1667-0.0962 0.1361 ( 1993 PWs) bands (ev): -10.9697 -10.9697 0.4434 0.4434 0.9588 0.9588 1.1429 1.1429 3.6678 3.6678 3.7783 3.7783 4.6002 4.6002 4.7877 4.7877 4.8284 4.8284 6.9016 6.9016 10.1257 10.1257 11.8880 11.8880 11.9260 11.9260 k = 0.1759-0.1016 0.1436 ( 1993 PWs) bands (ev): -10.9585 -10.9585 0.3982 0.3982 0.9494 0.9494 1.1391 1.1391 3.6615 3.6615 3.7810 3.7810 4.5770 4.5770 4.7584 4.7584 4.8004 4.8004 7.0073 7.0073 10.0456 10.0456 11.9674 11.9674 12.0022 12.0022 k = 0.1852-0.1069 0.1512 ( 1993 PWs) bands (ev): -10.9469 -10.9469 0.3522 0.3522 0.9404 0.9404 1.1352 1.1352 3.6552 3.6552 3.7838 3.7838 4.5539 4.5539 4.7288 4.7288 4.7720 4.7720 7.1126 7.1126 9.9663 9.9663 12.0499 12.0499 12.0815 12.0815 k = 0.1944-0.1123 0.1588 ( 1992 PWs) bands (ev): -10.9350 -10.9350 0.3057 0.3057 0.9318 0.9318 1.1312 1.1312 3.6488 3.6488 3.7867 3.7867 4.5309 4.5309 4.6990 4.6990 4.7435 4.7435 7.2172 7.2172 9.8883 9.8883 12.1354 12.1354 12.1638 12.1638 k = 0.2037-0.1176 0.1663 ( 1992 PWs) bands (ev): -10.9228 -10.9228 0.2589 0.2589 0.9235 0.9235 1.1272 1.1272 3.6424 3.6424 3.7896 3.7896 4.5077 4.5077 4.6691 4.6691 4.7148 4.7148 7.3204 7.3204 9.8116 9.8116 12.2236 12.2236 12.2491 12.2491 k = 0.2130-0.1230 0.1739 ( 1992 PWs) bands (ev): -10.9104 -10.9104 0.2120 0.2120 0.9155 0.9155 1.1230 1.1230 3.6361 3.6361 3.7926 3.7926 4.4844 4.4844 4.6393 4.6393 4.6862 4.6862 7.4219 7.4219 9.7366 9.7366 12.3145 12.3145 12.3373 12.3373 k = 0.2222-0.1283 0.1814 ( 1988 PWs) bands (ev): -10.8977 -10.8977 0.1654 0.1654 0.9078 0.9078 1.1188 1.1188 3.6298 3.6298 3.7956 3.7956 4.4608 4.4608 4.6097 4.6097 4.6577 4.6577 7.5210 7.5210 9.6635 9.6635 12.4078 12.4078 12.4283 12.4283 k = 0.2315-0.1336 0.1890 ( 1996 PWs) bands (ev): -10.8848 -10.8848 0.1190 0.1190 0.9003 0.9003 1.1146 1.1146 3.6236 3.6236 3.7985 3.7985 4.4368 4.4368 4.5804 4.5804 4.6293 4.6293 7.6172 7.6172 9.5925 9.5925 12.5032 12.5032 12.5220 12.5220 k = 0.2407-0.1390 0.1966 ( 1996 PWs) bands (ev): -10.8719 -10.8719 0.0733 0.0733 0.8930 0.8930 1.1104 1.1104 3.6177 3.6177 3.8015 3.8015 4.4125 4.4125 4.5514 4.5514 4.6012 4.6012 7.7099 7.7099 9.5238 9.5238 12.6006 12.6006 12.6183 12.6183 k = 0.2500-0.1443 0.2041 ( 1996 PWs) bands (ev): -10.8588 -10.8588 0.0282 0.0282 0.8858 0.8858 1.1061 1.1061 3.6119 3.6119 3.8045 3.8045 4.3878 4.3878 4.5230 4.5230 4.5734 4.5734 7.7986 7.7986 9.4577 9.4577 12.6991 12.6991 12.7167 12.7167 k = 0.2593-0.1497 0.2117 ( 1996 PWs) bands (ev): -10.8457 -10.8457 -0.0161 -0.0161 0.8789 0.8789 1.1018 1.1018 3.6064 3.6064 3.8073 3.8073 4.3627 4.3627 4.4950 4.4950 4.5462 4.5462 7.8827 7.8827 9.3943 9.3943 12.7928 12.7928 12.8146 12.8146 k = 0.2685-0.1550 0.2192 ( 1996 PWs) bands (ev): -10.8325 -10.8325 -0.0594 -0.0594 0.8721 0.8721 1.0976 1.0976 3.6012 3.6012 3.8102 3.8102 4.3373 4.3373 4.4677 4.4677 4.5194 4.5194 7.9615 7.9615 9.3339 9.3339 12.8074 12.8074 12.9103 12.9103 k = 0.2778-0.1604 0.2268 ( 2000 PWs) bands (ev): -10.8195 -10.8195 -0.1016 -0.1016 0.8655 0.8655 1.0934 1.0934 3.5963 3.5963 3.8129 3.8129 4.3117 4.3117 4.4409 4.4409 4.4931 4.4931 8.0346 8.0346 9.2768 9.2768 12.7793 12.7793 13.0133 13.0133 k = 0.2870-0.1657 0.2344 ( 2000 PWs) bands (ev): -10.8065 -10.8065 -0.1427 -0.1427 0.8591 0.8591 1.0893 1.0893 3.5919 3.5919 3.8155 3.8155 4.2859 4.2859 4.4147 4.4147 4.4675 4.4675 8.1014 8.1014 9.2232 9.2232 12.7575 12.7575 13.1192 13.1192 k = 0.2963-0.1711 0.2419 ( 1992 PWs) bands (ev): -10.7936 -10.7936 -0.1826 -0.1826 0.8528 0.8528 1.0852 1.0852 3.5878 3.5878 3.8181 3.8181 4.2601 4.2601 4.3891 4.3891 4.4427 4.4427 8.1614 8.1614 9.1733 9.1733 12.7452 12.7452 13.2270 13.2270 k = 0.3056-0.1764 0.2495 ( 1992 PWs) bands (ev): -10.7809 -10.7809 -0.2210 -0.2210 0.8468 0.8468 1.0812 1.0812 3.5842 3.5842 3.8205 3.8205 4.2343 4.2343 4.3642 4.3642 4.4185 4.4185 8.2142 8.2142 9.1275 9.1275 12.7426 12.7426 13.3363 13.3363 k = 0.3148-0.1818 0.2570 ( 1988 PWs) bands (ev): -10.7685 -10.7685 -0.2581 -0.2581 0.8409 0.8409 1.0773 1.0773 3.5812 3.5812 3.8227 3.8227 4.2087 4.2087 4.3399 4.3399 4.3952 4.3952 8.2595 8.2595 9.0860 9.0860 12.7499 12.7499 13.4469 13.4469 k = 0.3241-0.1871 0.2646 ( 1980 PWs) bands (ev): -10.7563 -10.7563 -0.2937 -0.2937 0.8353 0.8353 1.0735 1.0735 3.5787 3.5787 3.8246 3.8246 4.1834 4.1834 4.3163 4.3163 4.3727 4.3727 8.2970 8.2970 9.0491 9.0491 12.7667 12.7667 13.5588 13.5588 k = 0.3333-0.1925 0.2722 ( 1980 PWs) bands (ev): -10.7444 -10.7444 -0.3278 -0.3278 0.8298 0.8298 1.0698 1.0698 3.5767 3.5767 3.8263 3.8263 4.1585 4.1585 4.2933 4.2933 4.3511 4.3511 8.3268 8.3268 9.0168 9.0168 12.7925 12.7925 13.6715 13.6715 k = 0.3426-0.1978 0.2797 ( 1980 PWs) bands (ev): -10.7329 -10.7329 -0.3602 -0.3602 0.8246 0.8246 1.0662 1.0662 3.5754 3.5754 3.8277 3.8277 4.1340 4.1340 4.2710 4.2710 4.3303 4.3303 8.3489 8.3489 8.9892 8.9892 12.8267 12.8267 13.7849 13.7849 k = 0.3519-0.2031 0.2873 ( 1980 PWs) bands (ev): -10.7218 -10.7218 -0.3911 -0.3911 0.8196 0.8196 1.0628 1.0628 3.5747 3.5747 3.8288 3.8288 4.1102 4.1102 4.2496 4.2496 4.3106 4.3106 8.3640 8.3640 8.9661 8.9661 12.8685 12.8685 13.8986 13.8986 k = 0.3611-0.2085 0.2948 ( 1996 PWs) bands (ev): -10.7111 -10.7111 -0.4202 -0.4202 0.8148 0.8148 1.0595 1.0595 3.5745 3.5745 3.8294 3.8294 4.0869 4.0869 4.2289 4.2289 4.2918 4.2918 8.3725 8.3725 8.9472 8.9472 12.9171 12.9171 14.0124 14.0124 k = 0.3704-0.2138 0.3024 ( 1996 PWs) bands (ev): -10.7009 -10.7009 -0.4476 -0.4476 0.8103 0.8103 1.0563 1.0563 3.5752 3.5752 3.8295 3.8295 4.0646 4.0646 4.2091 4.2091 4.2741 4.2741 8.3755 8.3755 8.9321 8.9321 12.9715 12.9715 14.1260 14.1260 k = 0.3796-0.2192 0.3100 ( 1988 PWs) bands (ev): -10.6912 -10.6912 -0.4733 -0.4733 0.8061 0.8061 1.0534 1.0534 3.5765 3.5765 3.8291 3.8291 4.0433 4.0433 4.1905 4.1905 4.2576 4.2576 8.3740 8.3740 8.9200 8.9200 13.0306 13.0306 14.2388 14.2388 k = 0.3889-0.2245 0.3175 ( 1996 PWs) bands (ev): -10.6821 -10.6821 -0.4971 -0.4971 0.8022 0.8022 1.0506 1.0506 3.5785 3.5785 3.8279 3.8279 4.0231 4.0231 4.1727 4.1727 4.2422 4.2422 8.3691 8.3691 8.9104 8.9104 13.0932 13.0932 14.3503 14.3503 k = 0.3981-0.2299 0.3251 ( 1996 PWs) bands (ev): -10.6735 -10.6735 -0.5192 -0.5192 0.7985 0.7985 1.0480 1.0480 3.5813 3.5813 3.8260 3.8260 4.0043 4.0043 4.1561 4.1561 4.2279 4.2279 8.3616 8.3616 8.9026 8.9026 13.1582 13.1582 14.4599 14.4599 k = 0.4074-0.2352 0.3326 ( 1996 PWs) bands (ev): -10.6656 -10.6656 -0.5393 -0.5393 0.7951 0.7951 1.0456 1.0456 3.5847 3.5847 3.8231 3.8231 3.9870 3.9870 4.1408 4.1408 4.2149 4.2149 8.3527 8.3527 8.8962 8.8962 13.2241 13.2241 14.5667 14.5667 k = 0.4167-0.2406 0.3402 ( 1992 PWs) bands (ev): -10.6583 -10.6583 -0.5577 -0.5577 0.7920 0.7920 1.0434 1.0434 3.5888 3.5888 3.8192 3.8192 3.9716 3.9716 4.1267 4.1267 4.2031 4.2031 8.3430 8.3430 8.8909 8.8909 13.2897 13.2897 14.6701 14.6701 k = 0.4259-0.2459 0.3478 ( 2004 PWs) bands (ev): -10.6518 -10.6518 -0.5741 -0.5741 0.7892 0.7892 1.0415 1.0415 3.5934 3.5934 3.8140 3.8140 3.9581 3.9581 4.1138 4.1138 4.1924 4.1924 8.3330 8.3330 8.8863 8.8863 13.3535 13.3535 14.7687 14.7687 k = 0.4352-0.2513 0.3553 ( 2004 PWs) bands (ev): -10.6459 -10.6459 -0.5887 -0.5887 0.7867 0.7867 1.0397 1.0397 3.5985 3.5985 3.8078 3.8078 3.9467 3.9467 4.1023 4.1023 4.1831 4.1831 8.3234 8.3234 8.8823 8.8823 13.4142 13.4142 14.8615 14.8615 k = 0.4444-0.2566 0.3629 ( 2004 PWs) bands (ev): -10.6408 -10.6408 -0.6013 -0.6013 0.7846 0.7846 1.0382 1.0382 3.6039 3.6039 3.8007 3.8007 3.9374 3.9374 4.0923 4.0923 4.1750 4.1750 8.3145 8.3145 8.8789 8.8789 13.4704 13.4704 14.9470 14.9470 k = 0.4537-0.2619 0.3704 ( 2004 PWs) bands (ev): -10.6364 -10.6364 -0.6120 -0.6120 0.7827 0.7827 1.0369 1.0369 3.6095 3.6095 3.7931 3.7931 3.9301 3.9301 4.0838 4.0838 4.1682 4.1682 8.3065 8.3065 8.8760 8.8760 13.5207 13.5207 15.0237 15.0237 k = 0.4630-0.2673 0.3780 ( 2004 PWs) bands (ev): -10.6328 -10.6328 -0.6208 -0.6208 0.7812 0.7812 1.0358 1.0358 3.6149 3.6149 3.7855 3.7855 3.9246 3.9246 4.0767 4.0767 4.1626 4.1626 8.2998 8.2998 8.8736 8.8736 13.5639 13.5639 15.0898 15.0898 k = 0.4722-0.2726 0.3856 ( 2004 PWs) bands (ev): -10.6300 -10.6300 -0.6276 -0.6276 0.7800 0.7800 1.0349 1.0349 3.6198 3.6198 3.7785 3.7785 3.9206 3.9206 4.0712 4.0712 4.1582 4.1582 8.2944 8.2944 8.8717 8.8717 13.5988 13.5988 15.1436 15.1436 k = 0.4815-0.2780 0.3931 ( 1996 PWs) bands (ev): -10.6279 -10.6279 -0.6325 -0.6325 0.7792 0.7792 1.0343 1.0343 3.6239 3.6239 3.7728 3.7728 3.9179 3.9179 4.0673 4.0673 4.1552 4.1552 8.2905 8.2905 8.8703 8.8703 13.6245 13.6245 15.1834 15.1834 k = 0.4907-0.2833 0.4007 ( 1996 PWs) bands (ev): -10.6267 -10.6267 -0.6354 -0.6354 0.7787 0.7787 1.0340 1.0340 3.6265 3.6265 3.7692 3.7692 3.9163 3.9163 4.0650 4.0650 4.1533 4.1533 8.2881 8.2881 8.8695 8.8695 13.6402 13.6402 15.2080 15.2080 k = 0.5000-0.2887 0.4082 ( 2012 PWs) bands (ev): -10.6263 -10.6263 -0.6364 -0.6364 0.7785 0.7785 1.0338 1.0338 3.6274 3.6274 3.7678 3.7678 3.9157 3.9157 4.0641 4.0641 4.1525 4.1525 8.2873 8.2873 8.8692 8.8692 13.6455 13.6455 15.2162 15.2162 k = 0.5000-0.2887 0.4082 ( 2012 PWs) bands (ev): -10.6263 -10.6263 -0.6364 -0.6364 0.7785 0.7785 1.0338 1.0338 3.6274 3.6274 3.7678 3.7678 3.9157 3.9157 4.0641 4.0641 4.1525 4.1525 8.2873 8.2873 8.8692 8.8692 13.6455 13.6455 15.2162 15.2162 k = 0.5000-0.2780 0.4158 ( 1998 PWs) bands (ev): -10.6264 -10.6262 -0.6375 -0.6336 0.7754 0.7799 1.0328 1.0330 3.6260 3.6283 3.7571 3.7790 3.9123 3.9189 4.0535 4.0736 4.1522 4.1551 8.2903 8.2917 8.8683 8.8748 13.6410 13.6431 15.2030 15.2116 k = 0.5000-0.2673 0.4234 ( 1994 PWs) bands (ev): -10.6264 -10.6262 -0.6369 -0.6290 0.7705 0.7795 1.0298 1.0301 3.6241 3.6284 3.7470 3.7901 3.9085 3.9215 4.0425 4.0809 4.1532 4.1601 8.3007 8.3034 8.8720 8.8851 13.6297 13.6337 15.1690 15.1737 k = 0.5000-0.2566 0.4309 ( 1994 PWs) bands (ev): -10.6264 -10.6261 -0.6345 -0.6227 0.7636 0.7774 1.0251 1.0254 3.6217 3.6276 3.7378 3.8009 3.9045 3.9235 4.0320 4.0857 4.1551 4.1681 8.3184 8.3223 8.8803 8.9000 13.6118 13.6175 15.1000 15.1048 k = 0.5000-0.2459 0.4385 ( 1994 PWs) bands (ev): -10.6265 -10.6260 -0.6305 -0.6146 0.7548 0.7735 1.0187 1.0189 3.6191 3.6257 3.7299 3.8111 3.9001 3.9247 4.0224 4.0880 4.1578 4.1787 8.3433 8.3485 8.8931 8.9194 13.5876 13.5944 14.9991 15.0117 k = 0.5000-0.2352 0.4460 ( 1994 PWs) bands (ev): -10.6265 -10.6258 -0.6248 -0.6047 0.7439 0.7678 1.0108 1.0109 3.6162 3.6227 3.7234 3.8203 3.8954 3.9248 4.0145 4.0884 4.1611 4.1914 8.3753 8.3817 8.9103 8.9433 13.5574 13.5648 14.8771 14.8957 k = 0.5000-0.2245 0.4536 ( 1994 PWs) bands (ev): -10.6265 -10.6257 -0.6175 -0.5931 0.7308 0.7602 1.0015 1.0019 3.6132 3.6185 3.7185 3.8284 3.8905 3.9237 4.0085 4.0874 4.1650 4.2054 8.4143 8.4219 8.9318 8.9714 13.5216 13.5290 14.7386 14.7617 k = 0.5000-0.2138 0.4612 ( 1994 PWs) bands (ev): -10.6265 -10.6256 -0.6087 -0.5798 0.7154 0.7506 0.9910 0.9921 3.6101 3.6134 3.7150 3.8350 3.8854 3.9214 4.0047 4.0856 4.1694 4.2202 8.4602 8.4689 8.9573 9.0036 13.4806 13.4872 14.5871 14.6139 k = 0.5000-0.2031 0.4687 ( 1998 PWs) bands (ev): -10.6264 -10.6254 -0.5983 -0.5647 0.6976 0.7391 0.9799 0.9816 3.6069 3.6074 3.7129 3.8399 3.8800 3.9184 4.0028 4.0832 4.1744 4.2352 8.5127 8.5225 8.9868 9.0398 13.4348 13.4401 14.4258 14.4557 k = 0.5000-0.1925 0.4763 ( 2002 PWs) bands (ev): -10.6264 -10.6253 -0.5865 -0.5480 0.6772 0.7254 0.9683 0.9709 3.6008 3.6035 3.7119 3.8430 3.8743 3.9151 4.0025 4.0804 4.1800 4.2504 8.5716 8.5824 9.0198 9.0796 13.3849 13.3879 14.2572 14.2897 k = 0.5000-0.1818 0.4838 ( 1998 PWs) bands (ev): -10.6264 -10.6252 -0.5733 -0.5295 0.6544 0.7095 0.9565 0.9601 3.5941 3.6003 3.7119 3.8440 3.8685 3.9124 4.0032 4.0776 4.1862 4.2654 8.6367 8.6485 9.0562 9.1228 13.3312 13.3313 14.0833 14.1181 k = 0.5000-0.1711 0.4914 ( 1998 PWs) bands (ev): -10.6263 -10.6250 -0.5588 -0.5094 0.6292 0.6916 0.9450 0.9494 3.5872 3.5970 3.7126 3.8431 3.8624 3.9104 4.0045 4.0747 4.1929 4.2800 8.7076 8.7204 9.0956 9.1690 13.2708 13.2743 13.9060 13.9429 k = 0.5000-0.1604 0.4990 ( 2000 PWs) bands (ev): -10.6263 -10.6248 -0.5431 -0.4877 0.6016 0.6716 0.9338 0.9390 3.5805 3.5938 3.7138 3.8404 3.8562 3.9093 4.0060 4.0719 4.2000 4.2942 8.7840 8.7979 9.1377 9.2178 13.2070 13.2149 13.7265 13.7656 k = 0.5000-0.1497 0.5065 ( 1996 PWs) bands (ev): -10.6262 -10.6247 -0.5264 -0.4644 0.5717 0.6498 0.9231 0.9291 3.5740 3.5906 3.7154 3.8366 3.8498 3.9089 4.0076 4.0692 4.2075 4.3078 8.8656 8.8805 9.1821 9.2688 13.1403 13.1534 13.5464 13.5878 k = 0.5000-0.1390 0.5141 ( 1988 PWs) bands (ev): -10.6261 -10.6245 -0.5087 -0.4396 0.5398 0.6264 0.9131 0.9196 3.5679 3.5876 3.7175 3.8320 3.8435 3.9091 4.0090 4.0667 4.2152 4.3207 8.9517 8.9679 9.2286 9.3216 13.0711 13.0903 13.3668 13.4108 k = 0.5000-0.1283 0.5217 ( 1988 PWs) bands (ev): -10.6261 -10.6244 -0.4902 -0.4133 0.5061 0.6016 0.9039 0.9108 3.5622 3.5847 3.7198 3.8270 3.8370 3.9097 4.0101 4.0642 4.2229 4.3329 9.0416 9.0596 9.2767 9.3755 12.9989 13.0253 13.1897 13.2370 k = 0.5000-0.1176 0.5292 ( 1988 PWs) bands (ev): -10.6260 -10.6242 -0.4711 -0.3856 0.4708 0.5759 0.8953 0.9026 3.5569 3.5819 3.7224 3.8218 3.8305 3.9104 4.0110 4.0620 4.2305 4.3443 9.1343 9.1551 9.3266 9.4299 12.9208 12.9523 13.0229 13.0710 k = 0.5000-0.1069 0.5368 ( 1980 PWs) bands (ev): -10.6259 -10.6241 -0.4516 -0.3566 0.4341 0.5497 0.8876 0.8950 3.5520 3.5793 3.7253 3.8169 3.8240 3.9112 4.0117 4.0599 4.2380 4.3549 9.2280 9.2538 9.3787 9.4843 12.8217 12.8221 12.9175 12.9300 k = 0.5000-0.0962 0.5443 ( 1980 PWs) bands (ev): -10.6259 -10.6240 -0.4320 -0.3263 0.3964 0.5234 0.8805 0.8881 3.5476 3.5769 3.7283 3.8121 3.8176 3.9119 4.0122 4.0581 4.2451 4.3645 9.3186 9.3547 9.4356 9.5377 12.6576 12.6835 12.8339 12.8524 k = 0.5000-0.0855 0.5519 ( 1978 PWs) bands (ev): -10.6258 -10.6239 -0.4126 -0.2949 0.3579 0.4975 0.8743 0.8819 3.5437 3.5747 3.7316 3.8077 3.8112 3.9127 4.0124 4.0564 4.2517 4.3731 9.3983 9.4568 9.5032 9.5893 12.4943 12.5299 12.7614 12.7940 k = 0.5000-0.0748 0.5595 ( 1978 PWs) bands (ev): -10.6258 -10.6237 -0.3938 -0.2626 0.3189 0.4725 0.8688 0.8763 3.5402 3.5727 3.7350 3.8038 3.8050 3.9133 4.0125 4.0550 4.2577 4.3808 9.4606 9.5590 9.5861 9.6383 12.3368 12.3776 12.6981 12.7403 k = 0.5000-0.0642 0.5670 ( 1978 PWs) bands (ev): -10.6257 -10.6236 -0.3759 -0.2295 0.2798 0.4490 0.8640 0.8715 3.5373 3.5709 3.7386 3.7989 3.8003 3.9139 4.0126 4.0537 4.2632 4.3875 9.5089 9.6592 9.6782 9.6837 12.1876 12.2323 12.6415 12.6914 k = 0.5000-0.0535 0.5746 ( 1970 PWs) bands (ev): -10.6257 -10.6236 -0.3595 -0.1960 0.2410 0.4276 0.8599 0.8674 3.5348 3.5695 3.7425 3.7930 3.7973 3.9144 4.0126 4.0528 4.2679 4.3933 9.5483 9.7243 9.7554 9.7714 12.0493 12.0974 12.5917 12.6483 k = 0.5000-0.0428 0.5821 ( 1974 PWs) bands (ev): -10.6256 -10.6235 -0.3450 -0.1626 0.2031 0.4089 0.8566 0.8640 3.5327 3.5682 3.7464 3.7872 3.7948 3.9148 4.0125 4.0519 4.2718 4.3979 9.5805 9.7594 9.8441 9.8598 11.9252 11.9766 12.5492 12.6115 k = 0.5000-0.0321 0.5897 ( 1974 PWs) bands (ev): -10.6256 -10.6234 -0.3330 -0.1303 0.1672 0.3935 0.8540 0.8614 3.5311 3.5672 3.7504 3.7818 3.7929 3.9151 4.0124 4.0512 4.2749 4.4016 9.6059 9.7879 9.9215 9.9381 11.8195 11.8742 12.5150 12.5820 k = 0.5000-0.0214 0.5973 ( 1970 PWs) bands (ev): -10.6256 -10.6234 -0.3239 -0.1009 0.1352 0.3820 0.8522 0.8595 3.5300 3.5665 3.7546 3.7767 3.7915 3.9154 4.0124 4.0507 4.2772 4.4043 9.6244 9.8089 9.9826 10.0006 11.7377 11.7951 12.4899 12.5604 k = 0.5000-0.0107 0.6048 ( 1970 PWs) bands (ev): -10.6256 -10.6234 -0.3183 -0.0784 0.1111 0.3749 0.8511 0.8584 3.5293 3.5661 3.7584 3.7722 3.7907 3.9155 4.0123 4.0505 4.2785 4.4058 9.6356 9.8218 10.0221 10.0414 11.6853 11.7448 12.4746 12.5472 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -10.6255 -10.6234 -0.3164 -0.0695 0.1017 0.3725 0.8507 0.8580 3.5292 3.5660 3.7604 3.7700 3.7904 3.9155 4.0123 4.0504 4.2790 4.4064 9.6394 9.8262 10.0358 10.0556 11.6673 11.7275 12.4695 12.5428 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -10.6255 -10.6234 -0.3164 -0.0695 0.1017 0.3725 0.8507 0.8580 3.5292 3.5660 3.7604 3.7700 3.7904 3.9155 4.0123 4.0504 4.2790 4.4064 9.6394 9.8262 10.0358 10.0556 11.6673 11.7275 12.4695 12.5428 k = 0.4938 0.0108 0.6124 ( 1972 PWs) bands (ev): -10.6256 -10.6234 -0.3173 -0.0736 0.1059 0.3734 0.8514 0.8587 3.5287 3.5667 3.7589 3.7713 3.7913 3.9157 4.0118 4.0511 4.2789 4.4062 9.6361 9.8219 10.0299 10.0507 11.6730 11.7327 12.4769 12.5501 k = 0.4875 0.0217 0.6124 ( 1972 PWs) bands (ev): -10.6259 -10.6237 -0.3199 -0.0846 0.1170 0.3761 0.8534 0.8607 3.5273 3.5692 3.7553 3.7741 3.7939 3.9161 4.0104 4.0534 4.2786 4.4059 9.6254 9.8074 10.0131 10.0387 11.6919 11.7500 12.4976 12.5703 k = 0.4813 0.0325 0.6124 ( 1972 PWs) bands (ev): -10.6263 -10.6241 -0.3241 -0.0998 0.1322 0.3801 0.8568 0.8642 3.5252 3.5732 3.7512 3.7774 3.7981 3.9168 4.0082 4.0571 4.2781 4.4053 9.6059 9.7797 9.9883 10.0241 11.7249 11.7807 12.5290 12.6008 k = 0.4750 0.0433 0.6124 ( 1972 PWs) bands (ev): -10.6268 -10.6246 -0.3296 -0.1172 0.1493 0.3851 0.8616 0.8692 3.5223 3.5784 3.7471 3.7805 3.8037 3.9178 4.0054 4.0621 4.2773 4.4043 9.5761 9.7366 9.9609 10.0099 11.7714 11.8251 12.5689 12.6396 k = 0.4688 0.0541 0.6124 ( 1979 PWs) bands (ev): -10.6274 -10.6252 -0.3361 -0.1355 0.1667 0.3905 0.8679 0.8756 3.5191 3.5843 3.7432 3.7835 3.8102 3.9190 4.0021 4.0682 4.2763 4.4029 9.5354 9.6789 9.9349 9.9980 11.8297 11.8823 12.6155 12.6850 k = 0.4625 0.0650 0.6124 ( 1977 PWs) bands (ev): -10.6280 -10.6259 -0.3435 -0.1538 0.1838 0.3962 0.8756 0.8834 3.5157 3.5907 3.7400 3.7865 3.8175 3.9206 3.9987 4.0752 4.2749 4.4011 9.4843 9.6097 9.9127 9.9887 11.8979 11.9511 12.6674 12.7357 k = 0.4562 0.0758 0.6124 ( 1975 PWs) bands (ev): -10.6288 -10.6267 -0.3514 -0.1717 0.1998 0.4018 0.8845 0.8923 3.5123 3.5972 3.7375 3.7896 3.8252 3.9225 3.9950 4.0832 4.2732 4.3989 9.4247 9.5330 9.8946 9.9814 11.9738 12.0297 12.7233 12.7908 k = 0.4500 0.0866 0.6124 ( 1981 PWs) bands (ev): -10.6295 -10.6274 -0.3595 -0.1888 0.2145 0.4071 0.8945 0.9023 3.5088 3.6035 3.7357 3.7927 3.8329 3.9248 3.9912 4.0920 4.2711 4.3960 9.3593 9.4524 9.8801 9.9755 12.0556 12.1163 12.7823 12.8494 k = 0.4437 0.0974 0.6124 ( 1977 PWs) bands (ev): -10.6303 -10.6282 -0.3678 -0.2050 0.2277 0.4119 0.9053 0.9130 3.5055 3.6094 3.7348 3.7961 3.8405 3.9276 3.9875 4.1017 4.2688 4.3926 9.2908 9.3708 9.8686 9.9705 12.1417 12.2089 12.8436 12.9110 k = 0.4375 0.1083 0.6124 ( 1980 PWs) bands (ev): -10.6310 -10.6290 -0.3759 -0.2202 0.2394 0.4161 0.9166 0.9242 3.5023 3.6146 3.7347 3.7997 3.8476 3.9309 3.9838 4.1120 4.2662 4.3885 9.2218 9.2906 9.8593 9.9661 12.2304 12.3056 12.9068 12.9752 k = 0.4313 0.1191 0.6124 ( 1978 PWs) bands (ev): -10.6318 -10.6298 -0.3838 -0.2341 0.2495 0.4198 0.9282 0.9355 3.4993 3.6190 3.7353 3.8036 3.8540 3.9347 3.9803 4.1229 4.2634 4.3839 9.1544 9.2134 9.8517 9.9622 12.3202 12.4044 12.9715 13.0419 k = 0.4250 0.1299 0.6124 ( 1982 PWs) bands (ev): -10.6325 -10.6305 -0.3911 -0.2467 0.2582 0.4228 0.9396 0.9467 3.4966 3.6226 3.7366 3.8077 3.8595 3.9389 3.9769 4.1343 4.2605 4.3786 9.0903 9.1409 9.8454 9.9587 12.4091 12.5029 13.0382 13.1111 k = 0.4188 0.1407 0.6124 ( 1982 PWs) bands (ev): -10.6332 -10.6312 -0.3979 -0.2579 0.2656 0.4253 0.9507 0.9574 3.4941 3.6253 3.7383 3.8120 3.8642 3.9434 3.9738 4.1459 4.2576 4.3728 9.0310 9.0742 9.8401 9.9555 12.4953 12.5986 13.1075 13.1832 k = 0.4125 0.1516 0.6124 ( 1977 PWs) bands (ev): -10.6337 -10.6318 -0.4040 -0.2678 0.2717 0.4274 0.9610 0.9674 3.4919 3.6273 3.7403 3.8164 3.8680 3.9477 3.9712 4.1574 4.2549 4.3665 8.9777 9.0143 9.8357 9.9527 12.5764 12.6883 13.1809 13.2586 k = 0.4062 0.1624 0.6124 ( 1977 PWs) bands (ev): -10.6343 -10.6324 -0.4093 -0.2762 0.2766 0.4289 0.9703 0.9763 3.4901 3.6288 3.7421 3.8207 3.8710 3.9515 3.9694 4.1684 4.2526 4.3599 8.9314 8.9620 9.8321 9.9502 12.6500 12.7686 13.2600 13.3379 k = 0.4000 0.1732 0.6124 ( 1981 PWs) bands (ev): -10.6347 -10.6328 -0.4137 -0.2831 0.2805 0.4301 0.9782 0.9839 3.4885 3.6297 3.7438 3.8246 3.8733 3.9539 3.9689 4.1784 4.2509 4.3532 8.8927 8.9181 9.8292 9.9481 12.7139 12.8364 13.3463 13.4213 k = 0.3937 0.1840 0.6124 ( 1981 PWs) bands (ev): -10.6351 -10.6332 -0.4173 -0.2885 0.2834 0.4310 0.9847 0.9900 3.4872 3.6303 3.7452 3.8280 3.8749 3.9548 3.9697 4.1869 4.2500 4.3469 8.8623 8.8831 9.8270 9.9465 12.7658 12.8897 13.4399 13.5087 k = 0.3875 0.1949 0.6124 ( 1979 PWs) bands (ev): -10.6353 -10.6334 -0.4198 -0.2923 0.2854 0.4316 0.9894 0.9945 3.4863 3.6307 3.7463 3.8307 3.8761 3.9547 3.9712 4.1932 4.2499 4.3416 8.8405 8.8575 9.8254 9.9453 12.8041 12.9275 13.5387 13.5978 k = 0.3812 0.2057 0.6124 ( 1979 PWs) bands (ev): -10.6355 -10.6336 -0.4213 -0.2947 0.2866 0.4319 0.9923 0.9972 3.4858 3.6309 3.7469 3.8324 3.8768 3.9543 3.9725 4.1970 4.2503 4.3379 8.8275 8.8418 9.8244 9.9446 12.8275 12.9499 13.6361 13.6783 k = 0.3750 0.2165 0.6124 ( 2003 PWs) bands (ev): -10.6355 -10.6337 -0.4219 -0.2955 0.2870 0.4320 0.9933 0.9981 3.4855 3.6308 3.7470 3.8328 3.8768 3.9540 3.9728 4.1981 4.2504 4.3365 8.8231 8.8365 9.8240 9.9443 12.8353 12.9573 13.7029 13.7051 k = 0.3750 0.2165 0.6124 ( 2003 PWs) bands (ev): -10.6355 -10.6337 -0.4219 -0.2955 0.2870 0.4320 0.9933 0.9981 3.4855 3.6308 3.7470 3.8328 3.8768 3.9540 3.9728 4.1981 4.2504 4.3365 8.8231 8.8365 9.8240 9.9443 12.8353 12.9573 13.7029 13.7051 k = 0.3685 0.2128 0.6018 ( 1987 PWs) bands (ev): -10.6375 -10.6356 -0.4054 -0.2645 0.2481 0.4081 0.9982 1.0026 3.4834 3.6312 3.7442 3.8450 3.8728 3.9562 3.9764 4.1952 4.2664 4.3519 8.8434 8.8617 9.8967 10.0197 12.7586 12.8917 13.6102 13.6115 k = 0.3621 0.2090 0.5913 ( 1987 PWs) bands (ev): -10.6398 -10.6379 -0.3901 -0.2331 0.2107 0.3872 1.0035 1.0073 3.4823 3.6318 3.7420 3.8556 3.8706 3.9561 3.9822 4.1916 4.2831 4.3678 8.8616 8.8852 9.9644 10.0890 12.6753 12.8162 13.5195 13.5200 k = 0.3556 0.2053 0.5807 ( 1991 PWs) bands (ev): -10.6425 -10.6405 -0.3762 -0.2017 0.1753 0.3697 1.0090 1.0123 3.4823 3.6327 3.7406 3.8586 3.8764 3.9545 3.9896 4.1876 4.3004 4.3843 8.8776 8.9067 10.0267 10.1518 12.5859 12.7316 13.4309 13.4309 k = 0.3491 0.2016 0.5701 ( 1991 PWs) bands (ev): -10.6454 -10.6434 -0.3639 -0.1711 0.1429 0.3562 1.0147 1.0176 3.4835 3.6338 3.7401 3.8557 3.8885 3.9519 3.9981 4.1832 4.3182 4.4013 8.8909 8.9258 10.0837 10.2078 12.4916 12.6393 13.3443 13.3446 k = 0.3427 0.1978 0.5596 ( 1991 PWs) bands (ev): -10.6487 -10.6467 -0.3536 -0.1423 0.1147 0.3470 1.0207 1.0231 3.4859 3.6350 3.7406 3.8519 3.9020 3.9485 4.0075 4.1786 4.3365 4.4189 8.9011 8.9421 10.1357 10.2573 12.3935 12.5413 13.2602 13.2608 k = 0.3362 0.1941 0.5490 ( 1981 PWs) bands (ev): -10.6524 -10.6504 -0.3453 -0.1175 0.0932 0.3423 1.0267 1.0287 3.4893 3.6364 3.7422 3.8480 3.9161 3.9447 4.0176 4.1738 4.3554 4.4371 8.9077 8.9550 10.1832 10.3009 12.2929 12.4391 13.1787 13.1795 k = 0.3297 0.1904 0.5385 ( 1985 PWs) bands (ev): -10.6565 -10.6545 -0.3390 -0.1003 0.0818 0.3422 1.0329 1.0344 3.4938 3.6377 3.7448 3.8441 3.9304 3.9404 4.0283 4.1687 4.3746 4.4556 8.9103 8.9640 10.2271 10.3395 12.1908 12.3345 13.0999 13.1008 k = 0.3233 0.1866 0.5279 ( 1981 PWs) bands (ev): -10.6610 -10.6590 -0.3345 -0.0940 0.0841 0.3467 1.0391 1.0401 3.4994 3.6389 3.7488 3.8405 3.9359 3.9451 4.0396 4.1638 4.3943 4.4746 8.9084 8.9685 10.2684 10.3743 12.0883 12.2286 13.0237 13.0246 k = 0.3168 0.1829 0.5173 ( 1983 PWs) bands (ev): -10.6659 -10.6639 -0.3316 -0.0985 0.0999 0.3555 1.0453 1.0459 3.5059 3.6398 3.7539 3.8370 3.9314 3.9599 4.0513 4.1589 4.4142 4.4939 8.9016 8.9679 10.3080 10.4064 11.9862 12.1226 12.9501 12.9511 k = 0.3103 0.1792 0.5068 ( 1983 PWs) bands (ev): -10.6712 -10.6692 -0.3298 -0.1097 0.1253 0.3683 1.0515 1.0517 3.5134 3.6405 3.7602 3.8337 3.9270 3.9749 4.0636 4.1543 4.4345 4.5135 8.8896 8.9618 10.3469 10.4370 11.8853 12.0171 12.8791 12.8802 k = 0.3039 0.1754 0.4962 ( 1979 PWs) bands (ev): -10.6769 -10.6750 -0.3287 -0.1237 0.1562 0.3846 1.0575 1.0576 3.5218 3.6409 3.7676 3.8308 3.9231 3.9900 4.0764 4.1501 4.4551 4.5335 8.8722 8.9497 10.3860 10.4674 11.7862 11.9130 12.8108 12.8118 k = 0.2974 0.1717 0.4857 ( 1979 PWs) bands (ev): -10.6831 -10.6813 -0.3279 -0.1380 0.1903 0.4039 1.0632 1.0636 3.5310 3.6411 3.7757 3.8282 3.9200 4.0051 4.0897 4.1465 4.4759 4.5537 8.8491 8.9313 10.4261 10.4985 11.6894 11.8107 12.7450 12.7461 k = 0.2909 0.1680 0.4751 ( 1983 PWs) bands (ev): -10.6898 -10.6879 -0.3268 -0.1512 0.2260 0.4258 1.0688 1.0696 3.5407 3.6409 3.7839 3.8260 3.9182 4.0200 4.1034 4.1436 4.4970 4.5742 8.8204 8.9065 10.4676 10.5310 11.5955 11.7108 12.6818 12.6828 k = 0.2845 0.1642 0.4646 ( 1971 PWs) bands (ev): -10.6968 -10.6950 -0.3251 -0.1625 0.2627 0.4497 1.0744 1.0755 3.5511 3.6407 3.7918 3.8242 3.9185 4.0347 4.1176 4.1421 4.5183 4.5948 8.7861 8.8752 10.5111 10.5654 11.5051 11.6137 12.6212 12.6221 k = 0.2780 0.1605 0.4540 ( 1975 PWs) bands (ev): -10.7044 -10.7026 -0.3223 -0.1716 0.2998 0.4753 1.0798 1.0812 3.5619 3.6403 3.7983 3.8227 3.9215 4.0488 4.1323 4.1420 4.5396 4.6155 8.7465 8.8374 10.5566 10.6019 11.4186 11.5199 12.5627 12.5636 k = 0.2716 0.1568 0.4434 ( 1975 PWs) bands (ev): -10.7123 -10.7106 -0.3181 -0.1781 0.3370 0.5021 1.0851 1.0867 3.5730 3.6397 3.8028 3.8217 3.9281 4.0621 4.1442 4.1475 4.5610 4.6363 8.7016 8.7935 10.6043 10.6402 11.3368 11.4297 12.5065 12.5074 k = 0.2651 0.1530 0.4329 ( 1975 PWs) bands (ev): -10.7207 -10.7190 -0.3123 -0.1818 0.3740 0.5298 1.0902 1.0921 3.5841 3.6392 3.8049 3.8210 3.9387 4.0740 4.1492 4.1632 4.5825 4.6571 8.6517 8.7437 10.6539 10.6797 11.2607 11.3437 12.4525 12.4534 k = 0.2586 0.1493 0.4223 ( 1981 PWs) bands (ev): -10.7294 -10.7279 -0.3046 -0.1828 0.4106 0.5580 1.0952 1.0973 3.5951 3.6387 3.8047 3.8207 3.9530 4.0843 4.1574 4.1795 4.6039 4.6779 8.5972 8.6883 10.7049 10.7190 11.1917 11.2624 12.4005 12.4013 k = 0.2522 0.1456 0.4118 ( 1971 PWs) bands (ev): -10.7386 -10.7371 -0.2948 -0.1808 0.4467 0.5865 1.1000 1.1024 3.6060 3.6383 3.8027 3.8209 3.9707 4.0934 4.1691 4.1965 4.6253 4.6987 8.5384 8.6279 10.7554 10.7564 11.1326 11.1868 12.3504 12.3511 k = 0.2457 0.1418 0.4012 ( 1971 PWs) bands (ev): -10.7482 -10.7467 -0.2828 -0.1758 0.4820 0.6150 1.1046 1.1072 3.6164 3.6380 3.7992 3.8213 3.9911 4.1019 4.1836 4.2141 4.6466 4.7193 8.4756 8.5626 10.7834 10.8064 11.0887 11.1190 12.3019 12.3027 k = 0.2392 0.1381 0.3907 ( 1975 PWs) bands (ev): -10.7581 -10.7567 -0.2684 -0.1678 0.5166 0.6432 1.1090 1.1118 3.6261 3.6379 3.7947 3.8217 4.0137 4.1106 4.2003 4.2325 4.6678 4.7397 8.4090 8.4930 10.7947 10.8490 11.0646 11.0680 12.2550 12.2557 k = 0.2328 0.1344 0.3801 ( 1983 PWs) bands (ev): -10.7683 -10.7671 -0.2517 -0.1569 0.5502 0.6710 1.1132 1.1162 3.6352 3.6379 3.7897 3.8222 4.0380 4.1201 4.2190 4.2517 4.6888 4.7599 8.3389 8.4195 10.7841 10.8682 11.0392 11.0754 12.2095 12.2101 k = 0.2263 0.1307 0.3695 ( 1983 PWs) bands (ev): -10.7789 -10.7777 -0.2324 -0.1431 0.5827 0.6982 1.1173 1.1205 3.6381 3.6436 3.7844 3.8227 4.0637 4.1311 4.2393 4.2720 4.7096 4.7798 8.2657 8.3425 10.7569 10.8495 11.0574 11.1052 12.1652 12.1658 k = 0.2198 0.1269 0.3590 ( 1981 PWs) bands (ev): -10.7898 -10.7886 -0.2108 -0.1263 0.6141 0.7246 1.1212 1.1246 3.6386 3.6513 3.7789 3.8230 4.0904 4.1436 4.2611 4.2935 4.7301 4.7995 8.1896 8.2623 10.7223 10.8098 11.1018 11.1481 12.1220 12.1226 k = 0.2134 0.1232 0.3484 ( 1985 PWs) bands (ev): -10.8009 -10.7998 -0.1866 -0.1067 0.6442 0.7501 1.1248 1.1285 3.6394 3.6581 3.7734 3.8229 4.1177 4.1580 4.2843 4.3161 4.7503 4.8188 8.1109 8.1793 10.6860 10.7659 11.1553 11.1974 12.0797 12.0802 k = 0.2069 0.1195 0.3379 ( 1981 PWs) bands (ev): -10.8122 -10.8112 -0.1600 -0.0843 0.6731 0.7745 1.1283 1.1322 3.6404 3.6644 3.7681 3.8225 4.1455 4.1740 4.3089 4.3402 4.7702 4.8377 8.0298 8.0937 10.6512 10.7234 11.2117 11.2497 12.0382 12.0387 k = 0.2004 0.1157 0.3273 ( 1985 PWs) bands (ev): -10.8237 -10.8228 -0.1310 -0.0593 0.7006 0.7978 1.1317 1.1358 3.6416 3.6699 3.7629 3.8216 4.1733 4.1917 4.3349 4.3657 4.7897 4.8562 7.9465 8.0060 10.6193 10.6844 11.2684 11.3029 11.9973 11.9978 k = 0.1940 0.1120 0.3167 ( 1977 PWs) bands (ev): -10.8354 -10.8346 -0.0997 -0.0316 0.7268 0.8199 1.1348 1.1392 3.6432 3.6750 3.7579 3.8204 4.2011 4.2108 4.3623 4.3929 4.8088 4.8742 7.8613 7.9164 10.5912 10.6497 11.3240 11.3556 11.9571 11.9575 k = 0.1875 0.1083 0.3062 ( 1977 PWs) bands (ev): -10.8472 -10.8464 -0.0661 -0.0015 0.7516 0.8407 1.1379 1.1425 3.6450 3.6797 3.7533 3.8187 4.2286 4.2312 4.3911 4.4216 4.8274 4.8917 7.7744 7.8251 10.5670 10.6196 11.3775 11.4065 11.9173 11.9176 k = 0.1810 0.1045 0.2956 ( 1983 PWs) bands (ev): -10.8591 -10.8584 -0.0305 0.0309 0.7750 0.8602 1.1407 1.1457 3.6470 3.6839 3.7489 3.8167 4.2526 4.2557 4.4212 4.4519 4.8456 4.9087 7.6860 7.7324 10.5472 10.5943 11.4279 11.4546 11.8781 11.8783 k = 0.1746 0.1008 0.2851 ( 1983 PWs) bands (ev): -10.8711 -10.8704 0.0072 0.0655 0.7970 0.8784 1.1435 1.1488 3.6493 3.6878 3.7449 3.8144 4.2750 4.2824 4.4525 4.4836 4.8632 4.9251 7.5962 7.6385 10.5320 10.5740 11.4743 11.4990 11.8394 11.8394 k = 0.1681 0.0971 0.2745 ( 1977 PWs) bands (ev): -10.8830 -10.8824 0.0467 0.1021 0.8177 0.8953 1.1461 1.1518 3.6519 3.6916 3.7414 3.8119 4.2981 4.3088 4.4851 4.5166 4.8803 4.9410 7.5054 7.5437 10.5213 10.5587 11.5159 11.5386 11.8012 11.8014 k = 0.1616 0.0933 0.2640 ( 1977 PWs) bands (ev): -10.8949 -10.8944 0.0879 0.1405 0.8370 0.9110 1.1486 1.1547 3.6547 3.6951 3.7381 3.8092 4.3219 4.3349 4.5186 4.5507 4.8969 4.9562 7.4136 7.4481 10.5152 10.5484 11.5516 11.5723 11.7639 11.7645 k = 0.1552 0.0896 0.2534 ( 1977 PWs) bands (ev): -10.9068 -10.9063 0.1306 0.1806 0.8551 0.9253 1.1510 1.1575 3.6578 3.6985 3.7353 3.8064 4.3464 4.3609 4.5529 4.5854 4.9129 4.9708 7.3210 7.3520 10.5137 10.5431 11.5801 11.5985 11.7281 11.7295 k = 0.1487 0.0859 0.2428 ( 1979 PWs) bands (ev): -10.9185 -10.9180 0.1747 0.2220 0.8721 0.9386 1.1532 1.1602 3.6610 3.7017 3.7328 3.8035 4.3714 4.3867 4.5878 4.6207 4.9282 4.9847 7.2279 7.2556 10.5167 10.5427 11.5992 11.6141 11.6954 11.6989 k = 0.1422 0.0821 0.2323 ( 1975 PWs) bands (ev): -10.9300 -10.9297 0.2197 0.2645 0.8880 0.9507 1.1554 1.1628 3.6645 3.7050 3.7307 3.8005 4.3970 4.4127 4.6231 4.6562 4.9431 4.9980 7.1344 7.1589 10.5243 10.5471 11.6037 11.6124 11.6709 11.6792 k = 0.1358 0.0784 0.2217 ( 1975 PWs) bands (ev): -10.9414 -10.9411 0.2656 0.3079 0.9029 0.9620 1.1575 1.1653 3.6682 3.7081 3.7290 3.7976 4.4231 4.4389 4.6585 4.6916 4.9572 5.0107 7.0406 7.0622 10.5362 10.5562 11.5880 11.5913 11.6599 11.6721 k = 0.1293 0.0747 0.2112 ( 1979 PWs) bands (ev): -10.9526 -10.9523 0.3120 0.3519 0.9170 0.9723 1.1595 1.1676 3.6720 3.7112 3.7276 3.7946 4.4500 4.4654 4.6937 4.7267 4.9708 5.0226 6.9468 6.9657 10.5525 10.5699 11.5599 11.5614 11.6545 11.6673 k = 0.1228 0.0709 0.2006 ( 1985 PWs) bands (ev): -10.9634 -10.9632 0.3587 0.3961 0.9304 0.9820 1.1613 1.1698 3.6758 3.7141 3.7265 3.7916 4.4774 4.4924 4.7287 4.7612 4.9837 5.0339 6.8532 6.8695 10.5728 10.5880 11.5282 11.5291 11.6464 11.6586 k = 0.1164 0.0672 0.1900 ( 1981 PWs) bands (ev): -10.9740 -10.9738 0.4052 0.4401 0.9434 0.9913 1.1631 1.1718 3.6798 3.7171 3.7258 3.7886 4.5057 4.5199 4.7630 4.7949 4.9961 5.0445 6.7598 6.7738 10.5970 10.6102 11.4958 11.4966 11.6333 11.6443 k = 0.1099 0.0635 0.1795 ( 1981 PWs) bands (ev): -10.9842 -10.9840 0.4512 0.4836 0.9561 1.0002 1.1648 1.1737 3.6839 3.7199 3.7254 3.7858 4.5347 4.5481 4.7966 4.8275 5.0077 5.0545 6.6668 6.6788 10.6250 10.6364 11.4638 11.4645 11.6146 11.6246 k = 0.1034 0.0597 0.1689 ( 1985 PWs) bands (ev): -10.9941 -10.9939 0.4963 0.5261 0.9688 1.0090 1.1663 1.1754 3.6880 3.7227 3.7253 3.7830 4.5645 4.5771 4.8292 4.8589 5.0188 5.0638 6.5746 6.5846 10.6562 10.6661 11.4325 11.4333 11.5910 11.5998 k = 0.0970 0.0560 0.1584 ( 1985 PWs) bands (ev): -11.0035 -11.0034 0.5400 0.5672 0.9816 1.0180 1.1678 1.1769 3.6922 3.7253 3.7255 3.7802 4.5953 4.6069 4.8607 4.8889 5.0292 5.0724 6.4831 6.4915 10.6905 10.6991 11.4024 11.4032 11.5632 11.5709 k = 0.0905 0.0523 0.1478 ( 1991 PWs) bands (ev): -11.0125 -11.0124 0.5819 0.6062 0.9949 1.0274 1.1691 1.1781 3.6963 3.7259 3.7279 3.7775 4.6270 4.6377 4.8908 4.9173 5.0391 5.0805 6.3927 6.3995 10.7275 10.7348 11.3734 11.3744 11.5320 11.5388 k = 0.0841 0.0485 0.1373 ( 1991 PWs) bands (ev): -11.0210 -11.0209 0.6215 0.6429 1.0088 1.0373 1.1704 1.1792 3.7004 3.7266 3.7303 3.7748 4.6599 4.6695 4.9194 4.9440 5.0483 5.0879 6.3035 6.3090 10.7665 10.7729 11.3459 11.3469 11.4987 11.5044 k = 0.0776 0.0448 0.1267 ( 1991 PWs) bands (ev): -11.0290 -11.0289 0.6582 0.6766 1.0236 1.0482 1.1715 1.1801 3.7044 3.7274 3.7326 3.7723 4.6938 4.7025 4.9464 4.9689 5.0570 5.0947 6.2157 6.2200 10.8072 10.8127 11.3199 11.3210 11.4640 11.4688 k = 0.0711 0.0411 0.1161 ( 1993 PWs) bands (ev): -11.0364 -11.0364 0.6918 0.7070 1.0394 1.0600 1.1726 1.1808 3.7084 3.7284 3.7347 3.7697 4.7289 4.7367 4.9716 4.9917 5.0652 5.1010 6.1296 6.1329 10.8487 10.8535 11.2955 11.2967 11.4290 11.4330 k = 0.0647 0.0373 0.1056 ( 1993 PWs) bands (ev): -11.0434 -11.0433 0.7217 0.7338 1.0561 1.0728 1.1736 1.1813 3.7122 3.7296 3.7366 3.7672 4.7653 4.7721 4.9949 5.0125 5.0729 5.1068 6.0454 6.0478 10.8904 10.8946 11.2729 11.2742 11.3946 11.3979 k = 0.0582 0.0336 0.0950 ( 1993 PWs) bands (ev): -11.0497 -11.0496 0.7477 0.7571 1.0735 1.0867 1.1745 1.1817 3.7159 3.7310 3.7384 3.7647 4.8029 4.8087 5.0161 5.0311 5.0801 5.1122 5.9633 5.9650 10.9314 10.9350 11.2522 11.2537 11.3618 11.3643 k = 0.0517 0.0299 0.0845 ( 1985 PWs) bands (ev): -11.0554 -11.0554 0.7699 0.7767 1.0913 1.1012 1.1753 1.1819 3.7195 3.7325 3.7399 3.7623 4.8418 4.8467 5.0352 5.0475 5.0871 5.1171 5.8837 5.8847 10.9707 10.9739 11.2338 11.2354 11.3312 11.3331 k = 0.0453 0.0261 0.0739 ( 1989 PWs) bands (ev): -11.0605 -11.0605 0.7884 0.7930 1.1088 1.1161 1.1761 1.1820 3.7229 3.7340 3.7412 3.7599 4.8818 4.8858 5.0519 5.0615 5.0938 5.1217 5.8068 5.8074 11.0070 11.0096 11.2180 11.2196 11.3035 11.3049 k = 0.0388 0.0224 0.0633 ( 1989 PWs) bands (ev): -11.0649 -11.0649 0.8033 0.8063 1.1256 1.1306 1.1768 1.1820 3.7261 3.7355 3.7422 3.7575 4.9226 4.9257 5.0661 5.0734 5.1005 5.1258 5.7331 5.7334 11.0387 11.0408 11.2058 11.2073 11.2792 11.2801 k = 0.0323 0.0187 0.0528 ( 1985 PWs) bands (ev): -11.0687 -11.0687 0.8151 0.8168 1.1409 1.1443 1.1775 1.1819 3.7292 3.7371 3.7430 3.7551 4.9639 4.9661 5.0778 5.0834 5.1074 5.1295 5.6634 5.6634 11.0640 11.0656 11.1983 11.1995 11.2587 11.2592 k = 0.0259 0.0149 0.0422 ( 1977 PWs) bands (ev): -11.0718 -11.0718 0.8242 0.8250 1.1544 1.1565 1.1781 1.1817 3.7321 3.7385 3.7435 3.7527 5.0043 5.0057 5.0875 5.0920 5.1144 5.1326 5.5984 5.5984 11.0811 11.0821 11.1968 11.1976 11.2421 11.2424 k = 0.0194 0.0112 0.0317 ( 1985 PWs) bands (ev): -11.0742 -11.0742 0.8308 0.8311 1.1653 1.1666 1.1787 1.1814 3.7348 3.7398 3.7437 3.7502 5.0412 5.0416 5.0967 5.1005 5.1210 5.1348 5.5399 5.5400 11.0899 11.0904 11.2004 11.2008 11.2293 11.2294 k = 0.0129 0.0075 0.0211 ( 1989 PWs) bands (ev): -11.0760 -11.0760 0.8353 0.8354 1.1734 1.1741 1.1792 1.1810 3.7375 3.7409 3.7436 3.7477 5.0681 5.0683 5.1094 5.1124 5.1267 5.1359 5.4909 5.4910 11.0930 11.0932 11.2063 11.2064 11.2202 11.2203 k = 0.0065 0.0037 0.0106 ( 1989 PWs) bands (ev): -11.0770 -11.0770 0.8379 0.8379 1.1784 1.1787 1.1797 1.1806 3.7402 3.7420 3.7433 3.7453 5.0807 5.0808 5.1259 5.1274 5.1312 5.1358 5.4566 5.4567 11.0935 11.0936 11.2113 11.2113 11.2149 11.2149 k = 0.0000 0.0000 0.0000 ( 1989 PWs) bands (ev): -11.0774 -11.0774 0.8387 0.8387 1.1802 1.1802 1.1802 1.1802 3.7428 3.7428 3.7428 3.7428 5.0838 5.0838 5.1342 5.1342 5.1342 5.1342 5.4439 5.4439 11.0935 11.0935 11.2131 11.2131 11.2131 11.2131 k = 0.0000 0.0000 0.0000 ( 1989 PWs) bands (ev): -11.0774 -11.0774 0.8387 0.8387 1.1802 1.1802 1.1802 1.1802 3.7428 3.7428 3.7428 3.7428 5.0838 5.0838 5.1342 5.1342 5.1342 5.1342 5.4439 5.4439 11.0935 11.0935 11.2131 11.2131 11.2131 11.2131 k = 0.0106 0.0061 0.0043 ( 1989 PWs) bands (ev): -11.0770 -11.0770 0.8379 0.8379 1.1785 1.1785 1.1797 1.1807 3.7401 3.7426 3.7426 3.7454 5.0806 5.0806 5.1264 5.1264 5.1311 5.1361 5.4568 5.4568 11.0936 11.0936 11.2114 11.2114 11.2147 11.2147 k = 0.0213 0.0123 0.0087 ( 1989 PWs) bands (ev): -11.0760 -11.0760 0.8353 0.8353 1.1735 1.1735 1.1792 1.1812 3.7374 3.7422 3.7422 3.7480 5.0674 5.0674 5.1108 5.1108 5.1267 5.1367 5.4915 5.4915 11.0933 11.0933 11.2070 11.2070 11.2194 11.2194 k = 0.0319 0.0184 0.0130 ( 1983 PWs) bands (ev): -11.0742 -11.0742 0.8308 0.8308 1.1655 1.1655 1.1788 1.1818 3.7347 3.7416 3.7416 3.7505 5.0388 5.0388 5.0998 5.0998 5.1211 5.1361 5.5407 5.5407 11.0913 11.0913 11.2015 11.2015 11.2273 11.2273 k = 0.0426 0.0246 0.0174 ( 1980 PWs) bands (ev): -11.0717 -11.0717 0.8243 0.8243 1.1546 1.1546 1.1784 1.1824 3.7320 3.7408 3.7408 3.7531 5.0004 5.0004 5.0930 5.0930 5.1143 5.1342 5.5992 5.5992 11.0849 11.0849 11.1979 11.1979 11.2381 11.2382 k = 0.0532 0.0307 0.0217 ( 1980 PWs) bands (ev): -11.0686 -11.0686 0.8153 0.8153 1.1415 1.1415 1.1781 1.1830 3.7293 3.7398 3.7398 3.7556 4.9582 4.9582 5.0871 5.0871 5.1064 5.1311 5.6638 5.6638 11.0715 11.0715 11.1992 11.1992 11.2520 11.2520 k = 0.0638 0.0369 0.0261 ( 1980 PWs) bands (ev): -11.0647 -11.0647 0.8036 0.8036 1.1267 1.1267 1.1778 1.1836 3.7266 3.7384 3.7384 3.7580 4.9150 4.9150 5.0809 5.0809 5.0973 5.1268 5.7329 5.7329 11.0511 11.0511 11.2066 11.2066 11.2685 11.2686 k = 0.0745 0.0430 0.0304 ( 1977 PWs) bands (ev): -11.0602 -11.0602 0.7887 0.7887 1.1110 1.1110 1.1775 1.1842 3.7240 3.7370 3.7370 3.7604 4.8719 4.8719 5.0741 5.0741 5.0871 5.1214 5.8054 5.8054 11.0247 11.0247 11.2194 11.2194 11.2876 11.2877 k = 0.0851 0.0491 0.0347 ( 1983 PWs) bands (ev): -11.0551 -11.0551 0.7702 0.7702 1.0949 1.0949 1.1772 1.1848 3.7214 3.7352 3.7352 3.7627 4.8294 4.8294 5.0665 5.0665 5.0758 5.1147 5.8806 5.8806 10.9942 10.9942 11.2364 11.2364 11.3089 11.3092 k = 0.0957 0.0553 0.0391 ( 1983 PWs) bands (ev): -11.0493 -11.0493 0.7476 0.7476 1.0794 1.0794 1.1770 1.1855 3.7189 3.7334 3.7334 3.7650 4.7877 4.7877 5.0582 5.0582 5.0636 5.1070 5.9579 5.9579 10.9613 10.9613 11.2569 11.2569 11.3325 11.3328 k = 0.1064 0.0614 0.0434 ( 1989 PWs) bands (ev): -11.0429 -11.0429 0.7206 0.7206 1.0648 1.0648 1.1768 1.1861 3.7164 3.7313 3.7313 3.7672 4.7469 4.7469 5.0491 5.0491 5.0504 5.0982 6.0368 6.0368 10.9272 10.9272 11.2798 11.2798 11.3578 11.3583 k = 0.1170 0.0676 0.0478 ( 1989 PWs) bands (ev): -11.0359 -11.0359 0.6894 0.6894 1.0516 1.0516 1.1766 1.1867 3.7141 3.7292 3.7292 3.7695 4.7070 4.7070 5.0363 5.0394 5.0394 5.0884 6.1169 6.1169 10.8933 10.8933 11.3049 11.3049 11.3847 11.3853 k = 0.1277 0.0737 0.0521 ( 1989 PWs) bands (ev): -11.0284 -11.0284 0.6539 0.6539 1.0399 1.0399 1.1765 1.1873 3.7120 3.7270 3.7270 3.7718 4.6680 4.6680 5.0215 5.0289 5.0289 5.0776 6.1977 6.1977 10.8604 10.8604 11.3315 11.3315 11.4128 11.4136 k = 0.1383 0.0798 0.0565 ( 1995 PWs) bands (ev): -11.0203 -11.0203 0.6145 0.6145 1.0299 1.0299 1.1764 1.1878 3.7100 3.7247 3.7247 3.7741 4.6298 4.6298 5.0058 5.0177 5.0177 5.0659 6.2787 6.2787 10.8296 10.8296 11.3592 11.3592 11.4417 11.4427 k = 0.1489 0.0860 0.0608 ( 1994 PWs) bands (ev): -11.0118 -11.0118 0.5717 0.5717 1.0213 1.0213 1.1763 1.1884 3.7083 3.7224 3.7224 3.7764 4.5926 4.5926 4.9896 5.0059 5.0059 5.0534 6.3595 6.3595 10.8015 10.8015 11.3877 11.3877 11.4712 11.4723 k = 0.1596 0.0921 0.0651 ( 1994 PWs) bands (ev): -11.0028 -11.0028 0.5259 0.5259 1.0140 1.0140 1.1762 1.1889 3.7068 3.7201 3.7201 3.7788 4.5561 4.5561 4.9727 4.9936 4.9936 5.0402 6.4396 6.4396 10.7769 10.7769 11.4164 11.4164 11.5007 11.5020 k = 0.1702 0.0983 0.0695 ( 1994 PWs) bands (ev): -10.9933 -10.9933 0.4776 0.4776 1.0078 1.0078 1.1761 1.1893 3.7056 3.7177 3.7177 3.7813 4.5203 4.5203 4.9553 4.9808 4.9808 5.0261 6.5186 6.5186 10.7565 10.7565 11.4451 11.4451 11.5299 11.5313 k = 0.1809 0.1044 0.0738 ( 1988 PWs) bands (ev): -10.9835 -10.9835 0.4273 0.4273 1.0025 1.0025 1.1760 1.1898 3.7047 3.7154 3.7154 3.7839 4.4854 4.4854 4.9374 4.9675 4.9675 5.0115 6.5959 6.5959 10.7410 10.7410 11.4732 11.4732 11.5583 11.5599 k = 0.1915 0.1106 0.0782 ( 1982 PWs) bands (ev): -10.9733 -10.9733 0.3755 0.3755 0.9980 0.9980 1.1760 1.1902 3.7041 3.7132 3.7132 3.7865 4.4512 4.4512 4.9191 4.9539 4.9539 4.9962 6.6712 6.6712 10.7308 10.7308 11.5003 11.5003 11.5856 11.5874 k = 0.2021 0.1167 0.0825 ( 1982 PWs) bands (ev): -10.9628 -10.9628 0.3225 0.3225 0.9941 0.9941 1.1760 1.1905 3.7039 3.7110 3.7110 3.7893 4.4176 4.4176 4.9004 4.9398 4.9398 4.9803 6.7439 6.7439 10.7264 10.7264 11.5262 11.5262 11.6114 11.6133 k = 0.2128 0.1228 0.0869 ( 1976 PWs) bands (ev): -10.9520 -10.9520 0.2688 0.2688 0.9908 0.9908 1.1759 1.1907 3.7040 3.7088 3.7088 3.7921 4.3849 4.3849 4.8816 4.9255 4.9255 4.9640 6.8137 6.8137 10.7282 10.7282 11.5505 11.5505 11.6354 11.6374 k = 0.2234 0.1290 0.0912 ( 1982 PWs) bands (ev): -10.9410 -10.9410 0.2146 0.2146 0.9878 0.9878 1.1759 1.1910 3.7044 3.7067 3.7067 3.7950 4.3528 4.3528 4.8625 4.9109 4.9109 4.9472 6.8801 6.8801 10.7364 10.7364 11.5727 11.5727 11.6572 11.6593 k = 0.2340 0.1351 0.0955 ( 1979 PWs) bands (ev): -10.9299 -10.9299 0.1603 0.1603 0.9852 0.9852 1.1759 1.1911 3.7046 3.7046 3.7053 3.7980 4.3217 4.3217 4.8433 4.8961 4.8961 4.9300 6.9429 6.9429 10.7514 10.7514 11.5929 11.5929 11.6766 11.6788 k = 0.2447 0.1413 0.0999 ( 1979 PWs) bands (ev): -10.9186 -10.9186 0.1062 0.1062 0.9829 0.9829 1.1759 1.1912 3.7027 3.7027 3.7066 3.8012 4.2913 4.2913 4.8241 4.8812 4.8812 4.9125 7.0017 7.0017 10.7732 10.7732 11.6106 11.6106 11.6934 11.6956 k = 0.2553 0.1474 0.1042 ( 1976 PWs) bands (ev): -10.9073 -10.9073 0.0526 0.0526 0.9808 0.9808 1.1759 1.1912 3.7008 3.7008 3.7084 3.8045 4.2617 4.2617 4.8050 4.8662 4.8662 4.8947 7.0564 7.0564 10.8018 10.8018 11.6259 11.6259 11.7076 11.7098 k = 0.2660 0.1536 0.1086 ( 1979 PWs) bands (ev): -10.8959 -10.8959 -0.0004 -0.0004 0.9789 0.9789 1.1758 1.1911 3.6990 3.6990 3.7105 3.8078 4.2330 4.2330 4.7859 4.8512 4.8512 4.8768 7.1068 7.1068 10.8371 10.8371 11.6385 11.6385 11.7190 11.7212 k = 0.2766 0.1597 0.1129 ( 1979 PWs) bands (ev): -10.8845 -10.8845 -0.0525 -0.0525 0.9772 0.9772 1.1758 1.1910 3.6973 3.6973 3.7131 3.8112 4.2054 4.2054 4.7670 4.8362 4.8362 4.8587 7.1528 7.1528 10.8788 10.8788 11.6486 11.6486 11.7278 11.7298 k = 0.2872 0.1658 0.1173 ( 1979 PWs) bands (ev): -10.8732 -10.8732 -0.1034 -0.1034 0.9756 0.9756 1.1758 1.1909 3.6955 3.6955 3.7162 3.8147 4.1789 4.1789 4.7484 4.8214 4.8214 4.8405 7.1945 7.1945 10.9267 10.9267 11.6562 11.6562 11.7339 11.7358 k = 0.2979 0.1720 0.1216 ( 1982 PWs) bands (ev): -10.8621 -10.8621 -0.1530 -0.1530 0.9742 0.9742 1.1758 1.1906 3.6938 3.6938 3.7197 3.8182 4.1535 4.1535 4.7301 4.8066 4.8066 4.8222 7.2320 7.2320 10.9801 10.9801 11.6614 11.6614 11.7375 11.7393 k = 0.3085 0.1781 0.1259 ( 1994 PWs) bands (ev): -10.8511 -10.8511 -0.2012 -0.2012 0.9728 0.9728 1.1758 1.1903 3.6920 3.6920 3.7236 3.8216 4.1292 4.1292 4.7123 4.7921 4.7921 4.8040 7.2653 7.2653 11.0385 11.0385 11.6645 11.6645 11.7389 11.7405 k = 0.3191 0.1843 0.1303 ( 1994 PWs) bands (ev): -10.8404 -10.8404 -0.2476 -0.2476 0.9715 0.9715 1.1759 1.1899 3.6903 3.6903 3.7279 3.8251 4.1063 4.1063 4.6949 4.7779 4.7779 4.7859 7.2948 7.2948 11.1014 11.1014 11.6655 11.6655 11.7382 11.7397 k = 0.3298 0.1904 0.1346 ( 1994 PWs) bands (ev): -10.8299 -10.8299 -0.2923 -0.2923 0.9704 0.9704 1.1759 1.1895 3.6885 3.6885 3.7327 3.8285 4.0847 4.0847 4.6783 4.7640 4.7640 4.7680 7.3206 7.3206 11.1678 11.1678 11.6648 11.6648 11.7358 11.7371 k = 0.3404 0.1965 0.1390 ( 1994 PWs) bands (ev): -10.8198 -10.8198 -0.3349 -0.3349 0.9693 0.9693 1.1760 1.1891 3.6867 3.6867 3.7379 3.8319 4.0644 4.0644 4.6623 4.7503 4.7505 4.7505 7.3430 7.3430 11.2370 11.2370 11.6625 11.6625 11.7319 11.7330 k = 0.3511 0.2027 0.1433 ( 1994 PWs) bands (ev): -10.8100 -10.8100 -0.3755 -0.3755 0.9683 0.9683 1.1760 1.1886 3.6847 3.6847 3.7435 3.8350 4.0457 4.0457 4.6470 4.7329 4.7375 4.7375 7.3623 7.3623 11.3079 11.3079 11.6591 11.6591 11.7267 11.7277 k = 0.3617 0.2088 0.1477 ( 1988 PWs) bands (ev): -10.8007 -10.8007 -0.4138 -0.4138 0.9673 0.9673 1.1761 1.1880 3.6827 3.6827 3.7494 3.8380 4.0285 4.0285 4.6327 4.7159 4.7250 4.7250 7.3788 7.3788 11.3798 11.3798 11.6547 11.6547 11.7207 11.7215 k = 0.3723 0.2150 0.1520 ( 1988 PWs) bands (ev): -10.7919 -10.7919 -0.4497 -0.4497 0.9664 0.9664 1.1762 1.1874 3.6806 3.6806 3.7556 3.8407 4.0127 4.0127 4.6193 4.6993 4.7130 4.7130 7.3929 7.3929 11.4513 11.4513 11.6497 11.6497 11.7138 11.7145 k = 0.3830 0.2211 0.1564 ( 1994 PWs) bands (ev): -10.7836 -10.7836 -0.4832 -0.4832 0.9656 0.9656 1.1763 1.1868 3.6783 3.6783 3.7620 3.8429 3.9984 3.9984 4.6070 4.6832 4.7017 4.7017 7.4046 7.4046 11.5214 11.5214 11.6446 11.6446 11.7067 11.7072 k = 0.3936 0.2273 0.1607 ( 1994 PWs) bands (ev): -10.7758 -10.7758 -0.5141 -0.5141 0.9648 0.9648 1.1765 1.1862 3.6760 3.6760 3.7686 3.8448 3.9857 3.9857 4.5959 4.6677 4.6912 4.6912 7.4145 7.4145 11.5872 11.5872 11.6415 11.6415 11.6993 11.6998 k = 0.4043 0.2334 0.1650 ( 1997 PWs) bands (ev): -10.7687 -10.7687 -0.5424 -0.5424 0.9641 0.9641 1.1767 1.1855 3.6736 3.6736 3.7753 3.8462 3.9745 3.9745 4.5860 4.6528 4.6814 4.6814 7.4226 7.4226 11.6233 11.6233 11.6649 11.6649 11.6920 11.6923 k = 0.4149 0.2395 0.1694 ( 1988 PWs) bands (ev): -10.7622 -10.7622 -0.5679 -0.5679 0.9635 0.9635 1.1769 1.1849 3.6712 3.6712 3.7822 3.8471 3.9648 3.9648 4.5775 4.6388 4.6726 4.6726 7.4293 7.4293 11.6220 11.6220 11.6850 11.6853 11.7220 11.7220 k = 0.4255 0.2457 0.1737 ( 1985 PWs) bands (ev): -10.7564 -10.7564 -0.5906 -0.5906 0.9630 0.9630 1.1772 1.1842 3.6689 3.6689 3.7890 3.8474 3.9565 3.9565 4.5704 4.6255 4.6645 4.6645 7.4347 7.4347 11.6172 11.6172 11.6784 11.6786 11.7778 11.7778 k = 0.4362 0.2518 0.1781 ( 1985 PWs) bands (ev): -10.7513 -10.7513 -0.6104 -0.6104 0.9625 0.9625 1.1775 1.1836 3.6666 3.6666 3.7958 3.8471 3.9494 3.9494 4.5647 4.6132 4.6575 4.6575 7.4391 7.4391 11.6124 11.6124 11.6723 11.6725 11.8284 11.8284 k = 0.4468 0.2580 0.1824 ( 1994 PWs) bands (ev): -10.7469 -10.7469 -0.6272 -0.6272 0.9621 0.9621 1.1778 1.1829 3.6645 3.6645 3.8024 3.8461 3.9435 3.9435 4.5606 4.6018 4.6514 4.6514 7.4424 7.4424 11.6079 11.6079 11.6670 11.6671 11.8726 11.8726 k = 0.4574 0.2641 0.1868 ( 1988 PWs) bands (ev): -10.7433 -10.7433 -0.6411 -0.6411 0.9617 0.9617 1.1782 1.1823 3.6628 3.6628 3.8089 3.8444 3.9389 3.9389 4.5580 4.5916 4.6464 4.6464 7.4450 7.4450 11.6041 11.6041 11.6624 11.6625 11.9098 11.9098 k = 0.4681 0.2702 0.1911 ( 1994 PWs) bands (ev): -10.7405 -10.7405 -0.6519 -0.6519 0.9615 0.9615 1.1786 1.1817 3.6613 3.6613 3.8150 3.8420 3.9354 3.9354 4.5569 4.5825 4.6424 4.6424 7.4469 7.4469 11.6010 11.6010 11.6588 11.6588 11.9393 11.9393 k = 0.4787 0.2764 0.1954 ( 1994 PWs) bands (ev): -10.7385 -10.7385 -0.6596 -0.6596 0.9613 0.9613 1.1790 1.1811 3.6602 3.6602 3.8208 3.8390 3.9329 3.9329 4.5575 4.5747 4.6395 4.6395 7.4482 7.4482 11.5987 11.5987 11.6561 11.6562 11.9607 11.9607 k = 0.4894 0.2825 0.1998 ( 2006 PWs) bands (ev): -10.7373 -10.7373 -0.6643 -0.6643 0.9612 0.9612 1.1795 1.1805 3.6594 3.6594 3.8261 3.8352 3.9314 3.9314 4.5595 4.5682 4.6378 4.6378 7.4490 7.4490 11.5973 11.5973 11.6545 11.6545 11.9737 11.9737 k = 0.5000 0.2887 0.2041 ( 2006 PWs) bands (ev): -10.7369 -10.7369 -0.6658 -0.6658 0.9611 0.9611 1.1800 1.1800 3.6592 3.6592 3.8310 3.8310 3.9309 3.9309 4.5631 4.5631 4.6372 4.6372 7.4492 7.4492 11.5968 11.5968 11.6540 11.6540 11.9780 11.9780 k = 0.5000 0.2887 0.2041 ( 2006 PWs) bands (ev): -10.7369 -10.7369 -0.6658 -0.6658 0.9611 0.9611 1.1800 1.1800 3.6592 3.6592 3.8310 3.8310 3.9309 3.9309 4.5631 4.5631 4.6372 4.6372 7.4492 7.4492 11.5968 11.5968 11.6540 11.6540 11.9780 11.9780 k = 0.5037 0.2781 0.2101 ( 2006 PWs) bands (ev): -10.7367 -10.7366 -0.6667 -0.6635 0.9580 0.9624 1.1791 1.1791 3.6561 3.6619 3.8309 3.8310 3.9279 3.9337 4.5618 4.5618 4.6361 4.6364 7.4518 7.4561 11.5899 11.5942 11.6498 11.6504 11.9822 11.9864 k = 0.5074 0.2674 0.2161 ( 1990 PWs) bands (ev): -10.7363 -10.7361 -0.6662 -0.6598 0.9529 0.9618 1.1763 1.1764 3.6527 3.6644 3.8310 3.8310 3.9246 3.9362 4.5578 4.5583 4.6332 4.6341 7.4638 7.4725 11.5672 11.5757 11.6462 11.6487 11.9973 12.0044 k = 0.5110 0.2568 0.2221 ( 1982 PWs) bands (ev): -10.7354 -10.7351 -0.6643 -0.6547 0.9458 0.9593 1.1719 1.1722 3.6489 3.6666 3.8310 3.8310 3.9209 3.9383 4.5508 4.5524 4.6282 4.6304 7.4850 7.4980 11.5256 11.5358 11.6534 11.6568 12.0184 12.0267 k = 0.5147 0.2462 0.2281 ( 1979 PWs) bands (ev): -10.7343 -10.7339 -0.6611 -0.6482 0.9365 0.9548 1.1659 1.1665 3.6448 3.6684 3.8310 3.8310 3.9169 3.9401 4.5407 4.5443 4.6215 4.6258 7.5151 7.5322 11.4715 11.4816 11.6695 11.6731 12.0413 12.0493 k = 0.5184 0.2356 0.2341 ( 1983 PWs) bands (ev): -10.7328 -10.7323 -0.6565 -0.6402 0.9248 0.9481 1.1586 1.1597 3.6402 3.6699 3.8308 3.8310 3.9126 3.9416 4.5275 4.5340 4.6133 4.6204 7.5535 7.5748 11.4094 11.4186 11.6921 11.6960 12.0631 12.0697 k = 0.5221 0.2250 0.2401 ( 1985 PWs) bands (ev): -10.7310 -10.7304 -0.6506 -0.6309 0.9105 0.9391 1.1503 1.1521 3.6353 3.6711 3.8306 3.8310 3.9080 3.9428 4.5114 4.5217 4.6039 4.6146 7.5996 7.6251 11.3425 11.3501 11.7205 11.7246 12.0822 12.0865 k = 0.5257 0.2144 0.2461 ( 1987 PWs) bands (ev): -10.7289 -10.7281 -0.6435 -0.6202 0.8935 0.9276 1.1414 1.1440 3.6299 3.6720 3.8303 3.8310 3.9033 3.9437 4.4929 4.5075 4.5937 4.6084 7.6528 7.6824 11.2723 11.2781 11.7541 11.7586 12.0981 12.0992 k = 0.5294 0.2038 0.2522 ( 1987 PWs) bands (ev): -10.7264 -10.7256 -0.6351 -0.6082 0.8737 0.9133 1.1322 1.1357 3.6243 3.6727 3.8299 3.8311 3.8984 3.9443 4.4724 4.4916 4.5828 4.6016 7.7124 7.7459 11.2003 11.2038 11.7927 11.7976 12.1077 12.1104 k = 0.5331 0.1932 0.2582 ( 1985 PWs) bands (ev): -10.7237 -10.7228 -0.6256 -0.5948 0.8510 0.8962 1.1231 1.1274 3.6183 3.6731 3.8293 3.8311 3.8936 3.9447 4.4503 4.4744 4.5714 4.5945 7.7775 7.8149 11.1274 11.1284 11.8361 11.8416 12.1120 12.1195 k = 0.5368 0.1825 0.2642 ( 1985 PWs) bands (ev): -10.7207 -10.7197 -0.6149 -0.5802 0.8255 0.8763 1.1143 1.1193 3.6119 3.6732 3.8284 3.8312 3.8888 3.9448 4.4270 4.4560 4.5596 4.5868 7.8473 7.8885 11.0527 11.0545 11.8839 11.8902 12.1128 12.1258 k = 0.5404 0.1719 0.2702 ( 1985 PWs) bands (ev): -10.7175 -10.7164 -0.6033 -0.5643 0.7972 0.8536 1.1059 1.1114 3.6053 3.6731 3.8269 3.8314 3.8845 3.9446 4.4030 4.4370 4.5474 4.5787 7.9209 7.9659 10.9773 10.9823 11.9356 11.9430 12.1107 12.1302 k = 0.5441 0.1613 0.2762 ( 1985 PWs) bands (ev): -10.7140 -10.7129 -0.5906 -0.5473 0.7664 0.8284 1.0981 1.1039 3.5983 3.6728 3.8248 3.8315 3.8806 3.9442 4.3785 4.4176 4.5348 4.5700 7.9975 8.0459 10.9029 10.9115 11.9900 11.9992 12.1070 12.1343 k = 0.5478 0.1507 0.2822 ( 1989 PWs) bands (ev): -10.7103 -10.7091 -0.5771 -0.5291 0.7334 0.8010 1.0908 1.0968 3.5911 3.6722 3.8219 3.8318 3.8775 3.9435 4.3538 4.3981 4.5219 4.5609 8.0760 8.1278 10.8300 10.8425 12.0439 12.0542 12.1068 12.1417 k = 0.5515 0.1401 0.2882 ( 1985 PWs) bands (ev): -10.7065 -10.7052 -0.5629 -0.5099 0.6984 0.7716 1.0839 1.0900 3.5838 3.6715 3.8181 3.8321 3.8755 3.9426 4.3292 4.3788 4.5087 4.5514 8.1554 8.2103 10.7591 10.7760 12.0778 12.0857 12.1410 12.1648 k = 0.5551 0.1295 0.2942 ( 1985 PWs) bands (ev): -10.7024 -10.7011 -0.5480 -0.4897 0.6617 0.7408 1.0775 1.0835 3.5762 3.6704 3.8134 3.8324 3.8744 3.9414 4.3048 4.3598 4.4953 4.5414 8.2348 8.2926 10.6905 10.7124 12.0744 12.1040 12.2058 12.2156 k = 0.5588 0.1189 0.3002 ( 1986 PWs) bands (ev): -10.6983 -10.6968 -0.5326 -0.4687 0.6238 0.7089 1.0715 1.0773 3.5686 3.6692 3.8080 3.8329 3.8742 3.9399 4.2809 4.3414 4.4817 4.5311 8.3132 8.3733 10.6247 10.6521 12.0682 12.1111 12.2776 12.2822 k = 0.5625 0.1083 0.3062 ( 1986 PWs) bands (ev): -10.6940 -10.6925 -0.5169 -0.4469 0.5849 0.6764 1.0658 1.0713 3.5609 3.6677 3.8019 3.8334 3.8750 3.9380 4.2576 4.3238 4.4678 4.5205 8.3893 8.4514 10.5619 10.5955 12.0631 12.1168 12.3534 12.3556 k = 0.5662 0.0976 0.3122 ( 1982 PWs) bands (ev): -10.6897 -10.6881 -0.5011 -0.4245 0.5455 0.6436 1.0603 1.0656 3.5532 3.6660 3.7955 3.8340 3.8766 3.9359 4.2348 4.3071 4.4539 4.5096 8.4623 8.5257 10.5024 10.5428 12.0606 12.1244 12.4324 12.4334 k = 0.5699 0.0870 0.3182 ( 1983 PWs) bands (ev): -10.6853 -10.6837 -0.4853 -0.4017 0.5059 0.6111 1.0550 1.0601 3.5456 3.6640 3.7889 3.8347 3.8788 3.9333 4.2127 4.2914 4.4398 4.4985 8.5310 8.5949 10.4462 10.4941 12.0620 12.1356 12.5140 12.5142 k = 0.5735 0.0764 0.3242 ( 1982 PWs) bands (ev): -10.6809 -10.6792 -0.4698 -0.3787 0.4666 0.5793 1.0499 1.0547 3.5382 3.6619 3.7824 3.8355 3.8817 3.9305 4.1913 4.2767 4.4257 4.4872 8.5945 8.6582 10.3935 10.4495 12.0686 12.1516 12.5975 12.5978 k = 0.5772 0.0658 0.3302 ( 1985 PWs) bands (ev): -10.6765 -10.6748 -0.4549 -0.3559 0.4280 0.5486 1.0450 1.0495 3.5309 3.6595 3.7760 3.8364 3.8851 3.9271 4.1706 4.2632 4.4116 4.4757 8.6518 8.7144 10.3441 10.4087 12.0814 12.1737 12.6827 12.6833 k = 0.5809 0.0552 0.3362 ( 1984 PWs) bands (ev): -10.6722 -10.6704 -0.4408 -0.3334 0.3908 0.5196 1.0401 1.0445 3.5240 3.6569 3.7701 3.8375 3.8889 3.9234 4.1506 4.2509 4.3975 4.4641 8.7024 8.7629 10.2979 10.3714 12.1017 12.2026 12.7693 12.7701 k = 0.5846 0.0446 0.3422 ( 1984 PWs) bands (ev): -10.6679 -10.6661 -0.4279 -0.3119 0.3554 0.4928 1.0354 1.0396 3.5174 3.6542 3.7646 3.8387 3.8932 3.9192 4.1313 4.2399 4.3835 4.4526 8.7456 8.8032 10.2545 10.3369 12.1302 12.2390 12.8569 12.8578 k = 0.5882 0.0340 0.3482 ( 1986 PWs) bands (ev): -10.6637 -10.6619 -0.4165 -0.2918 0.3227 0.4686 1.0308 1.0348 3.5112 3.6513 3.7596 3.8400 3.8980 3.9145 4.1127 4.2301 4.3697 4.4410 8.7814 8.8354 10.2135 10.3044 12.1676 12.2835 12.9447 12.9457 k = 0.5919 0.0233 0.3542 ( 1986 PWs) bands (ev): -10.6597 -10.6579 -0.4069 -0.2739 0.2935 0.4475 1.0264 1.0303 3.5054 3.6483 3.7553 3.8415 3.9030 3.9094 4.0948 4.2217 4.3560 4.4295 8.8098 8.8595 10.1743 10.2732 12.2143 12.3361 13.0323 13.0334 k = 0.5956 0.0127 0.3602 ( 1982 PWs) bands (ev): -10.6559 -10.6540 -0.3994 -0.2588 0.2686 0.4299 1.0220 1.0258 3.5003 3.6454 3.7517 3.8430 3.9039 3.9085 4.0776 4.2145 4.3426 4.4181 8.8309 8.8761 10.1364 10.2423 12.2701 12.3968 13.1191 13.1202 k = 0.5993 0.0021 0.3662 ( 1982 PWs) bands (ev): -10.6523 -10.6504 -0.3943 -0.2476 0.2490 0.4161 1.0178 1.0216 3.4958 3.6425 3.7488 3.8446 3.8981 3.9142 4.0610 4.2086 4.3295 4.4069 8.8455 8.8859 10.0992 10.2109 12.3344 12.4648 13.2044 13.2054 k = 0.6029-0.0085 0.3722 ( 1980 PWs) bands (ev): -10.6489 -10.6470 -0.3916 -0.2410 0.2356 0.4065 1.0137 1.0176 3.4919 3.6398 3.7466 3.8462 3.8921 3.9203 4.0451 4.2040 4.3167 4.3959 8.8540 8.8897 10.0621 10.1784 12.4061 12.5391 13.2874 13.2885 k = 0.6066-0.0191 0.3782 ( 1980 PWs) bands (ev): -10.6458 -10.6439 -0.3914 -0.2395 0.2291 0.4010 1.0098 1.0137 3.4888 3.6373 3.7451 3.8475 3.8861 3.9266 4.0300 4.2005 4.3043 4.3851 8.8574 8.8886 10.0246 10.1443 12.4833 12.6179 13.3676 13.3687 k = 0.6103-0.0297 0.3842 ( 1977 PWs) bands (ev): -10.6430 -10.6411 -0.3937 -0.2431 0.2294 0.3998 1.0061 1.0101 3.4864 3.6351 3.7443 3.8481 3.8808 3.9331 4.0155 4.1982 4.2924 4.3746 8.8564 8.8833 9.9865 10.1082 12.5637 12.6987 13.4443 13.4453 k = 0.6140-0.0403 0.3902 ( 1979 PWs) bands (ev): -10.6406 -10.6387 -0.3982 -0.2514 0.2363 0.4025 1.0026 1.0067 3.4849 3.6334 3.7441 3.8473 3.8767 3.9397 4.0019 4.1968 4.2809 4.3645 8.8517 8.8748 9.9474 10.0701 12.6437 12.7779 13.5167 13.5179 k = 0.6176-0.0509 0.3962 ( 1977 PWs) bands (ev): -10.6385 -10.6366 -0.4047 -0.2636 0.2489 0.4091 0.9992 1.0036 3.4843 3.6321 3.7445 3.8444 3.8748 3.9463 3.9894 4.1965 4.2700 4.3548 8.8442 8.8637 9.9073 10.0300 12.7191 12.8511 13.5844 13.5857 k = 0.6213-0.0616 0.4022 ( 1981 PWs) bands (ev): -10.6368 -10.6349 -0.4127 -0.2786 0.2661 0.4191 0.9961 1.0007 3.4845 3.6313 3.7455 3.8394 3.8750 3.9521 3.9787 4.1970 4.2598 4.3454 8.8345 8.8508 9.8662 9.9880 12.7847 12.9127 13.6466 13.6483 k = 0.6250-0.0722 0.4082 ( 2003 PWs) bands (ev): -10.6355 -10.6337 -0.4219 -0.2955 0.2870 0.4320 0.9933 0.9981 3.4855 3.6308 3.7470 3.8328 3.8768 3.9540 3.9728 4.1981 4.2504 4.3365 8.8231 8.8365 9.8240 9.9443 12.8353 12.9573 13.7029 13.7051 k = 0.6250-0.0722 0.4082 ( 2003 PWs) bands (ev): -10.6355 -10.6337 -0.4219 -0.2955 0.2870 0.4320 0.9933 0.9981 3.4855 3.6308 3.7470 3.8328 3.8768 3.9540 3.9728 4.1981 4.2504 4.3365 8.8231 8.8365 9.8240 9.9443 12.8353 12.9573 13.7029 13.7051 k = 0.6188-0.0686 0.4185 ( 1979 PWs) bands (ev): -10.6355 -10.6336 -0.4213 -0.2947 0.2866 0.4319 0.9923 0.9972 3.4858 3.6309 3.7469 3.8324 3.8768 3.9543 3.9725 4.1970 4.2503 4.3379 8.8275 8.8418 9.8244 9.9446 12.8275 12.9499 13.6361 13.6783 k = 0.6125-0.0650 0.4287 ( 1979 PWs) bands (ev): -10.6353 -10.6334 -0.4198 -0.2923 0.2854 0.4316 0.9894 0.9945 3.4863 3.6307 3.7463 3.8307 3.8761 3.9547 3.9712 4.1932 4.2499 4.3416 8.8405 8.8575 9.8254 9.9453 12.8041 12.9275 13.5387 13.5978 k = 0.6062-0.0613 0.4389 ( 1981 PWs) bands (ev): -10.6351 -10.6332 -0.4173 -0.2885 0.2834 0.4310 0.9847 0.9900 3.4872 3.6303 3.7452 3.8280 3.8749 3.9548 3.9697 4.1869 4.2500 4.3469 8.8623 8.8831 9.8270 9.9465 12.7658 12.8897 13.4399 13.5087 k = 0.6000-0.0577 0.4491 ( 1981 PWs) bands (ev): -10.6347 -10.6328 -0.4137 -0.2831 0.2805 0.4301 0.9782 0.9839 3.4885 3.6297 3.7438 3.8246 3.8733 3.9539 3.9689 4.1784 4.2509 4.3532 8.8927 8.9181 9.8292 9.9481 12.7139 12.8364 13.3463 13.4213 k = 0.5938-0.0541 0.4593 ( 1977 PWs) bands (ev): -10.6343 -10.6324 -0.4093 -0.2762 0.2766 0.4289 0.9703 0.9763 3.4901 3.6288 3.7421 3.8207 3.8710 3.9515 3.9694 4.1684 4.2526 4.3599 8.9314 8.9620 9.8321 9.9502 12.6500 12.7686 13.2600 13.3379 k = 0.5875-0.0505 0.4695 ( 1977 PWs) bands (ev): -10.6337 -10.6318 -0.4040 -0.2678 0.2717 0.4274 0.9610 0.9674 3.4919 3.6273 3.7403 3.8164 3.8680 3.9477 3.9712 4.1574 4.2549 4.3665 8.9777 9.0143 9.8357 9.9527 12.5764 12.6883 13.1809 13.2586 k = 0.5813-0.0469 0.4797 ( 1982 PWs) bands (ev): -10.6332 -10.6312 -0.3979 -0.2579 0.2656 0.4253 0.9507 0.9574 3.4941 3.6253 3.7383 3.8120 3.8642 3.9434 3.9738 4.1459 4.2576 4.3728 9.0310 9.0742 9.8401 9.9555 12.4953 12.5986 13.1075 13.1832 k = 0.5750-0.0433 0.4899 ( 1982 PWs) bands (ev): -10.6325 -10.6305 -0.3911 -0.2467 0.2582 0.4228 0.9396 0.9467 3.4966 3.6226 3.7366 3.8077 3.8595 3.9389 3.9769 4.1343 4.2605 4.3786 9.0903 9.1409 9.8454 9.9587 12.4091 12.5029 13.0382 13.1111 k = 0.5687-0.0397 0.5001 ( 1978 PWs) bands (ev): -10.6318 -10.6298 -0.3838 -0.2341 0.2495 0.4198 0.9282 0.9355 3.4993 3.6190 3.7353 3.8036 3.8540 3.9347 3.9803 4.1229 4.2634 4.3839 9.1544 9.2134 9.8517 9.9622 12.3202 12.4044 12.9715 13.0419 k = 0.5625-0.0361 0.5103 ( 1980 PWs) bands (ev): -10.6310 -10.6290 -0.3759 -0.2202 0.2394 0.4161 0.9166 0.9242 3.5023 3.6146 3.7347 3.7997 3.8476 3.9309 3.9838 4.1120 4.2662 4.3885 9.2218 9.2906 9.8593 9.9661 12.2304 12.3056 12.9068 12.9752 k = 0.5563-0.0325 0.5205 ( 1977 PWs) bands (ev): -10.6303 -10.6282 -0.3678 -0.2050 0.2277 0.4119 0.9053 0.9130 3.5055 3.6094 3.7348 3.7961 3.8405 3.9276 3.9875 4.1017 4.2688 4.3926 9.2908 9.3708 9.8686 9.9705 12.1417 12.2089 12.8436 12.9110 k = 0.5500-0.0289 0.5307 ( 1981 PWs) bands (ev): -10.6295 -10.6274 -0.3595 -0.1888 0.2145 0.4071 0.8945 0.9023 3.5088 3.6035 3.7357 3.7927 3.8329 3.9248 3.9912 4.0920 4.2711 4.3960 9.3593 9.4524 9.8801 9.9755 12.0556 12.1163 12.7823 12.8494 k = 0.5437-0.0253 0.5409 ( 1975 PWs) bands (ev): -10.6288 -10.6267 -0.3514 -0.1717 0.1998 0.4018 0.8845 0.8923 3.5123 3.5972 3.7375 3.7896 3.8252 3.9225 3.9950 4.0832 4.2732 4.3989 9.4247 9.5330 9.8946 9.9814 11.9738 12.0297 12.7233 12.7908 k = 0.5375-0.0217 0.5511 ( 1977 PWs) bands (ev): -10.6280 -10.6259 -0.3435 -0.1538 0.1838 0.3962 0.8756 0.8834 3.5157 3.5907 3.7400 3.7865 3.8175 3.9206 3.9987 4.0752 4.2749 4.4011 9.4843 9.6097 9.9127 9.9887 11.8979 11.9511 12.6674 12.7357 k = 0.5312-0.0180 0.5613 ( 1979 PWs) bands (ev): -10.6274 -10.6252 -0.3361 -0.1355 0.1667 0.3905 0.8679 0.8756 3.5191 3.5843 3.7432 3.7835 3.8102 3.9190 4.0021 4.0682 4.2763 4.4029 9.5354 9.6789 9.9349 9.9980 11.8297 11.8823 12.6155 12.6850 k = 0.5250-0.0144 0.5715 ( 1972 PWs) bands (ev): -10.6268 -10.6246 -0.3296 -0.1172 0.1493 0.3851 0.8616 0.8692 3.5223 3.5784 3.7471 3.7805 3.8037 3.9178 4.0054 4.0621 4.2773 4.4043 9.5761 9.7366 9.9609 10.0099 11.7714 11.8251 12.5689 12.6396 k = 0.5188-0.0108 0.5818 ( 1972 PWs) bands (ev): -10.6263 -10.6241 -0.3241 -0.0998 0.1322 0.3801 0.8568 0.8642 3.5252 3.5732 3.7512 3.7774 3.7981 3.9168 4.0082 4.0571 4.2781 4.4053 9.6059 9.7797 9.9883 10.0241 11.7249 11.7807 12.5290 12.6008 k = 0.5125-0.0072 0.5920 ( 1972 PWs) bands (ev): -10.6259 -10.6237 -0.3199 -0.0846 0.1170 0.3761 0.8534 0.8607 3.5273 3.5692 3.7553 3.7741 3.7939 3.9161 4.0104 4.0534 4.2786 4.4059 9.6254 9.8074 10.0131 10.0387 11.6919 11.7500 12.4976 12.5703 k = 0.5062-0.0036 0.6022 ( 1972 PWs) bands (ev): -10.6256 -10.6234 -0.3173 -0.0736 0.1059 0.3734 0.8514 0.8587 3.5287 3.5667 3.7589 3.7713 3.7913 3.9157 4.0118 4.0511 4.2789 4.4062 9.6361 9.8219 10.0299 10.0507 11.6730 11.7327 12.4769 12.5501 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -10.6255 -10.6234 -0.3164 -0.0695 0.1017 0.3725 0.8507 0.8580 3.5292 3.5660 3.7604 3.7700 3.7904 3.9155 4.0123 4.0504 4.2790 4.4064 9.6394 9.8262 10.0358 10.0556 11.6673 11.7275 12.4695 12.5428 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -10.6255 -10.6234 -0.3164 -0.0695 0.1017 0.3725 0.8507 0.8580 3.5292 3.5660 3.7604 3.7700 3.7904 3.9155 4.0123 4.0504 4.2790 4.4064 9.6394 9.8262 10.0358 10.0556 11.6673 11.7275 12.4695 12.5428 k = 0.5000 0.0074 0.6019 ( 1974 PWs) bands (ev): -10.6257 -10.6235 -0.3165 -0.0697 0.1016 0.3723 0.8517 0.8590 3.5281 3.5674 3.7595 3.7701 3.7920 3.9159 4.0114 4.0518 4.2792 4.4066 9.6365 9.8222 10.0369 10.0578 11.6608 11.7208 12.4811 12.5548 k = 0.5000 0.0148 0.5914 ( 1974 PWs) bands (ev): -10.6263 -10.6241 -0.3169 -0.0703 0.1015 0.3718 0.8546 0.8620 3.5257 3.5712 3.7572 3.7707 3.7963 3.9170 4.0091 4.0556 4.2801 4.4076 9.6278 9.8107 10.0405 10.0640 11.6430 11.7023 12.5147 12.5893 k = 0.5000 0.0222 0.5810 ( 1974 PWs) bands (ev): -10.6272 -10.6250 -0.3175 -0.0717 0.1019 0.3713 0.8593 0.8669 3.5226 3.5767 3.7544 3.7720 3.8022 3.9188 4.0062 4.0612 4.2816 4.4091 9.6135 9.7922 10.0466 10.0730 11.6173 11.6753 12.5668 12.6428 k = 0.5000 0.0296 0.5705 ( 1974 PWs) bands (ev): -10.6285 -10.6263 -0.3185 -0.0748 0.1037 0.3710 0.8657 0.8734 3.5194 3.5832 3.7516 3.7739 3.8091 3.9210 4.0034 4.0682 4.2836 4.4113 9.5937 9.7673 10.0551 10.0838 11.5878 11.6439 12.6334 12.7110 k = 0.5000 0.0370 0.5600 ( 1972 PWs) bands (ev): -10.6302 -10.6280 -0.3202 -0.0802 0.1078 0.3713 0.8736 0.8814 3.5165 3.5901 3.7492 3.7763 3.8166 3.9234 4.0014 4.0761 4.2863 4.4142 9.5686 9.7366 10.0658 10.0957 11.5582 11.6116 12.7105 12.7900 k = 0.5000 0.0444 0.5496 ( 1974 PWs) bands (ev): -10.6321 -10.6300 -0.3226 -0.0884 0.1150 0.3725 0.8827 0.8906 3.5141 3.5972 3.7475 3.7791 3.8246 3.9256 4.0008 4.0849 4.2896 4.4175 9.5382 9.7003 10.0784 10.1084 11.5312 11.5813 12.7948 12.8765 k = 0.5000 0.0518 0.5391 ( 1970 PWs) bands (ev): -10.6345 -10.6323 -0.3259 -0.0999 0.1258 0.3751 0.8928 0.9007 3.5124 3.6043 3.7464 3.7823 3.8328 3.9270 4.0022 4.0945 4.2936 4.4215 9.5025 9.6585 10.0927 10.1216 11.5087 11.5550 12.8834 12.9677 k = 0.5000 0.0592 0.5286 ( 1972 PWs) bands (ev): -10.6371 -10.6350 -0.3304 -0.1144 0.1403 0.3795 0.9037 0.9115 3.5113 3.6112 3.7461 3.7857 3.8413 3.9273 4.0058 4.1050 4.2983 4.4261 9.4615 9.6111 10.1087 10.1357 11.4919 11.5340 12.9734 13.0608 k = 0.5000 0.0666 0.5182 ( 1968 PWs) bands (ev): -10.6400 -10.6379 -0.3362 -0.1317 0.1584 0.3861 0.9151 0.9228 3.5110 3.6178 3.7466 3.7891 3.8501 3.9264 4.0120 4.1164 4.3038 4.4312 9.4151 9.5583 10.1264 10.1507 11.4815 11.5193 13.0616 13.1530 k = 0.5000 0.0740 0.5077 ( 1980 PWs) bands (ev): -10.6432 -10.6411 -0.3433 -0.1513 0.1799 0.3950 0.9269 0.9344 3.5113 3.6239 3.7477 3.7925 3.8588 3.9243 4.0204 4.1287 4.3099 4.4367 9.3634 9.5001 10.1459 10.1672 11.4775 11.5111 13.1438 13.2401 k = 0.5000 0.0814 0.4972 ( 1978 PWs) bands (ev): -10.6466 -10.6446 -0.3520 -0.1728 0.2043 0.4066 0.9389 0.9461 3.5124 3.6297 3.7496 3.7959 3.8676 3.9213 4.0311 4.1419 4.3170 4.4428 9.3066 9.4367 10.1676 10.1855 11.4798 11.5098 13.2146 13.3168 k = 0.5000 0.0888 0.4868 ( 1980 PWs) bands (ev): -10.6503 -10.6483 -0.3620 -0.1957 0.2315 0.4209 0.9508 0.9578 3.5142 3.6351 3.7523 3.7990 3.8763 3.9178 4.0436 4.1559 4.3248 4.4493 9.2447 9.3685 10.1915 10.2061 11.4879 11.5152 13.2668 13.3753 k = 0.5000 0.0962 0.4763 ( 1984 PWs) bands (ev): -10.6542 -10.6522 -0.3735 -0.2197 0.2610 0.4378 0.9627 0.9693 3.5167 3.6400 3.7557 3.8020 3.8846 3.9138 4.0577 4.1708 4.3335 4.4563 9.1782 9.2956 10.2178 10.2293 11.5011 11.5269 13.2924 13.4061 k = 0.5000 0.1036 0.4658 ( 1982 PWs) bands (ev): -10.6582 -10.6563 -0.3863 -0.2445 0.2926 0.4574 0.9743 0.9806 3.5199 3.6445 3.7597 3.8048 3.8924 3.9099 4.0735 4.1865 4.3431 4.4637 9.1074 9.2186 10.2469 10.2557 11.5186 11.5445 13.2857 13.4017 k = 0.5000 0.1110 0.4554 ( 1990 PWs) bands (ev): -10.6624 -10.6605 -0.4002 -0.2697 0.3261 0.4795 0.9855 0.9917 3.5236 3.6485 3.7643 3.8074 3.8986 3.9068 4.0906 4.2028 4.3534 4.4715 9.0327 9.1380 10.2785 10.2855 11.5399 11.5672 13.2467 13.3609 k = 0.5000 0.1184 0.4449 ( 1992 PWs) bands (ev): -10.6667 -10.6648 -0.4150 -0.2952 0.3610 0.5038 0.9965 1.0024 3.5280 3.6522 3.7695 3.8098 3.8989 3.9090 4.1090 4.2197 4.3647 4.4796 8.9545 9.0541 10.3129 10.3192 11.5643 11.5940 13.1813 13.2909 k = 0.5000 0.1258 0.4344 ( 1994 PWs) bands (ev): -10.6711 -10.6693 -0.4307 -0.3207 0.3973 0.5302 1.0070 1.0127 3.5329 3.6555 3.7751 3.8120 3.8955 3.9144 4.1288 4.2371 4.3768 4.4880 8.8733 8.9675 10.3501 10.3568 11.5912 11.6241 13.0977 13.2014 k = 0.5000 0.1332 0.4240 ( 1990 PWs) bands (ev): -10.6756 -10.6738 -0.4469 -0.3461 0.4346 0.5582 1.0171 1.0227 3.5383 3.6585 3.7811 3.8140 3.8917 3.9197 4.1497 4.2549 4.3898 4.4967 8.7897 8.8788 10.3905 10.3984 11.6202 11.6565 13.0031 13.1008 k = 0.5000 0.1406 0.4135 ( 1994 PWs) bands (ev): -10.6801 -10.6784 -0.4635 -0.3711 0.4725 0.5876 1.0267 1.0323 3.5441 3.6611 3.7873 3.8159 3.8881 3.9245 4.1716 4.2730 4.4033 4.5055 8.7041 8.7882 10.4343 10.4436 11.6503 11.6903 12.9030 12.9951 k = 0.5000 0.1480 0.4030 ( 1994 PWs) bands (ev): -10.6846 -10.6829 -0.4802 -0.3957 0.5110 0.6181 1.0360 1.0416 3.5503 3.6635 3.7938 3.8177 3.8847 3.9286 4.1945 4.2913 4.4175 4.5144 8.6170 8.6963 10.4816 10.4923 11.6808 11.7247 12.8014 12.8884 k = 0.5000 0.1554 0.3925 ( 1990 PWs) bands (ev): -10.6890 -10.6874 -0.4970 -0.4197 0.5495 0.6492 1.0449 1.0506 3.5568 3.6656 3.8002 3.8194 3.8818 3.9322 4.2182 4.3099 4.4322 4.5235 8.5289 8.6037 10.5325 10.5445 11.7110 11.7587 12.7008 12.7835 k = 0.5000 0.1628 0.3821 ( 1988 PWs) bands (ev): -10.6935 -10.6919 -0.5137 -0.4429 0.5879 0.6806 1.0535 1.0593 3.5636 3.6674 3.8065 3.8209 3.8795 3.9352 4.2426 4.3286 4.4472 4.5325 8.4403 8.5108 10.5869 10.6000 11.7400 11.7914 12.6034 12.6821 k = 0.5000 0.1702 0.3716 ( 1988 PWs) bands (ev): -10.6978 -10.6963 -0.5300 -0.4654 0.6258 0.7120 1.0619 1.0678 3.5705 3.6689 3.8123 3.8223 3.8779 3.9378 4.2676 4.3475 4.4624 4.5415 8.3518 8.4180 10.6447 10.6587 11.7666 11.8219 12.5107 12.5860 k = 0.5000 0.1776 0.3611 ( 1988 PWs) bands (ev): -10.7020 -10.7006 -0.5458 -0.4870 0.6628 0.7428 1.0702 1.0761 3.5775 3.6702 3.8175 3.8237 3.8771 3.9398 4.2931 4.3666 4.4777 4.5504 8.2639 8.3259 10.7057 10.7204 11.7899 11.8487 12.4242 12.4964 k = 0.5000 0.1850 0.3507 ( 1990 PWs) bands (ev): -10.7061 -10.7048 -0.5611 -0.5077 0.6987 0.7727 1.0784 1.0844 3.5845 3.6713 3.8219 3.8250 3.8773 3.9415 4.3189 4.3857 4.4930 4.5590 8.1772 8.2351 10.7695 10.7849 11.8083 11.8702 12.3456 12.4146 k = 0.5000 0.1925 0.3402 ( 1986 PWs) bands (ev): -10.7100 -10.7087 -0.5757 -0.5273 0.7332 0.8014 1.0867 1.0926 3.5915 3.6722 3.8249 3.8266 3.8787 3.9428 4.3448 4.4049 4.5081 4.5675 8.0922 8.1461 10.8361 10.8519 11.8207 11.8845 12.2768 12.3420 k = 0.5000 0.1999 0.3297 ( 1986 PWs) bands (ev): -10.7137 -10.7125 -0.5894 -0.5457 0.7658 0.8283 1.0951 1.1009 3.5985 3.6728 3.8264 3.8285 3.8812 3.9437 4.3708 4.4238 4.5230 4.5756 8.0096 8.0595 10.9049 10.9211 11.8252 11.8888 12.2201 12.2796 k = 0.5000 0.2073 0.3193 ( 1984 PWs) bands (ev): -10.7172 -10.7161 -0.6023 -0.5630 0.7963 0.8531 1.1038 1.1092 3.6052 3.6731 3.8274 3.8300 3.8847 3.9443 4.3964 4.4425 4.5375 4.5833 7.9301 7.9759 10.9757 10.9920 11.8209 11.8809 12.1772 12.2285 k = 0.5000 0.2147 0.3088 ( 1984 PWs) bands (ev): -10.7205 -10.7195 -0.6141 -0.5791 0.8245 0.8756 1.1128 1.1177 3.6118 3.6732 3.8282 3.8309 3.8889 3.9446 4.4215 4.4607 4.5516 4.5906 7.8542 7.8961 11.0478 11.0643 11.8077 11.8608 12.1478 12.1883 k = 0.5000 0.2221 0.2983 ( 1984 PWs) bands (ev): -10.7235 -10.7226 -0.6249 -0.5940 0.8500 0.8955 1.1221 1.1263 3.6181 3.6731 3.8289 3.8313 3.8935 3.9446 4.4458 4.4780 4.5651 4.5975 7.7827 7.8206 11.1208 11.1373 11.7870 11.8315 12.1283 12.1573 k = 0.5000 0.2295 0.2879 ( 1990 PWs) bands (ev): -10.7263 -10.7255 -0.6346 -0.6075 0.8728 0.9127 1.1315 1.1349 3.6241 3.6727 3.8295 3.8314 3.8983 3.9443 4.4687 4.4944 4.5780 4.6039 7.7163 7.7502 11.1940 11.2103 11.7614 11.7977 12.1138 12.1327 k = 0.5000 0.2369 0.2774 ( 1988 PWs) bands (ev): -10.7287 -10.7280 -0.6431 -0.6197 0.8928 0.9271 1.1408 1.1435 3.6297 3.6720 3.8299 3.8314 3.9031 3.9437 4.4901 4.5094 4.5903 4.6100 7.6557 7.6855 11.2665 11.2827 11.7341 11.7633 12.1000 12.1116 k = 0.5000 0.2443 0.2669 ( 1988 PWs) bands (ev): -10.7309 -10.7303 -0.6504 -0.6305 0.9099 0.9387 1.1499 1.1517 3.6351 3.6711 3.8303 3.8313 3.9079 3.9428 4.5094 4.5229 4.6016 4.6157 7.6017 7.6274 11.3374 11.3532 11.7075 11.7308 12.0840 12.0918 k = 0.5000 0.2517 0.2565 ( 1986 PWs) bands (ev): -10.7327 -10.7322 -0.6563 -0.6399 0.9244 0.9479 1.1583 1.1594 3.6401 3.6699 3.8306 3.8312 3.9125 3.9416 4.5261 4.5347 4.6119 4.6211 7.5549 7.5764 11.4052 11.4205 11.6835 11.7020 12.0644 12.0718 k = 0.5000 0.2591 0.2460 ( 1988 PWs) bands (ev): -10.7343 -10.7338 -0.6610 -0.6480 0.9362 0.9547 1.1657 1.1663 3.6446 3.6684 3.8308 3.8311 3.9168 3.9401 4.5398 4.5446 4.6207 4.6260 7.5160 7.5333 11.4683 11.4827 11.6638 11.6779 12.0421 12.0503 k = 0.5000 0.2665 0.2355 ( 1986 PWs) bands (ev): -10.7354 -10.7351 -0.6643 -0.6546 0.9456 0.9593 1.1718 1.1721 3.6489 3.6666 3.8309 3.8311 3.9208 3.9384 4.5504 4.5525 4.6279 4.6305 7.4856 7.4986 11.5236 11.5365 11.6499 11.6599 12.0189 12.0272 k = 0.5000 0.2739 0.2251 ( 1988 PWs) bands (ev): -10.7363 -10.7361 -0.6662 -0.6598 0.9529 0.9618 1.1763 1.1764 3.6527 3.6645 3.8310 3.8310 3.9245 3.9362 4.5577 4.5583 4.6331 4.6341 7.4641 7.4728 11.5663 11.5759 11.6446 11.6501 11.9975 12.0047 k = 0.5000 0.2813 0.2146 ( 2006 PWs) bands (ev): -10.7367 -10.7366 -0.6667 -0.6635 0.9580 0.9624 1.1790 1.1791 3.6561 3.6620 3.8309 3.8310 3.9279 3.9337 4.5618 4.5618 4.6361 4.6364 7.4519 7.4562 11.5898 11.5942 11.6495 11.6506 11.9823 11.9865 k = 0.5000 0.2887 0.2041 ( 2006 PWs) bands (ev): -10.7369 -10.7369 -0.6658 -0.6658 0.9611 0.9611 1.1800 1.1800 3.6592 3.6592 3.8310 3.8310 3.9309 3.9309 4.5631 4.5631 4.6372 4.6372 7.4492 7.4492 11.5968 11.5968 11.6540 11.6540 11.9780 11.9780 k = 0.5000 0.2887 0.2041 ( 2006 PWs) bands (ev): -10.7369 -10.7369 -0.6658 -0.6658 0.9611 0.9611 1.1800 1.1800 3.6592 3.6592 3.8310 3.8310 3.9309 3.9309 4.5631 4.5631 4.6372 4.6372 7.4492 7.4492 11.5968 11.5968 11.6540 11.6540 11.9780 11.9780 k = 0.4963 0.2866 0.2161 ( 2006 PWs) bands (ev): -10.7367 -10.7366 -0.6667 -0.6635 0.9580 0.9624 1.1791 1.1791 3.6561 3.6619 3.8309 3.8310 3.9279 3.9337 4.5618 4.5618 4.6361 4.6364 7.4518 7.4561 11.5899 11.5942 11.6498 11.6504 11.9822 11.9864 k = 0.4926 0.2844 0.2281 ( 1990 PWs) bands (ev): -10.7363 -10.7361 -0.6662 -0.6598 0.9529 0.9618 1.1763 1.1764 3.6527 3.6644 3.8310 3.8310 3.9246 3.9362 4.5578 4.5583 4.6332 4.6341 7.4638 7.4725 11.5672 11.5757 11.6462 11.6487 11.9973 12.0044 k = 0.4890 0.2823 0.2401 ( 1982 PWs) bands (ev): -10.7354 -10.7351 -0.6643 -0.6547 0.9458 0.9593 1.1719 1.1722 3.6489 3.6666 3.8310 3.8310 3.9209 3.9383 4.5508 4.5524 4.6282 4.6304 7.4850 7.4980 11.5256 11.5358 11.6534 11.6568 12.0184 12.0267 k = 0.4853 0.2802 0.2522 ( 1979 PWs) bands (ev): -10.7343 -10.7339 -0.6611 -0.6482 0.9365 0.9548 1.1659 1.1665 3.6448 3.6684 3.8310 3.8310 3.9169 3.9401 4.5407 4.5443 4.6215 4.6258 7.5151 7.5322 11.4715 11.4816 11.6695 11.6731 12.0413 12.0493 k = 0.4816 0.2781 0.2642 ( 1983 PWs) bands (ev): -10.7328 -10.7323 -0.6565 -0.6402 0.9248 0.9481 1.1586 1.1597 3.6402 3.6699 3.8308 3.8310 3.9126 3.9416 4.5275 4.5340 4.6133 4.6204 7.5535 7.5748 11.4094 11.4186 11.6921 11.6960 12.0631 12.0697 k = 0.4779 0.2759 0.2762 ( 1985 PWs) bands (ev): -10.7310 -10.7304 -0.6506 -0.6309 0.9105 0.9391 1.1503 1.1521 3.6353 3.6711 3.8306 3.8310 3.9080 3.9428 4.5114 4.5217 4.6039 4.6146 7.5996 7.6251 11.3425 11.3501 11.7205 11.7246 12.0822 12.0865 k = 0.4743 0.2738 0.2882 ( 1987 PWs) bands (ev): -10.7289 -10.7281 -0.6435 -0.6202 0.8935 0.9276 1.1414 1.1440 3.6299 3.6720 3.8303 3.8310 3.9033 3.9437 4.4929 4.5075 4.5937 4.6084 7.6528 7.6824 11.2723 11.2781 11.7541 11.7586 12.0981 12.0992 k = 0.4706 0.2717 0.3002 ( 1987 PWs) bands (ev): -10.7264 -10.7256 -0.6351 -0.6082 0.8737 0.9133 1.1322 1.1357 3.6243 3.6727 3.8299 3.8311 3.8984 3.9443 4.4724 4.4916 4.5828 4.6016 7.7124 7.7459 11.2003 11.2038 11.7927 11.7976 12.1077 12.1104 k = 0.4669 0.2696 0.3122 ( 1985 PWs) bands (ev): -10.7237 -10.7228 -0.6256 -0.5948 0.8510 0.8962 1.1231 1.1274 3.6183 3.6731 3.8293 3.8311 3.8936 3.9447 4.4503 4.4744 4.5714 4.5945 7.7775 7.8149 11.1274 11.1284 11.8361 11.8416 12.1120 12.1195 k = 0.4632 0.2674 0.3242 ( 1985 PWs) bands (ev): -10.7207 -10.7197 -0.6149 -0.5802 0.8255 0.8763 1.1143 1.1193 3.6119 3.6732 3.8284 3.8312 3.8888 3.9448 4.4270 4.4560 4.5596 4.5868 7.8473 7.8885 11.0527 11.0545 11.8839 11.8902 12.1128 12.1258 k = 0.4596 0.2653 0.3362 ( 1985 PWs) bands (ev): -10.7175 -10.7164 -0.6033 -0.5643 0.7972 0.8536 1.1059 1.1114 3.6053 3.6731 3.8269 3.8314 3.8845 3.9446 4.4030 4.4370 4.5474 4.5787 7.9209 7.9659 10.9773 10.9823 11.9356 11.9430 12.1107 12.1302 k = 0.4559 0.2632 0.3482 ( 1985 PWs) bands (ev): -10.7140 -10.7129 -0.5906 -0.5473 0.7664 0.8284 1.0981 1.1039 3.5983 3.6728 3.8248 3.8315 3.8806 3.9442 4.3785 4.4176 4.5348 4.5700 7.9975 8.0459 10.9029 10.9115 11.9900 11.9992 12.1070 12.1343 k = 0.4522 0.2611 0.3602 ( 1989 PWs) bands (ev): -10.7103 -10.7091 -0.5771 -0.5291 0.7334 0.8010 1.0908 1.0968 3.5911 3.6722 3.8219 3.8318 3.8775 3.9435 4.3538 4.3981 4.5219 4.5609 8.0760 8.1278 10.8300 10.8425 12.0439 12.0542 12.1068 12.1417 k = 0.4485 0.2590 0.3722 ( 1985 PWs) bands (ev): -10.7065 -10.7052 -0.5629 -0.5099 0.6984 0.7716 1.0839 1.0900 3.5838 3.6715 3.8181 3.8321 3.8755 3.9426 4.3292 4.3788 4.5087 4.5514 8.1554 8.2103 10.7591 10.7760 12.0778 12.0857 12.1410 12.1648 k = 0.4449 0.2568 0.3842 ( 1985 PWs) bands (ev): -10.7024 -10.7011 -0.5480 -0.4897 0.6617 0.7408 1.0775 1.0835 3.5762 3.6704 3.8134 3.8324 3.8744 3.9414 4.3048 4.3598 4.4953 4.5414 8.2348 8.2926 10.6905 10.7124 12.0744 12.1040 12.2058 12.2156 k = 0.4412 0.2547 0.3962 ( 1986 PWs) bands (ev): -10.6983 -10.6968 -0.5326 -0.4687 0.6238 0.7089 1.0715 1.0773 3.5686 3.6692 3.8080 3.8329 3.8742 3.9399 4.2809 4.3414 4.4817 4.5311 8.3132 8.3733 10.6247 10.6521 12.0682 12.1111 12.2776 12.2822 k = 0.4375 0.2526 0.4082 ( 1986 PWs) bands (ev): -10.6940 -10.6925 -0.5169 -0.4469 0.5849 0.6764 1.0658 1.0713 3.5609 3.6677 3.8019 3.8334 3.8750 3.9380 4.2576 4.3238 4.4678 4.5205 8.3893 8.4514 10.5619 10.5955 12.0631 12.1168 12.3534 12.3556 k = 0.4338 0.2505 0.4203 ( 1982 PWs) bands (ev): -10.6897 -10.6881 -0.5011 -0.4245 0.5455 0.6436 1.0603 1.0656 3.5532 3.6660 3.7955 3.8340 3.8766 3.9359 4.2348 4.3071 4.4539 4.5096 8.4623 8.5257 10.5024 10.5428 12.0606 12.1244 12.4324 12.4334 k = 0.4301 0.2483 0.4323 ( 1983 PWs) bands (ev): -10.6853 -10.6837 -0.4853 -0.4017 0.5059 0.6111 1.0550 1.0601 3.5456 3.6640 3.7889 3.8347 3.8788 3.9333 4.2127 4.2914 4.4398 4.4985 8.5310 8.5949 10.4462 10.4941 12.0620 12.1356 12.5140 12.5142 k = 0.4265 0.2462 0.4443 ( 1982 PWs) bands (ev): -10.6809 -10.6792 -0.4698 -0.3787 0.4666 0.5793 1.0499 1.0547 3.5382 3.6619 3.7824 3.8355 3.8817 3.9305 4.1913 4.2767 4.4257 4.4872 8.5945 8.6582 10.3935 10.4495 12.0686 12.1516 12.5975 12.5978 k = 0.4228 0.2441 0.4563 ( 1985 PWs) bands (ev): -10.6765 -10.6748 -0.4549 -0.3559 0.4280 0.5486 1.0450 1.0495 3.5309 3.6595 3.7760 3.8364 3.8851 3.9271 4.1706 4.2632 4.4116 4.4757 8.6518 8.7144 10.3441 10.4087 12.0814 12.1737 12.6827 12.6833 k = 0.4191 0.2420 0.4683 ( 1984 PWs) bands (ev): -10.6722 -10.6704 -0.4408 -0.3334 0.3908 0.5196 1.0401 1.0445 3.5240 3.6569 3.7701 3.8375 3.8889 3.9234 4.1506 4.2509 4.3975 4.4641 8.7024 8.7629 10.2979 10.3714 12.1017 12.2026 12.7693 12.7701 k = 0.4154 0.2399 0.4803 ( 1984 PWs) bands (ev): -10.6679 -10.6661 -0.4279 -0.3119 0.3554 0.4928 1.0354 1.0396 3.5174 3.6542 3.7646 3.8387 3.8932 3.9192 4.1313 4.2399 4.3835 4.4526 8.7456 8.8032 10.2545 10.3369 12.1302 12.2390 12.8569 12.8578 k = 0.4118 0.2377 0.4923 ( 1986 PWs) bands (ev): -10.6637 -10.6619 -0.4165 -0.2918 0.3227 0.4686 1.0308 1.0348 3.5112 3.6513 3.7596 3.8400 3.8980 3.9145 4.1127 4.2301 4.3697 4.4410 8.7814 8.8354 10.2135 10.3044 12.1676 12.2835 12.9447 12.9457 k = 0.4081 0.2356 0.5043 ( 1986 PWs) bands (ev): -10.6597 -10.6579 -0.4069 -0.2739 0.2935 0.4475 1.0264 1.0303 3.5054 3.6483 3.7553 3.8415 3.9030 3.9094 4.0948 4.2217 4.3560 4.4295 8.8098 8.8595 10.1743 10.2732 12.2143 12.3361 13.0323 13.0334 k = 0.4044 0.2335 0.5163 ( 1982 PWs) bands (ev): -10.6559 -10.6540 -0.3994 -0.2588 0.2686 0.4299 1.0220 1.0258 3.5003 3.6454 3.7517 3.8430 3.9039 3.9085 4.0776 4.2145 4.3426 4.4181 8.8309 8.8761 10.1364 10.2423 12.2701 12.3968 13.1191 13.1202 k = 0.4007 0.2314 0.5283 ( 1982 PWs) bands (ev): -10.6523 -10.6504 -0.3943 -0.2476 0.2490 0.4161 1.0178 1.0216 3.4958 3.6425 3.7488 3.8446 3.8981 3.9142 4.0610 4.2086 4.3295 4.4069 8.8455 8.8859 10.0992 10.2109 12.3344 12.4648 13.2044 13.2054 k = 0.3971 0.2292 0.5403 ( 1980 PWs) bands (ev): -10.6489 -10.6470 -0.3916 -0.2410 0.2356 0.4065 1.0137 1.0176 3.4919 3.6398 3.7466 3.8462 3.8921 3.9203 4.0451 4.2040 4.3167 4.3959 8.8540 8.8897 10.0621 10.1784 12.4061 12.5391 13.2874 13.2885 k = 0.3934 0.2271 0.5523 ( 1980 PWs) bands (ev): -10.6458 -10.6439 -0.3914 -0.2395 0.2291 0.4010 1.0098 1.0137 3.4888 3.6373 3.7451 3.8475 3.8861 3.9266 4.0300 4.2005 4.3043 4.3851 8.8574 8.8886 10.0246 10.1443 12.4833 12.6179 13.3676 13.3687 k = 0.3897 0.2250 0.5643 ( 1977 PWs) bands (ev): -10.6430 -10.6411 -0.3937 -0.2431 0.2294 0.3998 1.0061 1.0101 3.4864 3.6351 3.7443 3.8481 3.8808 3.9331 4.0155 4.1982 4.2924 4.3746 8.8564 8.8833 9.9865 10.1082 12.5637 12.6987 13.4443 13.4453 k = 0.3860 0.2229 0.5764 ( 1979 PWs) bands (ev): -10.6406 -10.6387 -0.3982 -0.2514 0.2363 0.4025 1.0026 1.0067 3.4849 3.6334 3.7441 3.8473 3.8767 3.9397 4.0019 4.1968 4.2809 4.3645 8.8517 8.8748 9.9474 10.0701 12.6437 12.7779 13.5167 13.5179 k = 0.3824 0.2208 0.5884 ( 1977 PWs) bands (ev): -10.6385 -10.6366 -0.4047 -0.2636 0.2489 0.4091 0.9992 1.0036 3.4843 3.6321 3.7445 3.8444 3.8748 3.9463 3.9894 4.1965 4.2700 4.3548 8.8442 8.8637 9.9073 10.0300 12.7191 12.8511 13.5844 13.5857 k = 0.3787 0.2186 0.6004 ( 1981 PWs) bands (ev): -10.6368 -10.6349 -0.4127 -0.2786 0.2661 0.4191 0.9961 1.0007 3.4845 3.6313 3.7455 3.8394 3.8750 3.9521 3.9787 4.1970 4.2598 4.3454 8.8345 8.8508 9.8662 9.9880 12.7847 12.9127 13.6466 13.6483 k = 0.3750 0.2165 0.6124 ( 2003 PWs) bands (ev): -10.6355 -10.6337 -0.4219 -0.2955 0.2870 0.4320 0.9933 0.9981 3.4855 3.6308 3.7470 3.8328 3.8768 3.9540 3.9728 4.1981 4.2504 4.3365 8.8231 8.8365 9.8240 9.9443 12.8353 12.9573 13.7029 13.7051 k = 0.6250-0.0722 0.4082 ( 2003 PWs) bands (ev): -10.6355 -10.6337 -0.4219 -0.2955 0.2870 0.4320 0.9933 0.9981 3.4855 3.6308 3.7470 3.8328 3.8768 3.9540 3.9728 4.1981 4.2504 4.3365 8.8231 8.8365 9.8240 9.9443 12.8353 12.9573 13.7029 13.7051 k = 0.6188-0.0830 0.4082 ( 1986 PWs) bands (ev): -10.6338 -10.6320 -0.4385 -0.3247 0.3255 0.4575 0.9889 0.9943 3.4889 3.6308 3.7507 3.8212 3.8813 3.9504 3.9712 4.2003 4.2358 4.3223 8.8019 8.8108 9.7499 9.8667 12.9034 13.0121 13.7945 13.7977 k = 0.6125-0.0938 0.4082 ( 1982 PWs) bands (ev): -10.6324 -10.6306 -0.4555 -0.3531 0.3645 0.4846 0.9850 0.9908 3.4932 3.6308 3.7550 3.8099 3.8858 3.9458 3.9705 4.2012 4.2225 4.3086 8.7793 8.7840 9.6725 9.7853 12.9660 13.0601 13.8876 13.8919 k = 0.6062-0.1046 0.4082 ( 1988 PWs) bands (ev): -10.6312 -10.6295 -0.4727 -0.3806 0.4036 0.5129 0.9817 0.9879 3.4984 3.6309 3.7598 3.7989 3.8903 3.9410 3.9701 4.1985 4.2128 4.2954 8.7554 8.7562 9.5931 9.7014 13.0242 13.1033 13.9822 13.9871 k = 0.6000-0.1155 0.4082 ( 1996 PWs) bands (ev): -10.6302 -10.6285 -0.4898 -0.4069 0.4423 0.5418 0.9789 0.9855 3.5047 3.6312 3.7654 3.7884 3.8947 3.9363 3.9697 4.1895 4.2093 4.2828 8.7273 8.7301 9.5129 9.6165 13.0793 13.1439 14.0779 14.0818 k = 0.5938-0.1263 0.4082 ( 1996 PWs) bands (ev): -10.6293 -10.6277 -0.5066 -0.4321 0.4804 0.5709 0.9769 0.9838 3.5120 3.6314 3.7716 3.7784 3.8992 3.9317 3.9694 4.1782 4.2081 4.2707 8.6974 8.7034 9.4332 9.5318 13.1323 13.1835 14.1740 14.1746 k = 0.5875-0.1371 0.4082 ( 1996 PWs) bands (ev): -10.6286 -10.6271 -0.5229 -0.4560 0.5174 0.5996 0.9758 0.9829 3.5202 3.6316 3.7690 3.7784 3.9034 3.9273 3.9693 4.1668 4.2071 4.2592 8.6665 8.6753 9.3554 9.4488 13.1839 13.2232 14.2649 14.2719 k = 0.5813-0.1479 0.4082 ( 1996 PWs) bands (ev): -10.6280 -10.6266 -0.5386 -0.4787 0.5528 0.6273 0.9756 0.9828 3.5292 3.6317 3.7602 3.7855 3.9075 3.9228 3.9697 4.1560 4.2055 4.2481 8.6344 8.6454 9.2809 9.3689 13.2345 13.2634 14.3569 14.3694 k = 0.5750-0.1588 0.4082 ( 1998 PWs) bands (ev): -10.6276 -10.6263 -0.5534 -0.4999 0.5864 0.6536 0.9765 0.9836 3.5389 3.6317 3.7522 3.7929 3.9113 3.9183 3.9708 4.1459 4.2031 4.2375 8.6011 8.6138 9.2111 9.2933 13.2842 13.3042 14.4500 14.4664 k = 0.5687-0.1696 0.4082 ( 2006 PWs) bands (ev): -10.6273 -10.6260 -0.5674 -0.5197 0.6177 0.6780 0.9787 0.9855 3.5491 3.6316 3.7450 3.8001 3.9137 3.9148 3.9727 4.1366 4.2001 4.2273 8.5667 8.5803 9.1470 9.2230 13.3327 13.3453 14.5429 14.5623 k = 0.5625-0.1804 0.4082 ( 2002 PWs) bands (ev): -10.6270 -10.6259 -0.5803 -0.5381 0.6464 0.6999 0.9821 0.9885 3.5598 3.6314 3.7388 3.8069 3.9092 3.9180 3.9757 4.1282 4.1963 4.2176 8.5313 8.5451 9.0896 9.1590 13.3798 13.3864 14.6347 14.6565 k = 0.5563-0.1912 0.4082 ( 2002 PWs) bands (ev): -10.6268 -10.6258 -0.5921 -0.5550 0.6722 0.7192 0.9868 0.9924 3.5706 3.6312 3.7338 3.8127 3.9051 3.9206 3.9800 4.1206 4.1917 4.2084 8.4955 8.5087 9.0395 9.1018 13.4250 13.4267 14.7241 14.7480 k = 0.5500-0.2021 0.4082 ( 1998 PWs) bands (ev): -10.6267 -10.6258 -0.6026 -0.5704 0.6950 0.7357 0.9926 0.9974 3.5813 3.6309 3.7301 3.8168 3.9017 3.9227 3.9857 4.1138 4.1865 4.1995 8.4597 8.4719 8.9966 9.0517 13.4657 13.4676 14.8100 14.8357 k = 0.5437-0.2129 0.4082 ( 2002 PWs) bands (ev): -10.6266 -10.6258 -0.6119 -0.5842 0.7146 0.7492 0.9993 1.0031 3.5915 3.6305 3.7280 3.8185 3.8995 3.9242 3.9927 4.1079 4.1806 4.1911 8.4248 8.4355 8.9609 9.0085 13.5026 13.5069 14.8910 14.9185 k = 0.5375-0.2237 0.4082 ( 2002 PWs) bands (ev): -10.6266 -10.6258 -0.6198 -0.5964 0.7311 0.7599 1.0064 1.0093 3.6008 3.6302 3.7278 3.8173 3.8990 3.9250 4.0010 4.1026 4.1744 4.1831 8.3918 8.4008 8.9318 8.9720 13.5367 13.5425 14.9660 14.9947 k = 0.5312-0.2345 0.4082 ( 1998 PWs) bands (ev): -10.6265 -10.6259 -0.6263 -0.6071 0.7448 0.7680 1.0135 1.0155 3.6088 3.6299 3.7297 3.8133 3.9002 3.9251 4.0106 4.0977 4.1682 4.1758 8.3619 8.3691 8.9089 8.9418 13.5672 13.5736 15.0335 15.0627 k = 0.5250-0.2454 0.4082 ( 1998 PWs) bands (ev): -10.6265 -10.6260 -0.6314 -0.6162 0.7558 0.7739 1.0202 1.0215 3.6153 3.6296 3.7338 3.8068 3.9025 3.9245 4.0209 4.0928 4.1623 4.1691 8.3358 8.3414 8.8915 8.9174 13.5935 13.5997 15.0922 15.1205 k = 0.5188-0.2562 0.4082 ( 1998 PWs) bands (ev): -10.6264 -10.6261 -0.6350 -0.6236 0.7644 0.7776 1.0258 1.0266 3.6202 3.6293 3.7401 3.7984 3.9056 3.9232 4.0319 4.0874 4.1574 4.1633 8.3147 8.3188 8.8792 8.8983 13.6150 13.6202 15.1410 15.1661 k = 0.5125-0.2670 0.4082 ( 1994 PWs) bands (ev): -10.6264 -10.6262 -0.6370 -0.6295 0.7709 0.7796 1.0302 1.0306 3.6237 3.6289 3.7482 3.7888 3.9091 3.9213 4.0431 4.0810 4.1540 4.1584 8.2993 8.3019 8.8715 8.8841 13.6311 13.6349 15.1786 15.1977 k = 0.5062-0.2778 0.4082 ( 1994 PWs) bands (ev): -10.6264 -10.6262 -0.6375 -0.6338 0.7756 0.7799 1.0329 1.0331 3.6260 3.6283 3.7576 3.7784 3.9126 3.9188 4.0540 4.0733 4.1523 4.1548 8.2900 8.2913 8.8682 8.8745 13.6414 13.6434 15.2040 15.2144 k = 0.5000-0.2887 0.4082 ( 2012 PWs) bands (ev): -10.6263 -10.6263 -0.6364 -0.6364 0.7785 0.7785 1.0338 1.0338 3.6274 3.6274 3.7678 3.7678 3.9157 3.9157 4.0641 4.0641 4.1525 4.1525 8.2873 8.2873 8.8692 8.8692 13.6455 13.6455 15.2162 15.2162 Writing output data file CuBr.save init_run : 2.68s CPU 12.78s WALL ( 1 calls) electrons : 115.82s CPU 119.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.18s CPU 1.39s WALL ( 1 calls) Called by electrons: c_bands : 115.75s CPU 119.44s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.68s WALL ( 1 calls) v_h : 0.01s CPU 0.06s WALL ( 1 calls) v_xc : 0.01s CPU 0.32s WALL ( 1 calls) newd : 0.10s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 363 calls) cegterg : 96.42s CPU 97.46s WALL ( 396 calls) Called by sum_band: Called by *egterg: h_psi : 54.54s CPU 57.94s WALL ( 6037 calls) s_psi : 2.68s CPU 3.21s WALL ( 6037 calls) g_psi : 0.07s CPU 0.12s WALL ( 5278 calls) cdiaghg : 27.85s CPU 27.42s WALL ( 5641 calls) cegterg:over : 8.49s CPU 7.09s WALL ( 5278 calls) cegterg:upda : 0.44s CPU 1.31s WALL ( 5278 calls) cegterg:last : 0.57s CPU 0.99s WALL ( 1350 calls) Called by h_psi: h_psi:vloc : 48.16s CPU 51.09s WALL ( 6037 calls) h_psi:vnl : 6.36s CPU 6.58s WALL ( 6037 calls) add_vuspsi : 0.99s CPU 2.22s WALL ( 6037 calls) General routines calbec : 5.36s CPU 4.30s WALL ( 6037 calls) fft : 0.19s CPU 0.77s WALL ( 19 calls) ffts : 0.00s CPU 0.09s WALL ( 4 calls) fftw : 46.39s CPU 48.85s WALL ( 431712 calls) interpolate : 0.04s CPU 0.19s WALL ( 4 calls) davcio : 0.02s CPU 1.03s WALL ( 726 calls) Parallel routines fft_scatter : 31.44s CPU 33.63s WALL ( 431735 calls) PWSCF : 2m26.57s CPU 3m30.74s WALL This run was terminated on: 22:10:43 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=