Program PWSCF v.5.4.0 starts on 12Feb2017 at 3:36:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./VFeSb.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 22 6 2575 409 66 Max 76 23 7 2578 425 69 Sum 2713 805 241 92769 15065 2421 bravais-lattice index = 14 lattice parameter (alat) = 7.7849 a.u. unit-cell volume = 333.6168 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.784923 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 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 Fe 8.00 55.84500 Fe( 1.00) Sb 5.00 121.76000 Sb( 1.00) V 13.00 50.94150 V( 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 and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] 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 0.1018519), 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 0.3981482), 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 0.6018519), 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 0.3556035 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 0.5818966), 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 0.1681035 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 0.2068966), 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 0.1681035), 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 0.2340426), wk = 0.0027548 k( 187) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0027548 k( 188) = ( 0.2553191 0.2553192 0.2553191), wk = 0.0027548 k( 189) = ( 0.2659574 0.2659575 0.2659575), 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 0.4558824 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 0.5808824), wk = 0.0027548 k( 235) = ( 0.5845588 0.3308824 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 0.2941177 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 0.5961539), 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 0.5512821), 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 0.5808824), wk = 0.0027548 k( 320) = ( 0.4558823 0.4558824 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: 92769 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 15065 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 106, 34) NL pseudopotentials 0.08 Mb ( 53, 102) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2576) G-vector shells 0.00 Mb ( 571) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 106, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.11 Mb ( 102, 2, 34) The potential is recalculated from file : ./VFeSb.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.7 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.4 secs Computing kpt #: 18 total cpu time spent up to now is 9.7 secs Computing kpt #: 19 total cpu time spent up to now is 10.1 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.3 secs Computing kpt #: 23 total cpu time spent up to now is 11.7 secs Computing kpt #: 24 total cpu time spent up to now is 12.2 secs Computing kpt #: 25 total cpu time spent up to now is 12.6 secs Computing kpt #: 26 total cpu time spent up to now is 13.1 secs Computing kpt #: 27 total cpu time spent up to now is 13.5 secs Computing kpt #: 28 total cpu time spent up to now is 13.9 secs Computing kpt #: 29 total cpu time spent up to now is 14.3 secs Computing kpt #: 30 total cpu time spent up to now is 14.7 secs Computing kpt #: 31 total cpu time spent up to now is 15.1 secs Computing kpt #: 32 total cpu time spent up to now is 15.5 secs Computing kpt #: 33 total cpu time spent up to now is 15.9 secs Computing kpt #: 34 total cpu time spent up to now is 16.3 secs Computing kpt #: 35 total cpu time spent up to now is 16.7 secs Computing kpt #: 36 total cpu time spent up to now is 17.2 secs Computing kpt #: 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24.3 secs Computing kpt #: 53 total cpu time spent up to now is 24.7 secs Computing kpt #: 54 total cpu time spent up to now is 25.1 secs Computing kpt #: 55 total cpu time spent up to now is 25.4 secs Computing kpt #: 56 total cpu time spent up to now is 25.8 secs Computing kpt #: 57 total cpu time spent up to now is 26.2 secs Computing kpt #: 58 total cpu time spent up to now is 26.6 secs Computing kpt #: 59 total cpu time spent up to now is 26.9 secs Computing kpt #: 60 total cpu time spent up to now is 27.3 secs Computing kpt #: 61 total cpu time spent up to now is 27.7 secs Computing kpt #: 62 total cpu time spent up to now is 28.2 secs Computing kpt #: 63 total cpu time spent up to now is 28.6 secs Computing kpt #: 64 total cpu time spent up to now is 29.0 secs Computing kpt #: 65 total cpu time spent up to now is 29.5 secs Computing kpt #: 66 total cpu time spent up to now is 29.9 secs Computing kpt #: 67 total cpu time spent up to now is 30.4 secs Computing kpt #: 68 total cpu 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Computing kpt #: 84 total cpu time spent up to now is 36.7 secs Computing kpt #: 85 total cpu time spent up to now is 37.1 secs Computing kpt #: 86 total cpu time spent up to now is 37.4 secs Computing kpt #: 87 total cpu time spent up to now is 37.7 secs Computing kpt #: 88 total cpu time spent up to now is 38.0 secs Computing kpt #: 89 total cpu time spent up to now is 38.3 secs Computing kpt #: 90 total cpu time spent up to now is 38.7 secs Computing kpt #: 91 total cpu time spent up to now is 39.1 secs Computing kpt #: 92 total cpu time spent up to now is 39.5 secs Computing kpt #: 93 total cpu time spent up to now is 39.9 secs Computing kpt #: 94 total cpu time spent up to now is 40.3 secs Computing kpt #: 95 total cpu time spent up to now is 40.7 secs Computing kpt #: 96 total cpu time spent up to now is 41.1 secs Computing kpt #: 97 total cpu time spent up to now is 41.5 secs Computing kpt #: 98 total cpu time spent up to now is 41.9 secs Computing kpt #: 99 total cpu time spent up to now is 42.3 secs Computing kpt #: 100 total cpu time spent up to now is 42.7 secs Computing kpt #: 101 total cpu time spent up to now is 43.1 secs Computing kpt #: 102 total cpu time spent up to now is 43.5 secs Computing kpt #: 103 total cpu time spent up to now is 43.9 secs Computing kpt #: 104 total cpu time spent up to now is 44.2 secs Computing kpt #: 105 total cpu time spent up to now is 44.6 secs Computing kpt #: 106 total cpu time spent up to now is 44.9 secs Computing kpt #: 107 total cpu time spent up to now is 45.3 secs Computing kpt #: 108 total cpu time spent up to now is 45.7 secs Computing kpt #: 109 total cpu time spent up to now is 46.1 secs Computing kpt #: 110 total cpu time spent up to now is 46.5 secs Computing kpt #: 111 total cpu time spent up to now is 46.8 secs Computing kpt #: 112 total cpu time spent up to now is 47.1 secs Computing kpt #: 113 total cpu time spent up to now is 47.4 secs Computing kpt #: 114 total cpu time spent up to now is 47.7 secs Computing kpt #: 115 total cpu time spent up to now is 48.0 secs Computing kpt #: 116 total cpu time spent up to now is 48.3 secs Computing kpt #: 117 total cpu time spent up to now is 48.6 secs Computing kpt #: 118 total cpu time spent up to now is 48.9 secs Computing kpt #: 119 total cpu time spent up to now is 49.2 secs Computing kpt #: 120 total cpu time spent up to now is 49.5 secs Computing kpt #: 121 total cpu time spent up to now is 49.8 secs Computing kpt #: 122 total cpu time spent up to now is 50.1 secs Computing kpt #: 123 total cpu time spent up to now is 50.3 secs Computing kpt #: 124 total cpu time spent up to now is 50.6 secs Computing kpt #: 125 total cpu time spent up to now is 50.9 secs Computing kpt #: 126 total cpu time spent up to now is 51.2 secs Computing kpt #: 127 total cpu time spent up to now is 51.5 secs Computing kpt #: 128 total cpu time spent up to now is 51.8 secs Computing kpt #: 129 total cpu time spent up to now is 52.1 secs Computing kpt #: 130 total cpu time spent up to now is 52.4 secs Computing kpt #: 131 total cpu time spent up to now is 52.7 secs Computing kpt #: 132 total cpu time spent up to now is 53.0 secs Computing kpt #: 133 total cpu time spent up to now is 53.2 secs Computing kpt #: 134 total cpu time spent up to now is 53.5 secs Computing kpt #: 135 total cpu time spent up to now is 53.8 secs Computing kpt #: 136 total cpu time spent up to now is 54.1 secs Computing kpt #: 137 total cpu time spent up to now is 54.4 secs Computing kpt #: 138 total cpu time spent up to now is 54.7 secs Computing kpt #: 139 total cpu time spent up to now is 55.0 secs Computing kpt #: 140 total cpu time spent up to now is 55.3 secs Computing kpt #: 141 total cpu time spent up to now is 55.6 secs Computing kpt #: 142 total cpu time spent up to now is 55.9 secs Computing kpt #: 143 total cpu time spent up to now is 56.2 secs Computing kpt #: 144 total cpu time spent up to now is 56.5 secs Computing kpt #: 145 total cpu time spent up to now is 56.8 secs Computing kpt #: 146 total cpu time spent up to now is 57.1 secs Computing kpt #: 147 total cpu time spent up to now is 57.4 secs Computing kpt #: 148 total cpu time spent up to now is 57.7 secs Computing kpt #: 149 total cpu time spent up to now is 58.0 secs Computing kpt #: 150 total cpu time spent up to now is 58.3 secs Computing kpt #: 151 total cpu time spent up to now is 58.6 secs Computing kpt #: 152 total cpu time spent up to now is 58.9 secs Computing kpt #: 153 total cpu time spent up to now is 59.2 secs Computing kpt #: 154 total cpu time spent up to now is 59.6 secs Computing kpt #: 155 total cpu time spent up to now is 59.9 secs Computing kpt #: 156 total cpu time spent up to now is 60.3 secs Computing kpt #: 157 total cpu time spent up to now is 60.6 secs Computing kpt #: 158 total cpu time spent up to now is 60.9 secs Computing kpt #: 159 total cpu time spent up to now is 61.3 secs Computing kpt #: 160 total cpu time spent up to now is 61.6 secs Computing kpt #: 161 total cpu time spent up to now is 62.0 secs Computing kpt #: 162 total cpu time spent up to now is 62.3 secs Computing kpt #: 163 total cpu time spent up to now is 62.6 secs Computing kpt #: 164 total cpu time spent up to now is 62.9 secs Computing kpt #: 165 total cpu time spent up to now is 63.3 secs Computing kpt #: 166 total cpu time spent up to now is 63.6 secs Computing kpt #: 167 total cpu time spent up to now is 64.0 secs Computing kpt #: 168 total cpu time spent up to now is 64.4 secs Computing kpt #: 169 total cpu time spent up to now is 64.7 secs Computing kpt #: 170 total cpu time spent up to now is 65.9 secs Computing kpt #: 171 total cpu time spent up to now is 66.3 secs Computing kpt #: 172 total cpu time spent up to now is 66.6 secs Computing kpt #: 173 total cpu time spent up to now is 66.9 secs Computing kpt #: 174 total cpu time spent up to now is 67.2 secs Computing kpt #: 175 total cpu time spent up to now is 67.6 secs Computing kpt #: 176 total cpu time spent up to now is 67.9 secs Computing kpt #: 177 total cpu time spent up to now is 68.2 secs Computing kpt #: 178 total cpu time spent up to now is 68.5 secs Computing kpt #: 179 total cpu time spent up to now is 68.8 secs Computing kpt #: 180 total cpu time spent up to now is 69.1 secs Computing kpt #: 181 total cpu time spent up to now is 69.4 secs Computing kpt #: 182 total cpu time spent up to now is 69.7 secs Computing kpt #: 183 total cpu time spent up to now is 70.1 secs Computing kpt #: 184 total cpu time spent up to now is 70.4 secs Computing kpt #: 185 total cpu time spent up to now is 70.7 secs Computing kpt #: 186 total cpu time spent up to now is 71.1 secs Computing kpt #: 187 total cpu time spent up to now is 71.4 secs Computing kpt #: 188 total cpu time spent up to now is 71.7 secs Computing kpt #: 189 total cpu time spent up to now is 72.1 secs Computing kpt #: 190 total cpu time spent up to now is 72.4 secs Computing kpt #: 191 total cpu time spent up to now is 72.7 secs Computing kpt #: 192 total cpu time spent up to now is 73.1 secs Computing kpt #: 193 total cpu time spent up to now is 73.4 secs Computing kpt #: 194 total cpu time spent up to now is 73.7 secs Computing kpt #: 195 total cpu time spent up to now is 74.1 secs Computing kpt #: 196 total cpu time spent up to now is 74.4 secs Computing kpt #: 197 total cpu time spent up to now is 74.8 secs Computing kpt #: 198 total cpu time spent up to now is 75.1 secs Computing kpt #: 199 total cpu time spent up to now is 75.5 secs Computing kpt #: 200 total cpu time spent up to now is 75.8 secs Computing kpt #: 201 total cpu time spent up to now is 76.2 secs Computing kpt #: 202 total cpu time spent up to now is 76.6 secs Computing kpt #: 203 total cpu time spent up to now is 76.9 secs Computing kpt #: 204 total cpu time spent up to now is 77.3 secs Computing kpt #: 205 total cpu time spent up to now is 77.7 secs Computing kpt #: 206 total cpu time spent up to now is 78.1 secs Computing kpt #: 207 total cpu time spent up to now is 78.5 secs Computing kpt #: 208 total cpu time spent up to now is 78.9 secs Computing kpt #: 209 total cpu time spent up to now is 79.3 secs Computing kpt #: 210 total cpu time spent up to now is 79.7 secs Computing kpt #: 211 total cpu time spent up to now is 80.1 secs Computing kpt #: 212 total cpu time spent up to now is 80.5 secs Computing kpt #: 213 total cpu time spent up to now is 80.9 secs Computing kpt #: 214 total cpu time spent up to now is 81.3 secs Computing kpt #: 215 total cpu time spent up to now is 81.7 secs Computing kpt #: 216 total cpu time spent up to now is 82.0 secs Computing kpt #: 217 total cpu time spent up to now is 82.4 secs Computing kpt #: 218 total cpu time spent up to now is 82.8 secs Computing kpt #: 219 total cpu time spent up to now is 83.1 secs Computing kpt #: 220 total cpu time spent up to now is 83.5 secs Computing kpt #: 221 total cpu time spent up to now is 83.8 secs Computing kpt #: 222 total cpu time spent up to now is 84.2 secs Computing kpt #: 223 total cpu time spent up to now is 84.5 secs Computing kpt #: 224 total cpu time spent up to now is 84.9 secs Computing kpt #: 225 total cpu time spent up to now is 85.3 secs Computing kpt #: 226 total cpu time spent up to now is 85.7 secs Computing kpt #: 227 total cpu time spent up to now is 86.0 secs Computing kpt #: 228 total cpu time spent up to now is 86.3 secs Computing kpt #: 229 total cpu time spent up to now is 86.6 secs Computing kpt #: 230 total cpu time spent up to now is 86.9 secs Computing kpt #: 231 total cpu time spent up to now is 87.2 secs Computing kpt #: 232 total cpu time spent up to now is 87.5 secs Computing kpt #: 233 total cpu time spent up to now is 87.9 secs Computing kpt #: 234 total cpu time spent up to now is 88.2 secs Computing kpt #: 235 total cpu time spent up to now is 88.5 secs Computing kpt #: 236 total cpu time spent up to now is 88.9 secs Computing kpt #: 237 total cpu time spent up to now is 89.3 secs Computing kpt #: 238 total cpu time spent up to now is 89.6 secs Computing kpt #: 239 total cpu time spent up to now is 90.0 secs Computing kpt #: 240 total cpu time spent up to now is 90.3 secs Computing kpt #: 241 total cpu time spent up to now is 90.7 secs Computing kpt #: 242 total cpu time spent up to now is 91.1 secs Computing kpt #: 243 total cpu time spent up to now is 91.5 secs Computing kpt #: 244 total cpu time spent up to now is 91.9 secs Computing kpt #: 245 total cpu time spent up to now is 92.2 secs Computing kpt #: 246 total cpu time spent up to now is 92.6 secs Computing kpt #: 247 total cpu time spent up to now is 93.0 secs Computing kpt #: 248 total cpu time spent up to now is 93.3 secs Computing kpt #: 249 total cpu time spent up to now is 93.7 secs Computing kpt #: 250 total cpu time spent up to now is 94.1 secs Computing kpt #: 251 total cpu time spent up to now is 94.5 secs Computing kpt #: 252 total cpu time spent up to now is 94.9 secs Computing kpt #: 253 total cpu time spent up to now is 95.3 secs Computing kpt #: 254 total cpu time spent up to now is 95.7 secs Computing kpt #: 255 total cpu time spent up to now is 96.1 secs Computing kpt #: 256 total cpu time spent up to now is 96.5 secs Computing kpt #: 257 total cpu time spent up to now is 96.9 secs Computing kpt #: 258 total cpu time spent up to now is 97.3 secs Computing kpt #: 259 total cpu time spent up to now is 97.7 secs Computing kpt #: 260 total cpu time spent up to now is 98.1 secs Computing kpt #: 261 total cpu time spent up to now is 98.5 secs Computing kpt #: 262 total cpu time spent up to now is 98.8 secs Computing kpt #: 263 total cpu time spent up to now is 99.2 secs Computing kpt #: 264 total cpu time spent up to now is 99.5 secs Computing kpt #: 265 total cpu time spent up to now is 99.8 secs Computing kpt #: 266 total cpu time spent up to now is 100.2 secs Computing kpt #: 267 total cpu time spent up to now is 100.5 secs Computing kpt #: 268 total cpu time spent up to now is 100.8 secs Computing kpt #: 269 total cpu time spent up to now is 101.1 secs Computing kpt #: 270 total cpu time spent up to now is 101.5 secs Computing kpt #: 271 total cpu time spent up to now is 101.8 secs Computing kpt #: 272 total cpu time spent up to now is 102.2 secs Computing kpt #: 273 total cpu time spent up to now is 102.6 secs Computing kpt #: 274 total cpu time spent up to now is 102.9 secs Computing kpt #: 275 total cpu time spent up to now is 103.4 secs Computing kpt #: 276 total cpu time spent up to now is 103.8 secs Computing kpt #: 277 total cpu time spent up to now is 104.2 secs Computing kpt #: 278 total cpu time spent up to now is 104.5 secs Computing kpt #: 279 total cpu time spent up to now is 104.9 secs Computing kpt #: 280 total cpu time spent up to now is 105.3 secs Computing kpt #: 281 total cpu time spent up to now is 105.6 secs Computing kpt #: 282 total cpu time spent up to now is 106.0 secs Computing kpt #: 283 total cpu time spent up to now is 106.3 secs Computing kpt #: 284 total cpu time spent up to now is 106.7 secs Computing kpt #: 285 total cpu time spent up to now is 107.1 secs Computing kpt #: 286 total cpu time spent up to now is 107.4 secs Computing kpt #: 287 total cpu time spent up to now is 107.8 secs Computing kpt #: 288 total cpu time spent up to now is 108.1 secs Computing kpt #: 289 total cpu time spent up to now is 108.5 secs Computing kpt #: 290 total cpu time spent up to now is 108.8 secs Computing kpt #: 291 total cpu time spent up to now is 109.2 secs Computing kpt #: 292 total cpu time spent up to now is 109.5 secs Computing kpt #: 293 total cpu time spent up to now is 109.9 secs Computing kpt #: 294 total cpu time spent up to now is 110.3 secs Computing kpt #: 295 total cpu time spent up to now is 110.7 secs Computing kpt #: 296 total cpu time spent up to now is 111.1 secs Computing kpt #: 297 total cpu time spent up to now is 111.5 secs Computing kpt #: 298 total cpu time spent up to now is 111.9 secs Computing kpt #: 299 total cpu time spent up to now is 112.3 secs Computing kpt #: 300 total cpu time spent up to now is 112.7 secs Computing kpt #: 301 total cpu time spent up to now is 113.0 secs Computing kpt #: 302 total cpu time spent up to now is 113.3 secs Computing kpt #: 303 total cpu time spent up to now is 113.7 secs Computing kpt #: 304 total cpu time spent up to now is 114.0 secs Computing kpt #: 305 total cpu time spent up to now is 114.4 secs Computing kpt #: 306 total cpu time spent up to now is 114.8 secs Computing kpt #: 307 total cpu time spent up to now is 115.1 secs Computing kpt #: 308 total cpu time spent up to now is 115.5 secs Computing kpt #: 309 total cpu time spent up to now is 115.9 secs Computing kpt #: 310 total cpu time spent up to now is 116.3 secs Computing kpt #: 311 total cpu time spent up to now is 116.6 secs Computing kpt #: 312 total cpu time spent up to now is 117.0 secs Computing kpt #: 313 total cpu time spent up to now is 117.3 secs Computing kpt #: 314 total cpu time spent up to now is 117.7 secs Computing kpt #: 315 total cpu time spent up to now is 118.0 secs Computing kpt #: 316 total cpu time spent up to now is 118.4 secs Computing kpt #: 317 total cpu time spent up to now is 118.8 secs Computing kpt #: 318 total cpu time spent up to now is 119.2 secs Computing kpt #: 319 total cpu time spent up to now is 119.6 secs Computing kpt #: 320 total cpu time spent up to now is 119.9 secs Computing kpt #: 321 total cpu time spent up to now is 120.3 secs Computing kpt #: 322 total cpu time spent up to now is 120.7 secs Computing kpt #: 323 total cpu time spent up to now is 120.9 secs Computing kpt #: 324 total cpu time spent up to now is 121.2 secs Computing kpt #: 325 total cpu time spent up to now is 121.5 secs Computing kpt #: 326 total cpu time spent up to now is 121.9 secs Computing kpt #: 327 total cpu time spent up to now is 122.3 secs Computing kpt #: 328 total cpu time spent up to now is 122.6 secs Computing kpt #: 329 total cpu time spent up to now is 122.9 secs Computing kpt #: 330 total cpu time spent up to now is 123.2 secs Computing kpt #: 331 total cpu time spent up to now is 123.6 secs Computing kpt #: 332 total cpu time spent up to now is 123.9 secs Computing kpt #: 333 total cpu time spent up to now is 124.3 secs Computing kpt #: 334 total cpu time spent up to now is 124.6 secs Computing kpt #: 335 total cpu time spent up to now is 125.0 secs Computing kpt #: 336 total cpu time spent up to now is 125.4 secs Computing kpt #: 337 total cpu time spent up to now is 125.7 secs Computing kpt #: 338 total cpu time spent up to now is 126.1 secs Computing kpt #: 339 total cpu time spent up to now is 126.5 secs Computing kpt #: 340 total cpu time spent up to now is 126.9 secs Computing kpt #: 341 total cpu time spent up to now is 127.3 secs Computing kpt #: 342 total cpu time spent up to now is 127.6 secs Computing kpt #: 343 total cpu time spent up to now is 128.0 secs Computing kpt #: 344 total cpu time spent up to now is 128.3 secs Computing kpt #: 345 total cpu time spent up to now is 128.7 secs Computing kpt #: 346 total cpu time spent up to now is 129.2 secs Computing kpt #: 347 total cpu time spent up to now is 129.6 secs Computing kpt #: 348 total cpu time spent up to now is 130.0 secs Computing kpt #: 349 total cpu time spent up to now is 130.4 secs Computing kpt #: 350 total cpu time spent up to now is 130.8 secs Computing kpt #: 351 total cpu time spent up to now is 131.2 secs Computing kpt #: 352 total cpu time spent up to now is 131.6 secs Computing kpt #: 353 total cpu time spent up to now is 132.0 secs Computing kpt #: 354 total cpu time spent up to now is 132.5 secs Computing kpt #: 355 total cpu time spent up to now is 132.9 secs Computing kpt #: 356 total cpu time spent up to now is 133.4 secs Computing kpt #: 357 total cpu time spent up to now is 133.8 secs Computing kpt #: 358 total cpu time spent up to now is 134.2 secs Computing kpt #: 359 total cpu time spent up to now is 134.5 secs Computing kpt #: 360 total cpu time spent up to now is 134.9 secs Computing kpt #: 361 total cpu time spent up to now is 135.3 secs Computing kpt #: 362 total cpu time spent up to now is 135.7 secs Computing kpt #: 363 total cpu time spent up to now is 136.0 secs ethr = 3.85E-08, avg # of iterations = 21.8 total cpu time spent up to now is 136.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1893 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0063 -26.0063 -26.0063 -26.0063 0.3197 0.3197 9.0314 9.0314 9.2928 9.2928 9.2928 9.2928 10.0504 10.0504 10.0504 10.0504 11.2016 11.2016 11.2337 11.2337 11.2337 11.2337 13.1497 13.1497 13.1497 13.1497 14.8592 14.8592 15.3474 15.3474 k = 0.0093-0.0053 0.0076 ( 1885 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0063 -26.0063 -26.0063 -26.0063 0.3211 0.3211 9.0296 9.0296 9.2886 9.2886 9.2935 9.2935 10.0497 10.0497 10.0547 10.0547 11.2002 11.2002 11.2319 11.2319 11.2330 11.2330 13.1489 13.1489 13.1504 13.1504 14.8572 14.8572 15.3354 15.3354 k = 0.0185-0.0107 0.0151 ( 1885 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0063 -26.0063 -26.0063 -26.0063 0.3251 0.3251 9.0239 9.0239 9.2779 9.2779 9.2941 9.2941 10.0511 10.0511 10.0636 10.0636 11.1961 11.1961 11.2268 11.2268 11.2307 11.2307 13.1471 13.1471 13.1510 13.1510 14.8509 14.8509 15.3034 15.3034 k = 0.0278-0.0160 0.0227 ( 1877 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0063 -26.0063 -26.0063 -26.0063 0.3318 0.3318 9.0135 9.0135 9.2619 9.2619 9.2951 9.2951 10.0541 10.0541 10.0772 10.0772 11.1888 11.1888 11.2189 11.2189 11.2268 11.2268 13.1443 13.1443 13.1521 13.1521 14.8400 14.8400 15.2606 15.2606 k = 0.0370-0.0214 0.0302 ( 1877 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0064 -26.0064 -26.0063 -26.0063 0.3412 0.3412 8.9972 8.9972 9.2427 9.2427 9.2963 9.2963 10.0582 10.0582 10.0946 10.0946 11.1778 11.1778 11.2089 11.2089 11.2214 11.2214 13.1404 13.1404 13.1536 13.1536 14.8239 14.8239 15.2147 15.2147 k = 0.0463-0.0267 0.0378 ( 1877 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0064 -26.0064 -26.0064 -26.0064 0.3533 0.3533 8.9734 8.9734 9.2231 9.2231 9.2979 9.2979 10.0636 10.0636 10.1148 10.1148 11.1628 11.1628 11.1977 11.1977 11.2145 11.2145 13.1354 13.1354 13.1553 13.1553 14.8020 14.8020 15.1710 15.1710 k = 0.0556-0.0321 0.0454 ( 1877 PWs) bands (ev): -52.4449 -52.4449 -26.8355 -26.8355 -26.0065 -26.0065 -26.0064 -26.0064 0.3680 0.3680 8.9409 8.9409 9.2055 9.2055 9.2999 9.2999 10.0702 10.0702 10.1368 10.1368 11.1436 11.1436 11.1857 11.1857 11.2062 11.2062 13.1292 13.1292 13.1572 13.1572 14.7744 14.7744 15.1320 15.1320 k = 0.0648-0.0374 0.0529 ( 1877 PWs) bands (ev): -52.4449 -52.4449 -26.8355 -26.8355 -26.0065 -26.0065 -26.0064 -26.0064 0.3853 0.3853 8.8994 8.8994 9.1912 9.1912 9.3023 9.3023 10.0780 10.0780 10.1597 10.1597 11.1207 11.1207 11.1730 11.1730 11.1964 11.1964 13.1220 13.1220 13.1593 13.1593 14.7416 14.7416 15.0984 15.0984 k = 0.0741-0.0428 0.0605 ( 1876 PWs) bands (ev): -52.4448 -52.4448 -26.8356 -26.8356 -26.0066 -26.0066 -26.0064 -26.0064 0.4052 0.4052 8.8495 8.8495 9.1804 9.1804 9.3050 9.3050 10.0869 10.0869 10.1827 10.1827 11.0948 11.0948 11.1595 11.1595 11.1853 11.1853 13.1137 13.1137 13.1614 13.1614 14.7049 14.7049 15.0695 15.0695 k = 0.0833-0.0481 0.0680 ( 1880 PWs) bands (ev): -52.4448 -52.4448 -26.8356 -26.8356 -26.0066 -26.0066 -26.0065 -26.0065 0.4277 0.4277 8.7924 8.7924 9.1728 9.1728 9.3080 9.3080 10.0971 10.0971 10.2052 10.2052 11.0665 11.0665 11.1451 11.1451 11.1730 11.1730 13.1042 13.1042 13.1633 13.1633 14.6657 14.6657 15.0439 15.0439 k = 0.0926-0.0535 0.0756 ( 1872 PWs) bands (ev): -52.4448 -52.4448 -26.8356 -26.8356 -26.0067 -26.0067 -26.0065 -26.0065 0.4527 0.4527 8.7294 8.7294 9.1676 9.1676 9.3115 9.3115 10.1084 10.1084 10.2266 10.2266 11.0364 11.0364 11.1299 11.1299 11.1596 11.1596 13.0937 13.0937 13.1653 13.1653 14.6253 14.6253 15.0203 15.0203 k = 0.1019-0.0588 0.0832 ( 1876 PWs) bands (ev): -52.4448 -52.4448 -26.8357 -26.8357 -26.0068 -26.0068 -26.0066 -26.0066 0.4802 0.4802 8.6618 8.6618 9.1643 9.1643 9.3153 9.3153 10.1208 10.1208 10.2462 10.2462 11.0052 11.0052 11.1139 11.1139 11.1451 11.1451 13.0821 13.0821 13.1669 13.1669 14.5848 14.5848 14.9971 14.9971 k = 0.1111-0.0642 0.0907 ( 1868 PWs) bands (ev): -52.4448 -52.4448 -26.8358 -26.8358 -26.0069 -26.0069 -26.0066 -26.0066 0.5101 0.5101 8.5904 8.5904 9.1625 9.1625 9.3195 9.3195 10.1344 10.1344 10.2639 10.2639 10.9733 10.9733 11.0973 11.0973 11.1298 11.1298 13.0695 13.0695 13.1683 13.1683 14.5449 14.5449 14.9733 14.9734 k = 0.1204-0.0695 0.0983 ( 1876 PWs) bands (ev): -52.4448 -52.4448 -26.8358 -26.8358 -26.0070 -26.0070 -26.0067 -26.0067 0.5424 0.5424 8.5161 8.5161 9.1617 9.1617 9.3240 9.3240 10.1490 10.1490 10.2789 10.2789 10.9415 10.9415 11.0800 11.0800 11.1136 11.1136 13.0558 13.0558 13.1692 13.1692 14.5061 14.5061 14.9481 14.9481 k = 0.1296-0.0748 0.1058 ( 1876 PWs) bands (ev): -52.4448 -52.4448 -26.8359 -26.8359 -26.0071 -26.0071 -26.0067 -26.0067 0.5770 0.5770 8.4396 8.4396 9.1618 9.1618 9.3289 9.3289 10.1647 10.1647 10.2909 10.2909 10.9103 10.9103 11.0623 11.0623 11.0967 11.0967 13.0410 13.0410 13.1698 13.1698 14.4684 14.4684 14.9207 14.9207 k = 0.1389-0.0802 0.1134 ( 1876 PWs) bands (ev): -52.4448 -52.4448 -26.8360 -26.8360 -26.0073 -26.0073 -26.0068 -26.0068 0.6139 0.6139 8.3614 8.3614 9.1626 9.1626 9.3342 9.3342 10.1814 10.1814 10.2995 10.2995 10.8804 10.8804 11.0443 11.0443 11.0793 11.0793 13.0252 13.0252 13.1699 13.1699 14.4321 14.4321 14.8907 14.8907 k = 0.1481-0.0855 0.1210 ( 1876 PWs) bands (ev): -52.4447 -52.4447 -26.8361 -26.8361 -26.0074 -26.0074 -26.0068 -26.0068 0.6530 0.6530 8.2821 8.2821 9.1640 9.1640 9.3399 9.3399 10.1991 10.1991 10.3040 10.3040 10.8524 10.8524 11.0261 11.0261 11.0615 11.0615 13.0084 13.0084 13.1695 13.1695 14.3971 14.3971 14.8579 14.8579 k = 0.1574-0.0909 0.1285 ( 1876 PWs) bands (ev): -52.4447 -52.4447 -26.8361 -26.8361 -26.0075 -26.0075 -26.0069 -26.0069 0.6942 0.6942 8.2019 8.2019 9.1659 9.1659 9.3459 9.3459 10.2176 10.2176 10.3044 10.3044 10.8268 10.8268 11.0077 11.0077 11.0434 11.0434 12.9906 12.9906 13.1686 13.1686 14.3632 14.3632 14.8220 14.8220 k = 0.1667-0.0962 0.1361 ( 1876 PWs) bands (ev): -52.4447 -52.4447 -26.8362 -26.8362 -26.0077 -26.0077 -26.0070 -26.0070 0.7374 0.7374 8.1215 8.1215 9.1683 9.1683 9.3523 9.3523 10.2364 10.2364 10.3005 10.3005 10.8042 10.8042 10.9894 10.9894 11.0250 11.0250 12.9718 12.9718 13.1672 13.1672 14.3303 14.3303 14.7829 14.7830 k = 0.1759-0.1016 0.1436 ( 1876 PWs) bands (ev): -52.4447 -52.4447 -26.8363 -26.8363 -26.0078 -26.0078 -26.0070 -26.0070 0.7826 0.7826 8.0410 8.0410 9.1710 9.1710 9.3590 9.3590 10.2539 10.2539 10.2941 10.2941 10.7846 10.7846 10.9713 10.9713 11.0066 11.0066 12.9520 12.9520 13.1653 13.1653 14.2981 14.2981 14.7407 14.7407 k = 0.1852-0.1069 0.1512 ( 1876 PWs) bands (ev): -52.4447 -52.4447 -26.8364 -26.8364 -26.0080 -26.0080 -26.0071 -26.0071 0.8297 0.8297 7.9608 7.9608 9.1740 9.1740 9.3661 9.3661 10.2604 10.2604 10.2946 10.2946 10.7682 10.7682 10.9533 10.9533 10.9882 10.9882 12.9313 12.9313 13.1628 13.1628 14.2664 14.2664 14.6955 14.6955 k = 0.1944-0.1123 0.1588 ( 1872 PWs) bands (ev): -52.4446 -52.4446 -26.8365 -26.8365 -26.0082 -26.0082 -26.0072 -26.0072 0.8785 0.8785 7.8813 7.8813 9.1774 9.1774 9.3735 9.3735 10.2476 10.2476 10.3111 10.3111 10.7545 10.7545 10.9357 10.9357 10.9700 10.9700 12.9096 12.9096 13.1598 13.1598 14.2349 14.2349 14.6473 14.6473 k = 0.2037-0.1176 0.1663 ( 1876 PWs) bands (ev): -52.4446 -52.4446 -26.8366 -26.8366 -26.0083 -26.0083 -26.0073 -26.0073 0.9289 0.9289 7.8027 7.8027 9.1810 9.1810 9.3812 9.3812 10.2260 10.2260 10.3330 10.3330 10.7431 10.7431 10.9185 10.9185 10.9519 10.9519 12.8870 12.8870 13.1562 13.1562 14.2034 14.2034 14.5964 14.5964 k = 0.2130-0.1230 0.1739 ( 1876 PWs) bands (ev): -52.4446 -52.4446 -26.8367 -26.8367 -26.0085 -26.0085 -26.0073 -26.0073 0.9809 0.9809 7.7252 7.7252 9.1849 9.1849 9.3893 9.3893 10.2000 10.2000 10.3571 10.3571 10.7334 10.7334 10.9017 10.9017 10.9343 10.9343 12.8635 12.8635 13.1520 13.1520 14.1715 14.1715 14.5431 14.5431 k = 0.2222-0.1283 0.1814 ( 1884 PWs) bands (ev): -52.4446 -52.4446 -26.8368 -26.8368 -26.0087 -26.0087 -26.0074 -26.0074 1.0343 1.0343 7.6492 7.6492 9.1890 9.1890 9.3975 9.3975 10.1709 10.1709 10.3823 10.3823 10.7246 10.7246 10.8855 10.8855 10.9170 10.9170 12.8392 12.8392 13.1473 13.1473 14.1390 14.1390 14.4875 14.4875 k = 0.2315-0.1336 0.1890 ( 1876 PWs) bands (ev): -52.4445 -52.4445 -26.8370 -26.8370 -26.0089 -26.0089 -26.0075 -26.0075 1.0889 1.0889 7.5748 7.5748 9.1934 9.1934 9.4062 9.4062 10.1396 10.1396 10.4085 10.4085 10.7161 10.7161 10.8700 10.8700 10.9003 10.9003 12.8140 12.8140 13.1421 13.1421 14.1055 14.1055 14.4302 14.4302 k = 0.2407-0.1390 0.1966 ( 1876 PWs) bands (ev): -52.4445 -52.4445 -26.8371 -26.8371 -26.0091 -26.0091 -26.0076 -26.0076 1.1447 1.1447 7.5023 7.5023 9.1980 9.1980 9.4151 9.4151 10.1068 10.1068 10.4355 10.4355 10.7074 10.7074 10.8551 10.8551 10.8841 10.8841 12.7880 12.7880 13.1363 13.1363 14.0709 14.0709 14.3711 14.3711 k = 0.2500-0.1443 0.2041 ( 1876 PWs) bands (ev): -52.4445 -52.4445 -26.8372 -26.8372 -26.0093 -26.0093 -26.0076 -26.0076 1.2014 1.2014 7.4318 7.4318 9.2027 9.2027 9.4242 9.4242 10.0729 10.0729 10.4633 10.4633 10.6979 10.6979 10.8409 10.8409 10.8686 10.8686 12.7613 12.7613 13.1300 13.1300 14.0349 14.0349 14.3108 14.3108 k = 0.2593-0.1497 0.2117 ( 1876 PWs) bands (ev): -52.4445 -52.4445 -26.8373 -26.8373 -26.0095 -26.0095 -26.0077 -26.0077 1.2589 1.2589 7.3635 7.3635 9.2076 9.2076 9.4334 9.4334 10.0385 10.0385 10.4916 10.4916 10.6873 10.6873 10.8275 10.8275 10.8539 10.8539 12.7338 12.7338 13.1232 13.1232 13.9973 13.9973 14.2495 14.2495 k = 0.2685-0.1550 0.2192 ( 1876 PWs) bands (ev): -52.4444 -52.4444 -26.8374 -26.8374 -26.0097 -26.0097 -26.0078 -26.0078 1.3170 1.3170 7.2977 7.2977 9.2126 9.2126 9.4429 9.4429 10.0039 10.0039 10.5202 10.5202 10.6752 10.6752 10.8148 10.8148 10.8399 10.8399 12.7056 12.7056 13.1158 13.1158 13.9582 13.9582 14.1876 14.1876 k = 0.2778-0.1604 0.2268 ( 1876 PWs) bands (ev): -52.4444 -52.4444 -26.8376 -26.8376 -26.0099 -26.0099 -26.0079 -26.0079 1.3756 1.3756 7.2344 7.2344 9.2177 9.2177 9.4525 9.4525 9.9693 9.9693 10.5487 10.5487 10.6618 10.6618 10.8030 10.8030 10.8269 10.8269 12.6768 12.6768 13.1079 13.1079 13.9175 13.9175 14.1253 14.1253 k = 0.2870-0.1657 0.2344 ( 1884 PWs) bands (ev): -52.4444 -52.4444 -26.8377 -26.8377 -26.0101 -26.0101 -26.0080 -26.0080 1.4344 1.4344 7.1737 7.1737 9.2229 9.2229 9.4621 9.4621 9.9351 9.9351 10.5755 10.5755 10.6482 10.6482 10.7920 10.7920 10.8148 10.8148 12.6473 12.6473 13.0995 13.0995 13.8753 13.8753 14.0628 14.0628 k = 0.2963-0.1711 0.2419 ( 1868 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0103 -26.0103 -26.0080 -26.0080 1.4933 1.4933 7.1159 7.1159 9.2282 9.2282 9.4720 9.4720 9.9014 9.9014 10.5933 10.5933 10.6416 10.6416 10.7819 10.7819 10.8038 10.8038 12.6175 12.6175 13.0906 13.0906 13.8319 13.8319 14.0008 14.0008 k = 0.3056-0.1764 0.2495 ( 1868 PWs) bands (ev): -52.4443 -52.4443 -26.8379 -26.8379 -26.0105 -26.0105 -26.0081 -26.0081 1.5519 1.5519 7.0609 7.0609 9.2335 9.2335 9.4817 9.4817 9.8685 9.8685 10.5869 10.5869 10.6565 10.6565 10.7727 10.7727 10.7938 10.7938 12.5870 12.5870 13.0812 13.0812 13.7876 13.7876 13.9392 13.9392 k = 0.3148-0.1818 0.2570 ( 1876 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8380 -26.0107 -26.0107 -26.0082 -26.0082 1.6102 1.6102 7.0089 7.0089 9.2387 9.2387 9.4915 9.4915 9.8364 9.8364 10.5660 10.5660 10.6828 10.6828 10.7648 10.7648 10.7850 10.7850 12.5560 12.5560 13.0712 13.0712 13.7428 13.7428 13.8785 13.8785 k = 0.3241-0.1871 0.2646 ( 1876 PWs) bands (ev): -52.4443 -52.4443 -26.8381 -26.8381 -26.0109 -26.0109 -26.0083 -26.0083 1.6678 1.6678 6.9601 6.9601 9.2440 9.2440 9.5011 9.5011 9.8055 9.8055 10.5395 10.5395 10.7101 10.7101 10.7595 10.7595 10.7776 10.7776 12.5248 12.5248 13.0608 13.0608 13.6980 13.6980 13.8189 13.8189 k = 0.3333-0.1925 0.2722 ( 1876 PWs) bands (ev): -52.4443 -52.4443 -26.8383 -26.8383 -26.0111 -26.0111 -26.0083 -26.0083 1.7246 1.7246 6.9143 6.9143 9.2492 9.2492 9.5106 9.5106 9.7757 9.7757 10.5094 10.5094 10.7292 10.7292 10.7619 10.7619 10.7735 10.7735 12.4932 12.4932 13.0499 13.0499 13.6539 13.6539 13.7606 13.7606 k = 0.3426-0.1978 0.2797 ( 1872 PWs) bands (ev): -52.4442 -52.4442 -26.8384 -26.8384 -26.0113 -26.0113 -26.0084 -26.0084 1.7803 1.7803 6.8718 6.8718 9.2543 9.2543 9.5200 9.5200 9.7472 9.7472 10.4763 10.4763 10.7316 10.7316 10.7627 10.7627 10.7900 10.7900 12.4615 12.4615 13.0386 13.0386 13.6108 13.6108 13.7041 13.7041 k = 0.3519-0.2031 0.2873 ( 1872 PWs) bands (ev): -52.4442 -52.4442 -26.8385 -26.8385 -26.0114 -26.0114 -26.0085 -26.0085 1.8345 1.8345 6.8324 6.8324 9.2593 9.2593 9.5291 9.5291 9.7200 9.7200 10.4406 10.4406 10.7278 10.7278 10.7588 10.7588 10.8192 10.8192 12.4296 12.4296 13.0270 13.0270 13.5693 13.5693 13.6495 13.6495 k = 0.3611-0.2085 0.2948 ( 1872 PWs) bands (ev): -52.4442 -52.4442 -26.8386 -26.8386 -26.0116 -26.0116 -26.0085 -26.0085 1.8872 1.8872 6.7962 6.7962 9.2642 9.2642 9.5379 9.5379 9.6944 9.6944 10.4026 10.4026 10.7232 10.7232 10.7553 10.7553 10.8506 10.8506 12.3978 12.3978 13.0151 13.0151 13.5298 13.5298 13.5972 13.5972 k = 0.3704-0.2138 0.3024 ( 1872 PWs) bands (ev): -52.4442 -52.4442 -26.8387 -26.8387 -26.0118 -26.0118 -26.0086 -26.0086 1.9379 1.9379 6.7631 6.7631 9.2689 9.2689 9.5464 9.5464 9.6703 9.6703 10.3629 10.3629 10.7187 10.7187 10.7525 10.7525 10.8824 10.8824 12.3661 12.3661 13.0031 13.0031 13.4923 13.4923 13.5474 13.5474 k = 0.3796-0.2192 0.3100 ( 1868 PWs) bands (ev): -52.4441 -52.4441 -26.8388 -26.8388 -26.0120 -26.0120 -26.0087 -26.0087 1.9866 1.9866 6.7332 6.7332 9.2734 9.2734 9.5544 9.5544 9.6479 9.6479 10.3218 10.3218 10.7147 10.7147 10.7506 10.7506 10.9141 10.9141 12.3348 12.3348 12.9910 12.9910 13.4570 13.4570 13.5008 13.5008 k = 0.3889-0.2245 0.3175 ( 1868 PWs) bands (ev): -52.4441 -52.4441 -26.8389 -26.8389 -26.0121 -26.0121 -26.0087 -26.0087 2.0328 2.0328 6.7063 6.7063 9.2777 9.2777 9.5618 9.5618 9.6274 9.6274 10.2799 10.2799 10.7112 10.7112 10.7493 10.7493 10.9455 10.9455 12.3039 12.3039 12.9791 12.9791 13.4231 13.4231 13.4583 13.4583 k = 0.3981-0.2299 0.3251 ( 1868 PWs) bands (ev): -52.4441 -52.4441 -26.8390 -26.8390 -26.0123 -26.0123 -26.0088 -26.0088 2.0764 2.0764 6.6824 6.6824 9.2818 9.2818 9.5683 9.5683 9.6090 9.6090 10.2378 10.2378 10.7082 10.7082 10.7486 10.7486 10.9763 10.9763 12.2737 12.2737 12.9674 12.9674 13.3897 13.3897 13.4210 13.4210 k = 0.4074-0.2352 0.3326 ( 1868 PWs) bands (ev): -52.4441 -52.4441 -26.8390 -26.8390 -26.0124 -26.0124 -26.0088 -26.0088 2.1171 2.1171 6.6613 6.6613 9.2855 9.2855 9.5725 9.5725 9.5942 9.5942 10.1961 10.1961 10.7057 10.7057 10.7484 10.7484 11.0062 11.0062 12.2444 12.2444 12.9562 12.9562 13.3560 13.3560 13.3894 13.3894 k = 0.4167-0.2406 0.3402 ( 1884 PWs) bands (ev): -52.4441 -52.4441 -26.8391 -26.8391 -26.0125 -26.0125 -26.0088 -26.0088 2.1546 2.1546 6.6429 6.6429 9.2890 9.2890 9.5685 9.5685 9.5888 9.5888 10.1554 10.1554 10.7036 10.7036 10.7485 10.7485 11.0348 11.0348 12.2161 12.2161 12.9456 12.9456 13.3228 13.3228 13.3572 13.3572 k = 0.4259-0.2459 0.3478 ( 1884 PWs) bands (ev): -52.4441 -52.4441 -26.8392 -26.8392 -26.0126 -26.0126 -26.0089 -26.0089 2.1889 2.1889 6.6270 6.6270 9.2922 9.2922 9.5574 9.5574 9.5917 9.5917 10.1167 10.1167 10.7020 10.7020 10.7490 10.7490 11.0620 11.0620 12.1894 12.1894 12.9358 12.9358 13.2916 13.2916 13.3217 13.3217 k = 0.4352-0.2513 0.3553 ( 1876 PWs) bands (ev): -52.4441 -52.4441 -26.8392 -26.8392 -26.0127 -26.0127 -26.0089 -26.0089 2.2196 2.2196 6.6136 6.6136 9.2950 9.2950 9.5463 9.5463 9.5960 9.5960 10.0804 10.0804 10.7008 10.7008 10.7498 10.7498 11.0875 11.0875 12.1644 12.1644 12.9269 12.9269 13.2633 13.2633 13.2892 13.2892 k = 0.4444-0.2566 0.3629 ( 1864 PWs) bands (ev): -52.4440 -52.4440 -26.8393 -26.8393 -26.0128 -26.0128 -26.0090 -26.0090 2.2467 2.2467 6.6024 6.6024 9.2975 9.2975 9.5364 9.5364 9.6001 9.6001 10.0473 10.0473 10.7000 10.7000 10.7507 10.7507 11.1108 11.1108 12.1416 12.1416 12.9190 12.9190 13.2385 13.2385 13.2603 13.2603 k = 0.4537-0.2619 0.3704 ( 1864 PWs) bands (ev): -52.4440 -52.4440 -26.8393 -26.8393 -26.0129 -26.0129 -26.0090 -26.0090 2.2698 2.2698 6.5933 6.5933 9.2997 9.2997 9.5282 9.5282 9.6037 9.6037 10.0179 10.0179 10.6993 10.6993 10.7516 10.7516 11.1315 11.1315 12.1212 12.1212 12.9122 12.9122 13.2172 13.2172 13.2353 13.2353 k = 0.4630-0.2673 0.3780 ( 1864 PWs) bands (ev): -52.4440 -52.4440 -26.8394 -26.8394 -26.0130 -26.0130 -26.0090 -26.0090 2.2889 2.2889 6.5861 6.5861 9.3014 9.3014 9.5215 9.5215 9.6067 9.6067 9.9930 9.9930 10.6989 10.6989 10.7525 10.7525 11.1491 11.1491 12.1038 12.1038 12.9066 12.9066 13.1998 13.1998 13.2145 13.2145 k = 0.4722-0.2726 0.3856 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8394 -26.8394 -26.0130 -26.0130 -26.0090 -26.0090 2.3039 2.3039 6.5806 6.5806 9.3028 9.3028 9.5164 9.5164 9.6090 9.6090 9.9730 9.9730 10.6985 10.6985 10.7532 10.7532 11.1634 11.1634 12.0898 12.0898 12.9021 12.9021 13.1864 13.1864 13.1979 13.1979 k = 0.4815-0.2780 0.3931 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8394 -26.8394 -26.0130 -26.0130 -26.0090 -26.0090 2.3147 2.3147 6.5768 6.5768 9.3037 9.3037 9.5128 9.5128 9.6107 9.6107 9.9583 9.9583 10.6984 10.6984 10.7538 10.7538 11.1740 11.1740 12.0794 12.0794 12.8989 12.8989 13.1770 13.1770 13.1857 13.1857 k = 0.4907-0.2833 0.4007 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8394 -26.8394 -26.0131 -26.0131 -26.0090 -26.0090 2.3212 2.3212 6.5746 6.5746 9.3043 9.3043 9.5107 9.5107 9.6117 9.6117 9.9494 9.9494 10.6983 10.6983 10.7541 10.7541 11.1804 11.1804 12.0730 12.0730 12.8970 12.8970 13.1717 13.1717 13.1780 13.1780 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8394 -26.8394 -26.0131 -26.0131 -26.0090 -26.0090 2.3234 2.3234 6.5738 6.5738 9.3045 9.3045 9.5100 9.5100 9.6121 9.6121 9.9464 9.9464 10.6982 10.6982 10.7543 10.7543 11.1826 11.1826 12.0709 12.0709 12.8964 12.8964 13.1700 13.1700 13.1754 13.1754 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8394 -26.8394 -26.0131 -26.0131 -26.0090 -26.0090 2.3234 2.3234 6.5738 6.5738 9.3045 9.3045 9.5100 9.5100 9.6121 9.6121 9.9464 9.9464 10.6982 10.6982 10.7543 10.7543 11.1826 11.1826 12.0709 12.0709 12.8964 12.8964 13.1700 13.1700 13.1754 13.1754 k = 0.5000-0.2780 0.4158 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8394 -26.0131 -26.0131 -26.0090 -26.0090 2.3235 2.3240 6.5743 6.5756 9.2744 9.2970 9.4851 9.5094 9.6313 9.6399 9.9459 9.9530 10.6981 10.6986 10.7525 10.7560 11.1827 11.1834 12.0740 12.0741 12.8952 12.8975 13.1665 13.1707 13.1754 13.1765 k = 0.5000-0.2673 0.4234 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8394 -26.0131 -26.0130 -26.0090 -26.0090 2.3244 2.3254 6.5770 6.5796 9.2201 9.2533 9.4542 9.4866 9.6776 9.6985 9.9512 9.9649 10.6983 10.6993 10.7506 10.7576 11.1836 11.1851 12.0833 12.0834 12.8941 12.8986 13.1619 13.1683 13.1766 13.1772 k = 0.5000-0.2566 0.4309 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8394 -26.0131 -26.0130 -26.0091 -26.0090 2.3261 2.3276 6.5820 6.5858 9.1534 9.1887 9.4188 9.4524 9.7358 9.7669 9.9609 9.9806 10.6987 10.7003 10.7488 10.7591 11.1855 11.1879 12.0984 12.0986 12.8930 12.8998 13.1567 13.1646 13.1771 13.1772 k = 0.5000-0.2459 0.4385 ( 1866 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8394 -26.0131 -26.0130 -26.0091 -26.0090 2.3285 2.3304 6.5891 6.5943 9.0802 9.1143 9.3770 9.4099 9.7989 9.8379 9.9735 9.9987 10.6994 10.7015 10.7471 10.7606 11.1882 11.1918 12.1189 12.1191 12.8920 12.9010 13.1508 13.1602 13.1764 13.1765 k = 0.5000-0.2352 0.4460 ( 1860 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8393 -26.0131 -26.0129 -26.0091 -26.0091 2.3316 2.3340 6.5985 6.6050 9.0036 9.0353 9.3289 9.3609 9.8627 9.9088 9.9874 10.0185 10.7002 10.7030 10.7455 10.7622 11.1918 11.1969 12.1440 12.1443 12.8909 12.9022 13.1446 13.1551 13.1744 13.1752 k = 0.5000-0.2245 0.4536 ( 1862 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8393 -26.0131 -26.0129 -26.0091 -26.0091 2.3354 2.3383 6.6100 6.6179 8.9252 8.9539 9.2757 9.3068 9.9239 9.9781 10.0016 10.0401 10.7012 10.7045 10.7443 10.7638 11.1965 11.2034 12.1731 12.1735 12.8898 12.9034 13.1379 13.1494 13.1711 13.1730 k = 0.5000-0.2138 0.4612 ( 1862 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8393 -26.0131 -26.0128 -26.0091 -26.0091 2.3398 2.3431 6.6238 6.6331 8.8457 8.8713 9.2187 9.2490 9.9781 10.0144 10.0462 10.0666 10.7022 10.7062 10.7434 10.7656 11.2022 11.2114 12.2053 12.2058 12.8887 12.9046 13.1309 13.1431 13.1666 13.1702 k = 0.5000-0.2031 0.4687 ( 1862 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8393 -26.0130 -26.0127 -26.0091 -26.0091 2.3447 2.3485 6.6397 6.6505 8.7659 8.7883 9.1591 9.1885 10.0186 10.0271 10.1033 10.1104 10.7032 10.7080 10.7430 10.7675 11.2090 11.2212 12.2400 12.2406 12.8877 12.9059 13.1235 13.1363 13.1611 13.1668 k = 0.5000-0.1925 0.4763 ( 1862 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8392 -26.0130 -26.0127 -26.0092 -26.0091 2.3501 2.3544 6.6577 6.6702 8.6861 8.7052 9.0977 9.1265 10.0385 10.0445 10.1506 10.1715 10.7042 10.7098 10.7431 10.7696 11.2170 11.2327 12.2764 12.2771 12.8866 12.9072 13.1157 13.1291 13.1546 13.1628 k = 0.5000-0.1818 0.4838 ( 1862 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8392 -26.0130 -26.0126 -26.0092 -26.0092 2.3560 2.3607 6.6778 6.6921 8.6066 8.6225 9.0355 9.0636 10.0487 10.0619 10.2020 10.2289 10.7051 10.7115 10.7437 10.7717 11.2263 11.2464 12.3139 12.3147 12.8856 12.9086 13.1075 13.1214 13.1472 13.1583 k = 0.5000-0.1711 0.4914 ( 1862 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8392 -26.0130 -26.0125 -26.0092 -26.0092 2.3622 2.3673 6.7001 6.7162 8.5277 8.5402 8.9732 9.0008 10.0576 10.0748 10.2530 10.2822 10.7058 10.7133 10.7447 10.7737 11.2370 11.2621 12.3519 12.3529 12.8845 12.9100 13.0989 13.1134 13.1389 13.1533 k = 0.5000-0.1604 0.4990 ( 1858 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8392 -26.0129 -26.0125 -26.0092 -26.0092 2.3687 2.3742 6.7244 6.7425 8.4496 8.4587 8.9116 8.9387 10.0654 10.0851 10.3017 10.3314 10.7064 10.7150 10.7460 10.7756 11.2491 11.2801 12.3899 12.3912 12.8835 12.9115 13.0897 13.1051 13.1298 13.1480 k = 0.5000-0.1497 0.5065 ( 1860 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8391 -26.0129 -26.0124 -26.0093 -26.0092 2.3754 2.3813 6.7507 6.7710 8.3725 8.3781 8.8512 8.8779 10.0721 10.0936 10.3473 10.3763 10.7069 10.7166 10.7474 10.7771 11.2624 11.3001 12.4277 12.4291 12.8824 12.9130 13.0799 13.0965 13.1200 13.1422 k = 0.5000-0.1390 0.5141 ( 1860 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8391 -26.0128 -26.0123 -26.0093 -26.0093 2.3822 2.3885 6.7789 6.8017 8.2965 8.2984 8.7926 8.8190 10.0779 10.1005 10.3895 10.4171 10.7073 10.7181 10.7488 10.7781 11.2771 11.3219 12.4649 12.4666 12.8812 12.9146 13.0695 13.0876 13.1095 13.1363 k = 0.5000-0.1283 0.5217 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8391 -26.0128 -26.0122 -26.0093 -26.0093 2.3889 2.3956 6.8090 6.8345 8.2200 8.2219 8.7364 8.7625 10.0828 10.1063 10.4280 10.4539 10.7076 10.7194 10.7500 10.7785 11.2928 11.3453 12.5013 12.5032 12.8800 12.9161 13.0584 13.0783 13.0985 13.1301 k = 0.5000-0.1176 0.5292 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8391 -26.0128 -26.0122 -26.0094 -26.0093 2.3956 2.4026 6.8410 6.8695 8.1427 8.1489 8.6830 8.7088 10.0869 10.1112 10.4630 10.4869 10.7077 10.7207 10.7509 10.7781 11.3094 11.3698 12.5367 12.5390 12.8788 12.9177 13.0465 13.0684 13.0873 13.1238 k = 0.5000-0.1069 0.5368 ( 1864 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8390 -26.0127 -26.0121 -26.0094 -26.0094 2.4021 2.4095 6.8746 6.9067 8.0668 8.0775 8.6329 8.6584 10.0905 10.1152 10.4946 10.5166 10.7078 10.7218 10.7514 10.7768 11.3265 11.3950 12.5711 12.5738 12.8776 12.9194 13.0339 13.0573 13.0766 13.1176 k = 0.5000-0.0962 0.5443 ( 1864 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8390 -26.0127 -26.0120 -26.0094 -26.0094 2.4084 2.4160 6.9098 6.9460 7.9923 8.0080 8.5863 8.6117 10.0934 10.1185 10.5230 10.5433 10.7076 10.7227 10.7513 10.7747 11.3438 11.4201 12.6044 12.6076 12.8764 12.9210 13.0204 13.0447 13.0669 13.1115 k = 0.5000-0.0855 0.5519 ( 1864 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8390 -26.0126 -26.0119 -26.0095 -26.0094 2.4142 2.4221 6.9463 6.9874 7.9192 7.9407 8.5438 8.5689 10.0958 10.1212 10.5483 10.5673 10.7073 10.7234 10.7508 10.7718 11.3607 11.4445 12.6366 12.6403 12.8751 12.9226 13.0060 13.0303 13.0585 13.1056 k = 0.5000-0.0748 0.5595 ( 1868 PWs) bands (ev): -52.4441 -52.4440 -26.8395 -26.8390 -26.0126 -26.0119 -26.0095 -26.0094 2.4196 2.4278 6.9838 7.0309 7.8477 7.8759 8.5055 8.5305 10.0977 10.1234 10.5710 10.5889 10.7065 10.7237 10.7497 10.7681 11.3770 11.4678 12.6677 12.6719 12.8738 12.9242 12.9906 13.0143 13.0512 13.1000 k = 0.5000-0.0642 0.5670 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8390 -26.0126 -26.0118 -26.0096 -26.0095 2.4245 2.4328 7.0219 7.0765 7.7779 7.8140 8.4718 8.4967 10.0992 10.1252 10.5911 10.6084 10.7054 10.7236 10.7482 10.7638 11.3921 11.4892 12.6976 12.7024 12.8726 12.9257 12.9743 12.9971 13.0449 13.0948 k = 0.5000-0.0535 0.5746 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8390 -26.0125 -26.0117 -26.0096 -26.0095 2.4287 2.4373 7.0600 7.1241 7.7096 7.7558 8.4428 8.4676 10.1005 10.1266 10.6090 10.6262 10.7037 10.7228 10.7464 10.7592 11.4056 11.5083 12.7264 12.7318 12.8714 12.9269 12.9571 12.9787 13.0396 13.0902 k = 0.5000-0.0428 0.5821 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0117 -26.0096 -26.0095 2.4323 2.4410 7.0970 7.1736 7.6432 7.7024 8.4188 8.4436 10.1015 10.1277 10.6248 10.6423 10.7013 10.7211 10.7445 10.7546 11.4172 11.5246 12.7541 12.7601 12.8705 12.9276 12.9394 12.9593 13.0353 13.0862 k = 0.5000-0.0321 0.5897 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0096 -26.0095 2.4351 2.4439 7.1313 7.2250 7.5786 7.6553 8.4000 8.4247 10.1022 10.1285 10.6386 10.6569 10.6982 10.7179 10.7427 10.7506 11.4266 11.5377 12.7806 12.7869 12.8698 12.9182 12.9305 12.9391 13.0319 13.0830 k = 0.5000-0.0214 0.5973 ( 1880 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4372 2.4461 7.1602 7.2781 7.5161 7.6171 8.3865 8.4112 10.1027 10.1290 10.6500 10.6698 10.6942 10.7130 10.7412 10.7476 11.4334 11.5472 12.8060 12.8120 12.8695 12.8986 12.9184 12.9307 13.0294 13.0806 k = 0.5000-0.0107 0.6048 ( 1880 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4384 2.4474 7.1802 7.3319 7.4566 7.5916 8.3784 8.4030 10.1030 10.1294 10.6586 10.6806 10.6902 10.7070 10.7403 10.7458 11.4376 11.5530 12.8301 12.8336 12.8705 12.8777 12.8984 12.9310 13.0279 13.0792 k = 0.5000-0.0000 0.6124 ( 1888 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4388 2.4478 7.1875 7.3719 7.4148 7.5825 8.3756 8.4003 10.1030 10.1294 10.6620 10.6859 10.6882 10.7032 10.7399 10.7452 11.4389 11.5549 12.8438 12.8482 12.8607 12.8736 12.8858 12.9311 13.0274 13.0787 k = 0.5000-0.0000 0.6124 ( 1888 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4388 2.4478 7.1875 7.3719 7.4148 7.5825 8.3756 8.4003 10.1030 10.1294 10.6620 10.6859 10.6882 10.7032 10.7399 10.7452 11.4389 11.5549 12.8438 12.8482 12.8607 12.8736 12.8858 12.9311 13.0274 13.0787 k = 0.4938 0.0108 0.6124 ( 1876 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4383 2.4473 7.1832 7.3492 7.4363 7.5857 8.3786 8.4035 10.1030 10.1294 10.6605 10.6836 10.6897 10.7055 10.7393 10.7472 11.4378 11.5534 12.8313 12.8428 12.8608 12.8812 12.8905 12.9394 13.0284 13.0796 k = 0.4875 0.0217 0.6124 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4369 2.4459 7.1716 7.3152 7.4666 7.5936 8.3879 8.4136 10.1028 10.1292 10.6569 10.6787 10.6928 10.7104 10.7379 10.7519 11.4341 11.5484 12.8134 12.8350 12.8554 12.8779 12.9139 12.9588 13.0308 13.0820 k = 0.4813 0.0325 0.6124 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0096 -26.0095 2.4348 2.4437 7.1547 7.2813 7.4934 7.6034 8.4039 8.4305 10.1020 10.1287 10.6531 10.6736 10.6960 10.7167 10.7364 10.7584 11.4278 11.5400 12.7972 12.8257 12.8512 12.8732 12.9396 12.9822 13.0345 13.0857 k = 0.4750 0.0433 0.6124 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0096 -26.0095 2.4320 2.4409 7.1345 7.2488 7.5154 7.6131 8.4264 8.4542 10.1008 10.1277 10.6498 10.6691 10.6986 10.7239 10.7351 10.7662 11.4188 11.5281 12.7830 12.8159 12.8493 12.8699 12.9653 13.0065 13.0394 13.0902 k = 0.4688 0.0541 0.6124 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0117 -26.0096 -26.0094 2.4287 2.4375 7.1126 7.2181 7.5322 7.6212 8.4552 8.4840 10.0989 10.1261 10.6475 10.6658 10.7005 10.7307 10.7348 10.7748 11.4071 11.5128 12.7709 12.8064 12.8497 12.8688 12.9907 13.0298 13.0463 13.0953 k = 0.4625 0.0650 0.6124 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0117 -26.0096 -26.0094 2.4251 2.4338 7.0899 7.1891 7.5442 7.6271 8.4895 8.5191 10.0964 10.1239 10.6464 10.6637 10.7021 10.7319 10.7410 10.7841 11.3929 11.4943 12.7604 12.7975 12.8525 12.8701 13.0154 13.0452 13.0615 13.1011 k = 0.4562 0.0758 0.6124 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0117 -26.0095 -26.0094 2.4212 2.4299 7.0672 7.1620 7.5520 7.6305 8.5283 8.5585 10.0933 10.1210 10.6466 10.6631 10.7033 10.7313 10.7493 10.7937 11.3764 11.4728 12.7514 12.7892 12.8575 12.8739 13.0386 13.0538 13.0840 13.1076 k = 0.4500 0.0866 0.6124 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0125 -26.0117 -26.0095 -26.0093 2.4172 2.4258 7.0451 7.1368 7.5562 7.6318 8.5703 8.6009 10.0895 10.1174 10.6480 10.6637 10.7045 10.7311 10.7577 10.8035 11.3578 11.4487 12.7436 12.7814 12.8645 12.8802 13.0543 13.0677 13.1052 13.1171 k = 0.4437 0.0974 0.6124 ( 1866 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0118 -26.0095 -26.0093 2.4132 2.4216 7.0240 7.1135 7.5576 7.6311 8.6145 8.6451 10.0852 10.1132 10.6508 10.6657 10.7058 10.7316 10.7659 10.8132 11.3374 11.4225 12.7367 12.7743 12.8732 12.8888 13.0615 13.0879 13.1183 13.1361 k = 0.4375 0.1083 0.6124 ( 1869 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0118 -26.0094 -26.0092 2.4092 2.4175 7.0042 7.0921 7.5569 7.6291 8.6596 8.6898 10.0806 10.1082 10.6546 10.6685 10.7074 10.7330 10.7736 10.8227 11.3158 11.3945 12.7307 12.7677 12.8832 12.8991 13.0669 13.1047 13.1313 13.1588 k = 0.4313 0.1191 0.6124 ( 1875 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0118 -26.0094 -26.0092 2.4053 2.4136 6.9859 7.0727 7.5548 7.6260 8.7044 8.7339 10.0758 10.1028 10.6591 10.6720 10.7095 10.7358 10.7806 10.8317 11.2933 11.3654 12.7254 12.7616 12.8941 12.9105 13.0717 13.1149 13.1500 13.1816 k = 0.4250 0.1299 0.6124 ( 1875 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0119 -26.0094 -26.0091 2.4016 2.4098 6.9692 7.0552 7.5516 7.6224 8.7480 8.7762 10.0710 10.0969 10.6639 10.6758 10.7121 10.7404 10.7867 10.8400 11.2706 11.3357 12.7206 12.7562 12.9054 12.9225 13.0760 13.1210 13.1718 13.2035 k = 0.4188 0.1407 0.6124 ( 1871 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0119 -26.0093 -26.0091 2.3982 2.4063 6.9542 7.0398 7.5480 7.6185 8.7893 8.8159 10.0665 10.0908 10.6684 10.6798 10.7157 10.7470 10.7917 10.8474 11.2483 11.3062 12.7165 12.7514 12.9166 12.9344 13.0799 13.1254 13.1942 13.2240 k = 0.4125 0.1516 0.6124 ( 1871 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0119 -26.0093 -26.0091 2.3952 2.4032 6.9411 7.0264 7.5442 7.6146 8.8274 8.8519 10.0623 10.0847 10.6719 10.6838 10.7206 10.7556 10.7952 10.8536 11.2271 11.2774 12.7130 12.7472 12.9274 12.9457 13.0831 13.1289 13.2161 13.2427 k = 0.4062 0.1624 0.6124 ( 1867 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0119 -26.0093 -26.0090 2.3925 2.4005 6.9299 7.0150 7.5405 7.6110 8.8616 8.8835 10.0588 10.0786 10.6744 10.6871 10.7273 10.7656 10.7971 10.8586 11.2077 11.2504 12.7100 12.7437 12.9372 12.9558 13.0860 13.1316 13.2365 13.2590 k = 0.4000 0.1732 0.6124 ( 1868 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0093 -26.0090 2.3902 2.3982 6.9207 7.0057 7.5373 7.6077 8.8910 8.9099 10.0561 10.0728 10.6760 10.6896 10.7356 10.7765 10.7971 10.8619 11.1910 11.2257 12.7076 12.7407 12.9457 12.9645 13.0882 13.1337 13.2547 13.2725 k = 0.3937 0.1840 0.6124 ( 1868 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3885 2.3964 6.9135 6.9984 7.5346 7.6051 8.9150 8.9307 10.0543 10.0676 10.6771 10.6913 10.7451 10.7870 10.7955 10.8636 11.1777 11.2043 12.7057 12.7384 12.9526 12.9715 13.0900 13.1353 13.2698 13.2829 k = 0.3875 0.1949 0.6124 ( 1866 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3872 2.3950 6.9083 6.9932 7.5326 7.6032 8.9330 8.9454 10.0536 10.0631 10.6777 10.6923 10.7551 10.7901 10.7981 10.8639 11.1685 11.1872 12.7043 12.7368 12.9577 12.9766 13.0912 13.1364 13.2810 13.2905 k = 0.3812 0.2057 0.6124 ( 1870 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3864 2.3942 6.9052 6.9901 7.5313 7.6020 8.9444 8.9540 10.0538 10.0597 10.6780 10.6928 10.7644 10.7850 10.8045 10.8633 11.1640 11.1753 12.7035 12.7358 12.9608 12.9797 13.0919 13.1370 13.2877 13.2951 k = 0.3750 0.2165 0.6124 ( 1878 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3861 2.3940 6.9041 6.9890 7.5309 7.6016 8.9483 8.9568 10.0542 10.0580 10.6781 10.6929 10.7697 10.7810 10.8070 10.8630 11.1631 11.1705 12.7032 12.7355 12.9618 12.9807 13.0922 13.1372 13.2899 13.2966 k = 0.3750 0.2165 0.6124 ( 1878 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3861 2.3940 6.9041 6.9890 7.5309 7.6016 8.9483 8.9568 10.0542 10.0580 10.6781 10.6929 10.7697 10.7810 10.8070 10.8630 11.1631 11.1705 12.7032 12.7355 12.9618 12.9807 13.0922 13.1372 13.2899 13.2966 k = 0.3685 0.2128 0.6018 ( 1878 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0126 -26.0119 -26.0092 -26.0089 2.3842 2.3922 6.9243 7.0309 7.4443 7.5378 8.9148 8.9231 10.0726 10.0760 10.6728 10.6900 10.7868 10.7993 10.8316 10.9149 11.1572 11.1646 12.6783 12.7131 13.0110 13.0288 13.1024 13.1452 13.2984 13.3033 k = 0.3621 0.2090 0.5913 ( 1878 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0126 -26.0119 -26.0092 -26.0089 2.3804 2.3886 6.9383 7.0740 7.3629 7.4868 8.8822 8.8905 10.0911 10.0941 10.6669 10.6860 10.7922 10.8092 10.8753 10.9660 11.1511 11.1588 12.6531 12.6902 13.0516 13.0674 13.1144 13.1545 13.3087 13.3110 k = 0.3556 0.2053 0.5807 ( 1878 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0126 -26.0118 -26.0091 -26.0088 2.3744 2.3827 6.9437 7.1171 7.2885 7.4511 8.8508 8.8589 10.1098 10.1122 10.6606 10.6811 10.7972 10.8158 10.9209 11.0159 11.1451 11.1532 12.6279 12.6674 13.0838 13.0970 13.1282 13.1650 13.3199 13.3207 k = 0.3491 0.2016 0.5701 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8392 -26.8387 -26.0125 -26.0118 -26.0091 -26.0088 2.3661 2.3745 6.9391 7.1511 7.2305 7.4329 8.8205 8.8285 10.1285 10.1304 10.6538 10.6757 10.8019 10.8217 10.9649 11.0644 11.1392 11.1483 12.6033 12.6449 13.1091 13.1197 13.1439 13.1770 13.3301 13.3346 k = 0.3427 0.1978 0.5596 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8392 -26.8387 -26.0125 -26.0117 -26.0090 -26.0087 2.3553 2.3637 6.9246 7.1290 7.2362 7.4320 8.7915 8.7994 10.1471 10.1483 10.6464 10.6697 10.8062 10.8271 11.0061 11.1109 11.1335 11.1447 12.5795 12.6232 13.1292 13.1374 13.1614 13.1904 13.3419 13.3503 k = 0.3362 0.1941 0.5490 ( 1866 PWs) bands (ev): -52.4441 -52.4441 -26.8391 -26.8386 -26.0125 -26.0117 -26.0089 -26.0086 2.3417 2.3500 6.9030 7.0758 7.2807 7.4461 8.7639 8.7717 10.1654 10.1659 10.6387 10.6633 10.8100 10.8322 11.0425 11.1280 11.1439 11.1553 12.5571 12.6027 13.1454 13.1515 13.1804 13.2056 13.3552 13.3677 k = 0.3297 0.1904 0.5385 ( 1866 PWs) bands (ev): -52.4441 -52.4441 -26.8391 -26.8386 -26.0124 -26.0117 -26.0088 -26.0086 2.3251 2.3334 6.8776 7.0243 7.3317 7.4720 8.7377 8.7454 10.1830 10.1834 10.6304 10.6564 10.8132 10.8368 11.0705 11.1230 11.1491 11.1968 12.5365 12.5837 13.1589 13.1628 13.2013 13.2227 13.3700 13.3869 k = 0.3233 0.1866 0.5279 ( 1870 PWs) bands (ev): -52.4442 -52.4441 -26.8390 -26.8385 -26.0124 -26.0116 -26.0088 -26.0085 2.3055 2.3136 6.8516 6.9783 7.3854 7.5068 8.7130 8.7207 10.1996 10.2010 10.6217 10.6491 10.8158 10.8408 11.0862 11.1185 11.1641 11.2350 12.5181 12.5668 13.1701 13.1721 13.2242 13.2420 13.3866 13.4079 k = 0.3168 0.1829 0.5173 ( 1870 PWs) bands (ev): -52.4442 -52.4441 -26.8390 -26.8385 -26.0123 -26.0116 -26.0087 -26.0084 2.2827 2.2907 6.8275 6.9387 7.4410 7.5481 8.6899 8.6975 10.2156 10.2180 10.6125 10.6414 10.8176 10.8441 11.0916 11.1146 11.1865 11.2696 12.5025 12.5522 13.1794 13.1797 13.2494 13.2638 13.4048 13.4305 k = 0.3103 0.1792 0.5068 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8389 -26.8384 -26.0123 -26.0116 -26.0086 -26.0083 2.2567 2.2644 6.8070 6.9060 7.4983 7.5943 8.6685 8.6760 10.2309 10.2344 10.6030 10.6335 10.8185 10.8466 11.0923 11.1115 11.2106 11.2999 12.4902 12.5404 13.1859 13.1871 13.2771 13.2881 13.4247 13.4549 k = 0.3039 0.1754 0.4962 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8389 -26.8383 -26.0122 -26.0115 -26.0085 -26.0082 2.2273 2.2348 6.7912 6.8804 7.5570 7.6442 8.6487 8.6562 10.2452 10.2500 10.5930 10.6252 10.8185 10.8483 11.0913 11.1090 11.2328 11.3256 12.4816 12.5318 13.1910 13.1936 13.3072 13.3149 13.4463 13.4808 k = 0.2974 0.1717 0.4857 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8388 -26.8383 -26.0122 -26.0115 -26.0084 -26.0081 2.1947 2.2019 6.7807 6.8618 7.6170 7.6972 8.6307 8.6382 10.2585 10.2648 10.5828 10.6169 10.8175 10.8489 11.0901 11.1074 11.2517 11.3463 12.4770 12.5266 13.1952 13.1990 13.3398 13.3444 13.4696 13.5083 k = 0.2909 0.1680 0.4751 ( 1865 PWs) bands (ev): -52.4442 -52.4442 -26.8387 -26.8382 -26.0121 -26.0114 -26.0083 -26.0080 2.1589 2.1657 6.7762 6.8504 7.6782 7.7525 8.6145 8.6220 10.2707 10.2787 10.5723 10.6084 10.8156 10.8484 11.0892 11.1065 11.2666 11.3618 12.4768 12.5250 13.1986 13.2035 13.3748 13.3766 13.4946 13.5373 k = 0.2845 0.1642 0.4646 ( 1865 PWs) bands (ev): -52.4442 -52.4442 -26.8386 -26.8382 -26.0120 -26.0114 -26.0082 -26.0079 2.1200 2.1265 6.7778 6.8461 7.7404 7.8098 8.6002 8.6076 10.2818 10.2915 10.5618 10.6000 10.8126 10.8468 11.0888 11.1064 11.2770 11.3719 12.4809 12.5270 13.2012 13.2071 13.4114 13.4122 13.5213 13.5677 k = 0.2780 0.1605 0.4540 ( 1873 PWs) bands (ev): -52.4442 -52.4442 -26.8386 -26.8381 -26.0120 -26.0113 -26.0081 -26.0078 2.0781 2.0842 6.7856 6.8487 7.8035 7.8687 8.5877 8.5951 10.2915 10.3030 10.5511 10.5916 10.8085 10.8440 11.0891 11.1071 11.2830 11.3767 12.4892 12.5326 13.2033 13.2100 13.4488 13.4519 13.5495 13.5993 k = 0.2716 0.1568 0.4434 ( 1869 PWs) bands (ev): -52.4443 -52.4442 -26.8385 -26.8380 -26.0119 -26.0113 -26.0080 -26.0078 2.0334 2.0392 6.7997 6.8582 7.8674 7.9289 8.5772 8.5846 10.2999 10.3134 10.5407 10.5835 10.8035 10.8400 11.0902 11.1085 11.2846 11.3765 12.5015 12.5417 13.2047 13.2123 13.4888 13.4939 13.5793 13.6321 k = 0.2651 0.1530 0.4329 ( 1867 PWs) bands (ev): -52.4443 -52.4443 -26.8384 -26.8380 -26.0118 -26.0112 -26.0079 -26.0077 1.9862 1.9915 6.8200 6.8743 7.9318 7.9900 8.5688 8.5762 10.3069 10.3224 10.5305 10.5758 10.7975 10.8349 11.0921 11.1106 11.2822 11.3718 12.5175 12.5540 13.2056 13.2139 13.5314 13.5380 13.6105 13.6659 k = 0.2586 0.1493 0.4223 ( 1871 PWs) bands (ev): -52.4443 -52.4443 -26.8383 -26.8379 -26.0117 -26.0111 -26.0077 -26.0076 1.9365 1.9414 6.8463 6.8968 7.9965 8.0517 8.5625 8.5699 10.3123 10.3297 10.5208 10.5685 10.7906 10.8286 11.0945 11.1132 11.2760 11.3630 12.5366 12.5691 13.2061 13.2150 13.5763 13.5841 13.6429 13.7004 k = 0.2522 0.1456 0.4118 ( 1863 PWs) bands (ev): -52.4443 -52.4443 -26.8382 -26.8378 -26.0116 -26.0110 -26.0076 -26.0075 1.8847 1.8893 6.8784 6.9254 8.0613 8.1137 8.5586 8.5660 10.3164 10.3355 10.5120 10.5618 10.7828 10.8214 11.0976 11.1164 11.2667 11.3508 12.5582 12.5866 13.2060 13.2156 13.6237 13.6321 13.6764 13.7355 k = 0.2457 0.1418 0.4012 ( 1871 PWs) bands (ev): -52.4443 -52.4443 -26.8381 -26.8377 -26.0115 -26.0109 -26.0076 -26.0074 1.8311 1.8352 6.9162 6.9599 8.1257 8.1754 8.5570 8.5645 10.3189 10.3394 10.5039 10.5556 10.7741 10.8130 11.1010 11.1199 11.2544 11.3356 12.5819 12.6061 13.2056 13.2157 13.6731 13.6816 13.7109 13.7708 k = 0.2392 0.1381 0.3907 ( 1871 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8377 -26.0113 -26.0108 -26.0075 -26.0073 1.7758 1.7796 6.9592 6.9999 8.1894 8.2364 8.5583 8.5660 10.3201 10.3415 10.4972 10.5501 10.7646 10.8038 11.1049 11.1237 11.2399 11.3181 12.6071 12.6272 13.2048 13.2154 13.7246 13.7321 13.7467 13.8063 k = 0.2328 0.1344 0.3801 ( 1871 PWs) bands (ev): -52.4444 -52.4444 -26.8379 -26.8376 -26.0112 -26.0107 -26.0074 -26.0072 1.7192 1.7227 7.0073 7.0452 8.2515 8.2958 8.5629 8.5710 10.3202 10.3416 10.4918 10.5453 10.7543 10.7936 11.1090 11.1278 11.2237 11.2990 12.6333 12.6495 13.2036 13.2147 13.7770 13.7777 13.7898 13.8418 k = 0.2263 0.1307 0.3695 ( 1873 PWs) bands (ev): -52.4444 -52.4444 -26.8379 -26.8375 -26.0111 -26.0106 -26.0073 -26.0072 1.6615 1.6646 7.0602 7.0953 8.3110 8.3522 8.5715 8.5805 10.3192 10.3401 10.4877 10.5411 10.7433 10.7826 11.1132 11.1320 11.2063 11.2786 12.6601 12.6726 13.2021 13.2137 13.8132 13.8315 13.8429 13.8777 k = 0.2198 0.1269 0.3590 ( 1871 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8374 -26.0109 -26.0105 -26.0072 -26.0071 1.6030 1.6058 7.1175 7.1500 8.3664 8.4038 8.5857 8.5962 10.3175 10.3370 10.4850 10.5375 10.7316 10.7708 11.1173 11.1364 11.1884 11.2577 12.6872 12.6963 13.2003 13.2123 13.8478 13.8833 13.8986 13.9164 k = 0.2134 0.1232 0.3484 ( 1883 PWs) bands (ev): -52.4444 -52.4444 -26.8377 -26.8373 -26.0108 -26.0104 -26.0071 -26.0070 1.5440 1.5465 7.1788 7.2088 8.4155 8.4481 8.6070 8.6202 10.3152 10.3326 10.4834 10.5343 10.7190 10.7580 11.1207 11.1406 11.1708 11.2365 12.7142 12.7201 13.1982 13.2106 13.8813 13.9264 13.9557 13.9642 k = 0.2069 0.1195 0.3379 ( 1879 PWs) bands (ev): -52.4444 -52.4444 -26.8376 -26.8373 -26.0106 -26.0103 -26.0070 -26.0069 1.4846 1.4869 7.2440 7.2716 8.4564 8.4836 8.6374 8.6538 10.3127 10.3276 10.4830 10.5317 10.7059 10.7446 11.1220 11.1448 11.1553 11.2156 12.7410 12.7440 13.1960 13.2087 13.9137 13.9607 14.0141 14.0208 k = 0.2004 0.1157 0.3273 ( 1881 PWs) bands (ev): -52.4445 -52.4445 -26.8375 -26.8372 -26.0105 -26.0101 -26.0070 -26.0069 1.4251 1.4272 7.3125 7.3377 8.4889 8.5111 8.6766 8.6957 10.3103 10.3220 10.4834 10.5295 10.6920 10.7304 11.1172 11.1465 11.1487 11.1956 12.7674 12.7677 13.1936 13.2066 13.9448 13.9909 14.0735 14.0811 k = 0.1940 0.1120 0.3167 ( 1885 PWs) bands (ev): -52.4445 -52.4445 -26.8374 -26.8371 -26.0103 -26.0100 -26.0069 -26.0068 1.3658 1.3676 7.3841 7.4070 8.5148 8.5334 8.7224 8.7429 10.3081 10.3163 10.4846 10.5276 10.6774 10.7153 11.1049 11.1458 11.1513 11.1777 12.7911 12.7930 13.1910 13.2043 13.9745 14.0186 14.1338 14.1432 k = 0.1875 0.1083 0.3062 ( 1889 PWs) bands (ev): -52.4445 -52.4445 -26.8372 -26.8370 -26.0101 -26.0098 -26.0068 -26.0068 1.3069 1.3084 7.4584 7.4791 8.5369 8.5531 8.7715 8.7924 10.3065 10.3108 10.4865 10.5262 10.6621 10.6994 11.0902 11.1479 11.1486 11.1668 12.8140 12.8180 13.1883 13.2018 14.0027 14.0443 14.1947 14.2065 k = 0.1810 0.1045 0.2956 ( 1889 PWs) bands (ev): -52.4445 -52.4445 -26.8371 -26.8369 -26.0099 -26.0097 -26.0068 -26.0067 1.2484 1.2498 7.5350 7.5535 8.5574 8.5719 8.8217 8.8421 10.3056 10.3056 10.4893 10.5253 10.6462 10.6827 11.0758 11.1352 11.1524 11.1667 12.8363 12.8422 13.1855 13.1992 14.0295 14.0683 14.2559 14.2703 k = 0.1746 0.1008 0.2851 ( 1889 PWs) bands (ev): -52.4446 -52.4446 -26.8370 -26.8368 -26.0098 -26.0095 -26.0067 -26.0067 1.1908 1.1920 7.6136 7.6300 8.5773 8.5907 8.8712 8.8906 10.3007 10.3053 10.4931 10.5253 10.6296 10.6652 11.0627 11.1210 11.1566 11.1697 12.8580 12.8654 13.1827 13.1965 14.0549 14.0908 14.3173 14.3344 k = 0.1681 0.0971 0.2745 ( 1895 PWs) bands (ev): -52.4446 -52.4446 -26.8369 -26.8368 -26.0096 -26.0094 -26.0067 -26.0066 1.1340 1.1351 7.6938 7.7080 8.5976 8.6102 8.9189 8.9370 10.2961 10.3056 10.4980 10.5264 10.6126 10.6468 11.0512 11.1081 11.1608 11.1732 12.8790 12.8878 13.1798 13.1938 14.0792 14.1121 14.3784 14.3984 k = 0.1616 0.0933 0.2640 ( 1891 PWs) bands (ev): -52.4446 -52.4446 -26.8368 -26.8367 -26.0094 -26.0092 -26.0066 -26.0066 1.0783 1.0792 7.7752 7.7873 8.6185 8.6306 8.9640 8.9807 10.2916 10.3061 10.5041 10.5294 10.5955 10.6276 11.0418 11.0971 11.1651 11.1768 12.8993 12.9092 13.1769 13.1910 14.1026 14.1325 14.4390 14.4618 k = 0.1552 0.0896 0.2534 ( 1891 PWs) bands (ev): -52.4446 -52.4446 -26.8367 -26.8366 -26.0092 -26.0090 -26.0066 -26.0065 1.0238 1.0246 7.8573 7.8673 8.6404 8.6520 9.0060 9.0212 10.2869 10.3064 10.5106 10.5348 10.5794 10.6075 11.0346 11.0882 11.1692 11.1804 12.9188 12.9297 13.1741 13.1882 14.1254 14.1522 14.4987 14.5243 k = 0.1487 0.0859 0.2428 ( 1895 PWs) bands (ev): -52.4446 -52.4446 -26.8366 -26.8365 -26.0090 -26.0089 -26.0065 -26.0065 0.9706 0.9713 7.9399 7.9477 8.6634 8.6747 9.0444 9.0582 10.2817 10.3058 10.5147 10.5431 10.5677 10.5869 11.0297 11.0817 11.1732 11.1839 12.9375 12.9492 13.1713 13.1855 14.1479 14.1717 14.5570 14.5854 k = 0.1422 0.0821 0.2323 ( 1899 PWs) bands (ev): -52.4447 -52.4447 -26.8366 -26.8364 -26.0088 -26.0087 -26.0065 -26.0065 0.9190 0.9196 8.0223 8.0281 8.6876 8.6985 9.0790 9.0916 10.2757 10.3037 10.5096 10.5524 10.5676 10.5684 11.0272 11.0775 11.1772 11.1872 12.9554 12.9677 13.1686 13.1827 14.1705 14.1914 14.6137 14.6447 k = 0.1358 0.0784 0.2217 ( 1891 PWs) bands (ev): -52.4447 -52.4447 -26.8365 -26.8364 -26.0087 -26.0085 -26.0065 -26.0065 0.8689 0.8694 8.1043 8.1081 8.7130 8.7237 9.1097 9.1212 10.2687 10.2998 10.4944 10.5391 10.5764 10.5805 11.0270 11.0758 11.1810 11.1905 12.9725 12.9853 13.1661 13.1801 14.1937 14.2117 14.6683 14.7019 k = 0.1293 0.0747 0.2112 ( 1891 PWs) bands (ev): -52.4447 -52.4447 -26.8364 -26.8363 -26.0085 -26.0084 -26.0065 -26.0064 0.8206 0.8210 8.1853 8.1871 8.7396 8.7500 9.1365 9.1470 10.2604 10.2936 10.4741 10.5160 10.5980 10.6011 11.0291 11.0763 11.1847 11.1936 12.9888 13.0019 13.1637 13.1775 14.2178 14.2329 14.7203 14.7564 k = 0.1228 0.0709 0.2006 ( 1895 PWs) bands (ev): -52.4447 -52.4447 -26.8363 -26.8362 -26.0083 -26.0082 -26.0064 -26.0064 0.7740 0.7744 8.2647 8.2648 8.7675 8.7777 9.1595 9.1692 10.2508 10.2853 10.4516 10.4915 10.6248 10.6269 11.0333 11.0789 11.1883 11.1965 13.0043 13.0175 13.1614 13.1751 14.2432 14.2554 14.7695 14.8077 k = 0.1164 0.0672 0.1900 ( 1879 PWs) bands (ev): -52.4447 -52.4447 -26.8362 -26.8361 -26.0081 -26.0080 -26.0064 -26.0064 0.7294 0.7297 8.3406 8.3425 8.7966 8.8066 9.1791 9.1882 10.2401 10.2751 10.4277 10.4661 10.6562 10.6568 11.0395 11.0837 11.1917 11.1994 13.0190 13.0323 13.1594 13.1727 14.2705 14.2798 14.8154 14.8556 k = 0.1099 0.0635 0.1795 ( 1883 PWs) bands (ev): -52.4447 -52.4447 -26.8361 -26.8361 -26.0079 -26.0079 -26.0064 -26.0064 0.6867 0.6870 8.4141 8.4177 8.8268 8.8367 9.1953 9.2041 10.2282 10.2630 10.4026 10.4397 10.6902 10.6914 11.0475 11.0901 11.1950 11.2021 13.0329 13.0461 13.1574 13.1705 14.2996 14.3063 14.8577 14.8996 k = 0.1034 0.0597 0.1689 ( 1883 PWs) bands (ev): -52.4448 -52.4448 -26.8360 -26.8360 -26.0078 -26.0077 -26.0064 -26.0064 0.6462 0.6464 8.4848 8.4899 8.8582 8.8680 9.2086 9.2172 10.2153 10.2496 10.3766 10.4126 10.7264 10.7297 11.0570 11.0982 11.1982 11.2047 13.0459 13.0590 13.1556 13.1683 14.3312 14.3352 14.8962 14.9394 k = 0.0970 0.0560 0.1584 ( 1883 PWs) bands (ev): -52.4448 -52.4448 -26.8360 -26.8359 -26.0076 -26.0076 -26.0064 -26.0063 0.6077 0.6079 8.5523 8.5586 8.8908 8.9004 9.2195 9.2280 10.2017 10.2351 10.3500 10.3849 10.7649 10.7705 11.0679 11.1075 11.2012 11.2071 13.0582 13.0710 13.1541 13.1664 14.3654 14.3668 14.9307 14.9746 k = 0.0905 0.0523 0.1478 ( 1883 PWs) bands (ev): -52.4448 -52.4448 -26.8359 -26.8359 -26.0075 -26.0074 -26.0063 -26.0063 0.5715 0.5716 8.6162 8.6234 8.9244 8.9340 9.2282 9.2369 10.1874 10.2198 10.3229 10.3566 10.8052 10.8130 11.0798 11.1179 11.2041 11.2095 13.0697 13.0821 13.1527 13.1645 14.4015 14.4025 14.9611 15.0053 k = 0.0841 0.0485 0.1373 ( 1879 PWs) bands (ev): -52.4448 -52.4448 -26.8358 -26.8358 -26.0073 -26.0073 -26.0063 -26.0063 0.5375 0.5376 8.6759 8.6837 8.9589 8.9686 9.2353 9.2443 10.1729 10.2040 10.2955 10.3280 10.8466 10.8565 11.0925 11.1290 11.2069 11.2117 13.0806 13.0924 13.1515 13.1628 14.4391 14.4424 14.9875 15.0313 k = 0.0776 0.0448 0.1267 ( 1871 PWs) bands (ev): -52.4448 -52.4448 -26.8358 -26.8357 -26.0072 -26.0071 -26.0063 -26.0063 0.5058 0.5059 8.7313 8.7393 8.9941 9.0040 9.2411 9.2504 10.1582 10.1880 10.2680 10.2992 10.8885 10.9004 11.1057 11.1405 11.2096 11.2138 13.0905 13.1017 13.1505 13.1612 14.4799 14.4853 15.0102 15.0529 k = 0.0711 0.0411 0.1161 ( 1867 PWs) bands (ev): -52.4448 -52.4448 -26.8357 -26.8357 -26.0070 -26.0070 -26.0063 -26.0063 0.4765 0.4766 8.7819 8.7897 9.0298 9.0400 9.2460 9.2558 10.1435 10.1718 10.2405 10.2704 10.9304 10.9439 11.1192 11.1521 11.2122 11.2158 13.0996 13.1102 13.1497 13.1598 14.5236 14.5307 15.0299 15.0706 k = 0.0647 0.0373 0.1056 ( 1873 PWs) bands (ev): -52.4448 -52.4448 -26.8356 -26.8356 -26.0069 -26.0069 -26.0063 -26.0063 0.4496 0.4497 8.8277 8.8349 9.0655 9.0759 9.2504 9.2606 10.1290 10.1557 10.2134 10.2417 10.9715 10.9862 11.1326 11.1636 11.2146 11.2177 13.1079 13.1178 13.1491 13.1584 14.5697 14.5782 15.0474 15.0852 k = 0.0582 0.0336 0.0950 ( 1873 PWs) bands (ev): -52.4448 -52.4448 -26.8356 -26.8356 -26.0068 -26.0068 -26.0063 -26.0063 0.4252 0.4252 8.8686 8.8749 9.1006 9.1113 9.2545 9.2651 10.1150 10.1400 10.1869 10.2136 11.0114 11.0268 11.1457 11.1745 11.2170 11.2195 13.1155 13.1245 13.1486 13.1572 14.6175 14.6268 15.0640 15.0982 k = 0.0517 0.0299 0.0845 ( 1875 PWs) bands (ev): -52.4448 -52.4448 -26.8355 -26.8355 -26.0067 -26.0067 -26.0063 -26.0063 0.4032 0.4032 8.9047 8.9099 9.1347 9.1453 9.2586 9.2695 10.1018 10.1248 10.1615 10.1863 11.0493 11.0649 11.1584 11.1848 11.2192 11.2213 13.1222 13.1304 13.1483 13.1561 14.6656 14.6751 15.0817 15.1114 k = 0.0453 0.0261 0.0739 ( 1875 PWs) bands (ev): -52.4449 -52.4449 -26.8355 -26.8355 -26.0066 -26.0066 -26.0063 -26.0063 0.3837 0.3838 8.9360 8.9400 9.1669 9.1774 9.2630 9.2741 10.0895 10.1104 10.1376 10.1603 11.0845 11.0999 11.1704 11.1942 11.2214 11.2231 13.1282 13.1355 13.1481 13.1550 14.7122 14.7211 15.1029 15.1273 k = 0.0388 0.0224 0.0633 ( 1875 PWs) bands (ev): -52.4449 -52.4449 -26.8355 -26.8355 -26.0065 -26.0065 -26.0063 -26.0063 0.3668 0.3668 8.9625 8.9653 9.1967 9.2067 9.2678 9.2786 10.0784 10.0970 10.1155 10.1358 11.1165 11.1308 11.1817 11.2024 11.2236 11.2250 13.1335 13.1398 13.1481 13.1541 14.7549 14.7622 15.1300 15.1488 k = 0.0323 0.0187 0.0528 ( 1875 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0065 -26.0065 -26.0063 -26.0063 0.3525 0.3525 8.9845 8.9863 9.2234 9.2326 9.2728 9.2830 10.0687 10.0848 10.0959 10.1135 11.1444 11.1567 11.1925 11.2095 11.2257 11.2270 13.1379 13.1433 13.1482 13.1532 14.7910 14.7962 15.1650 15.1779 k = 0.0259 0.0149 0.0422 ( 1875 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0064 -26.0064 -26.0063 -26.0063 0.3407 0.3407 9.0019 9.0029 9.2464 9.2544 9.2781 9.2871 10.0607 10.0740 10.0792 10.0938 11.1673 11.1764 11.2036 11.2157 11.2278 11.2291 13.1417 13.1460 13.1483 13.1524 14.8189 14.8219 15.2077 15.2153 k = 0.0194 0.0112 0.0317 ( 1879 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0064 -26.0064 -26.0063 -26.0063 0.3315 0.3316 9.0151 9.0156 9.2653 9.2717 9.2831 9.2904 10.0546 10.0649 10.0660 10.0772 11.1843 11.1891 11.2150 11.2215 11.2298 11.2311 13.1447 13.1479 13.1486 13.1517 14.8384 14.8397 15.2549 15.2585 k = 0.0129 0.0075 0.0211 ( 1881 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0063 -26.0063 -26.0063 -26.0063 0.3250 0.3250 9.0243 9.0244 9.2795 9.2840 9.2875 9.2927 10.0507 10.0566 10.0577 10.0643 11.1950 11.1965 11.2250 11.2272 11.2316 11.2327 13.1470 13.1491 13.1492 13.1512 14.8506 14.8510 15.3003 15.3014 k = 0.0065 0.0037 0.0106 ( 1889 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0063 -26.0063 -26.0063 -26.0063 0.3211 0.3211 9.0296 9.0297 9.2887 9.2910 9.2910 9.2936 10.0491 10.0515 10.0527 10.0553 11.2001 11.2003 11.2315 11.2319 11.2330 11.2336 13.1487 13.1494 13.1498 13.1505 14.8571 14.8572 15.3345 15.3346 k = 0.0000 0.0000 0.0000 ( 1893 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0063 -26.0063 -26.0063 -26.0063 0.3197 0.3197 9.0314 9.0314 9.2928 9.2928 9.2928 9.2928 10.0504 10.0504 10.0504 10.0504 11.2016 11.2016 11.2337 11.2337 11.2337 11.2337 13.1497 13.1497 13.1497 13.1497 14.8592 14.8592 15.3474 15.3474 k = 0.0000 0.0000 0.0000 ( 1893 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0063 -26.0063 -26.0063 -26.0063 0.3197 0.3197 9.0314 9.0314 9.2928 9.2928 9.2928 9.2928 10.0504 10.0504 10.0504 10.0504 11.2016 11.2016 11.2337 11.2337 11.2337 11.2337 13.1497 13.1497 13.1497 13.1497 14.8592 14.8592 15.3474 15.3474 k = 0.0106 0.0061 0.0043 ( 1892 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0063 -26.0063 -26.0063 -26.0063 0.3211 0.3211 9.0296 9.0296 9.2891 9.2909 9.2909 9.2932 10.0492 10.0521 10.0521 10.0553 11.2002 11.2002 11.2316 11.2316 11.2330 11.2337 13.1487 13.1496 13.1496 13.1504 14.8571 14.8571 15.3341 15.3342 k = 0.0213 0.0123 0.0087 ( 1880 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0063 -26.0063 -26.0063 -26.0063 0.3251 0.3251 9.0243 9.0243 9.2824 9.2851 9.2851 9.2905 10.0517 10.0572 10.0572 10.0638 11.1954 11.1954 11.2260 11.2260 11.2317 11.2332 13.1474 13.1492 13.1492 13.1509 14.8506 14.8506 15.2993 15.2993 k = 0.0319 0.0184 0.0130 ( 1883 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0064 -26.0064 -26.0063 -26.0063 0.3317 0.3317 9.0155 9.0155 9.2727 9.2754 9.2754 9.2846 10.0577 10.0654 10.0654 10.0756 11.1851 11.1851 11.2190 11.2190 11.2298 11.2320 13.1455 13.1482 13.1482 13.1507 14.8381 14.8381 15.2545 15.2545 k = 0.0426 0.0246 0.0174 ( 1877 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0064 -26.0064 -26.0063 -26.0063 0.3410 0.3410 9.0032 9.0032 9.2605 9.2620 9.2620 9.2757 10.0672 10.0766 10.0766 10.0904 11.1677 11.1677 11.2128 11.2128 11.2272 11.2302 13.1434 13.1472 13.1472 13.1503 14.8179 14.8179 15.2102 15.2102 k = 0.0532 0.0307 0.0217 ( 1877 PWs) bands (ev): -52.4449 -52.4449 -26.8354 -26.8354 -26.0065 -26.0065 -26.0063 -26.0063 0.3530 0.3530 8.9874 8.9874 9.2449 9.2449 9.2458 9.2640 10.0796 10.0906 10.0906 10.1078 11.1433 11.1433 11.2075 11.2075 11.2241 11.2280 13.1411 13.1458 13.1458 13.1496 14.7880 14.7880 15.1736 15.1736 k = 0.0638 0.0369 0.0261 ( 1877 PWs) bands (ev): -52.4449 -52.4449 -26.8355 -26.8355 -26.0065 -26.0065 -26.0063 -26.0063 0.3676 0.3676 8.9681 8.9681 9.2241 9.2241 9.2292 9.2499 10.0948 10.1070 10.1070 10.1276 11.1132 11.1132 11.2027 11.2027 11.2205 11.2253 13.1384 13.1442 13.1442 13.1486 14.7484 14.7484 15.1482 15.1482 k = 0.0745 0.0430 0.0304 ( 1877 PWs) bands (ev): -52.4449 -52.4449 -26.8355 -26.8355 -26.0066 -26.0066 -26.0063 -26.0063 0.3847 0.3847 8.9453 8.9453 9.2000 9.2000 9.2109 9.2337 10.1124 10.1256 10.1256 10.1494 11.0784 11.0784 11.1978 11.1978 11.2166 11.2222 13.1355 13.1423 13.1423 13.1472 14.7007 14.7007 15.1339 15.1339 k = 0.0851 0.0491 0.0347 ( 1874 PWs) bands (ev): -52.4448 -52.4448 -26.8355 -26.8355 -26.0067 -26.0067 -26.0063 -26.0063 0.4045 0.4045 8.9186 8.9186 9.1728 9.1728 9.1913 9.2158 10.1320 10.1461 10.1461 10.1727 11.0398 11.0398 11.1929 11.1929 11.2123 11.2190 13.1323 13.1401 13.1401 13.1455 14.6478 14.6478 15.1291 15.1291 k = 0.0957 0.0553 0.0391 ( 1874 PWs) bands (ev): -52.4448 -52.4448 -26.8356 -26.8356 -26.0068 -26.0068 -26.0063 -26.0063 0.4268 0.4268 8.8878 8.8878 9.1430 9.1430 9.1705 9.1964 10.1531 10.1680 10.1680 10.1973 10.9983 10.9983 11.1880 11.1880 11.2079 11.2157 13.1289 13.1376 13.1376 13.1435 14.5923 14.5923 15.1314 15.1314 k = 0.1064 0.0614 0.0434 ( 1874 PWs) bands (ev): -52.4448 -52.4448 -26.8356 -26.8356 -26.0070 -26.0070 -26.0063 -26.0063 0.4517 0.4517 8.8524 8.8524 9.1110 9.1110 9.1489 9.1758 10.1755 10.1911 10.1911 10.2229 10.9548 10.9548 11.1831 11.1831 11.2035 11.2124 13.1252 13.1349 13.1349 13.1412 14.5363 14.5363 15.1390 15.1390 k = 0.1170 0.0676 0.0478 ( 1880 PWs) bands (ev): -52.4448 -52.4448 -26.8357 -26.8357 -26.0071 -26.0071 -26.0063 -26.0063 0.4790 0.4790 8.8118 8.8118 9.0775 9.0775 9.1266 9.1543 10.1988 10.2150 10.2150 10.2490 10.9099 10.9099 11.1784 11.1784 11.1992 11.2092 13.1213 13.1319 13.1319 13.1386 14.4809 14.4809 15.1505 15.1505 k = 0.1277 0.0737 0.0521 ( 1880 PWs) bands (ev): -52.4448 -52.4448 -26.8357 -26.8357 -26.0072 -26.0072 -26.0062 -26.0062 0.5088 0.5088 8.7654 8.7654 9.0433 9.0433 9.1038 9.1320 10.2226 10.2395 10.2395 10.2754 10.8646 10.8646 11.1740 11.1740 11.1952 11.2065 13.1172 13.1286 13.1286 13.1357 14.4269 14.4270 15.1650 15.1650 k = 0.1383 0.0798 0.0565 ( 1874 PWs) bands (ev): -52.4448 -52.4448 -26.8358 -26.8358 -26.0074 -26.0074 -26.0062 -26.0062 0.5410 0.5410 8.7126 8.7126 9.0092 9.0092 9.0808 9.1093 10.2467 10.2642 10.2642 10.3019 10.8197 10.8197 11.1703 11.1703 11.1918 11.2044 13.1129 13.1252 13.1252 13.1325 14.3748 14.3748 15.1817 15.1817 k = 0.1489 0.0860 0.0608 ( 1877 PWs) bands (ev): -52.4448 -52.4448 -26.8359 -26.8359 -26.0075 -26.0075 -26.0062 -26.0062 0.5755 0.5755 8.6529 8.6529 8.9755 8.9755 9.0576 9.0862 10.2706 10.2887 10.2887 10.3279 10.7758 10.7758 11.1673 11.1673 11.1891 11.2030 13.1084 13.1215 13.1215 13.1290 14.3244 14.3244 15.2002 15.2002 k = 0.1596 0.0921 0.0651 ( 1877 PWs) bands (ev): -52.4448 -52.4448 -26.8359 -26.8359 -26.0077 -26.0077 -26.0062 -26.0062 0.6124 0.6124 8.5863 8.5863 8.9429 8.9429 9.0343 9.0630 10.2941 10.3127 10.3127 10.3533 10.7334 10.7334 11.1654 11.1654 11.1875 11.2025 13.1037 13.1175 13.1175 13.1253 14.2758 14.2758 15.2200 15.2200 k = 0.1702 0.0983 0.0695 ( 1877 PWs) bands (ev): -52.4447 -52.4447 -26.8360 -26.8360 -26.0079 -26.0079 -26.0062 -26.0062 0.6515 0.6515 8.5129 8.5129 8.9114 8.9114 9.0111 9.0396 10.3169 10.3359 10.3359 10.3778 10.6932 10.6932 11.1648 11.1648 11.1871 11.2033 13.0989 13.1133 13.1133 13.1214 14.2287 14.2287 15.2408 15.2408 k = 0.1809 0.1044 0.0738 ( 1877 PWs) bands (ev): -52.4447 -52.4447 -26.8361 -26.8361 -26.0081 -26.0081 -26.0062 -26.0062 0.6928 0.6928 8.4330 8.4330 8.8812 8.8812 8.9881 9.0163 10.3388 10.3580 10.3580 10.4010 10.6555 10.6555 11.1657 11.1657 11.1883 11.2055 13.0939 13.1089 13.1089 13.1171 14.1830 14.1830 15.2623 15.2623 k = 0.1915 0.1106 0.0782 ( 1883 PWs) bands (ev): -52.4447 -52.4447 -26.8361 -26.8361 -26.0083 -26.0083 -26.0062 -26.0062 0.7362 0.7362 8.3471 8.3471 8.8520 8.8520 8.9654 8.9932 10.3595 10.3785 10.3785 10.4226 10.6207 10.6207 11.1685 11.1685 11.1912 11.2093 13.0887 13.1042 13.1042 13.1127 14.1382 14.1382 15.2842 15.2842 k = 0.2021 0.1167 0.0825 ( 1889 PWs) bands (ev): -52.4447 -52.4447 -26.8362 -26.8362 -26.0084 -26.0084 -26.0062 -26.0062 0.7816 0.7816 8.2558 8.2558 8.8240 8.8240 8.9429 8.9703 10.3785 10.3970 10.3970 10.4423 10.5891 10.5891 11.1734 11.1734 11.1962 11.2150 13.0833 13.0992 13.0992 13.1080 14.0944 14.0944 15.3064 15.3064 k = 0.2128 0.1228 0.0869 ( 1895 PWs) bands (ev): -52.4447 -52.4447 -26.8363 -26.8363 -26.0086 -26.0086 -26.0062 -26.0062 0.8289 0.8289 8.1596 8.1596 8.7971 8.7971 8.9209 8.9477 10.3960 10.4132 10.4132 10.4600 10.5607 10.5607 11.1805 11.1805 11.2035 11.2226 13.0778 13.0940 13.0940 13.1030 14.0510 14.0510 15.3287 15.3287 k = 0.2234 0.1290 0.0912 ( 1889 PWs) bands (ev): -52.4447 -52.4447 -26.8364 -26.8364 -26.0088 -26.0088 -26.0062 -26.0062 0.8781 0.8781 8.0594 8.0594 8.7712 8.7712 8.8993 8.9255 10.4117 10.4266 10.4266 10.4754 10.5363 10.5363 11.1902 11.1902 11.2133 11.2325 13.0722 13.0885 13.0885 13.0978 14.0080 14.0080 15.3508 15.3508 k = 0.2340 0.1351 0.0955 ( 1889 PWs) bands (ev): -52.4447 -52.4447 -26.8365 -26.8365 -26.0090 -26.0090 -26.0061 -26.0061 0.9290 0.9290 7.9555 7.9555 8.7461 8.7461 8.8782 8.9038 10.4254 10.4363 10.4363 10.4885 10.5163 10.5163 11.2023 11.2023 11.2255 11.2445 13.0663 13.0828 13.0828 13.0923 13.9649 13.9649 15.3726 15.3726 k = 0.2447 0.1413 0.0999 ( 1886 PWs) bands (ev): -52.4446 -52.4446 -26.8365 -26.8365 -26.0092 -26.0092 -26.0061 -26.0061 0.9816 0.9816 7.8488 7.8488 8.7220 8.7220 8.8577 8.8826 10.4371 10.4409 10.4409 10.4991 10.5021 10.5021 11.2171 11.2171 11.2403 11.2587 13.0604 13.0769 13.0769 13.0866 13.9217 13.9217 15.3939 15.3939 k = 0.2553 0.1474 0.1042 ( 1886 PWs) bands (ev): -52.4446 -52.4446 -26.8366 -26.8366 -26.0094 -26.0094 -26.0061 -26.0061 1.0356 1.0356 7.7399 7.7399 8.6988 8.6988 8.8378 8.8619 10.4393 10.4393 10.4467 10.4946 10.4946 10.5073 11.2344 11.2344 11.2576 11.2752 13.0543 13.0706 13.0706 13.0807 13.8782 13.8782 15.4146 15.4146 k = 0.2660 0.1536 0.1086 ( 1880 PWs) bands (ev): -52.4446 -52.4446 -26.8367 -26.8367 -26.0096 -26.0096 -26.0061 -26.0061 1.0909 1.0909 7.6292 7.6292 8.6765 8.6765 8.8186 8.8419 10.4328 10.4328 10.4545 10.4925 10.4925 10.5132 11.2542 11.2542 11.2773 11.2938 13.0480 13.0641 13.0641 13.0746 13.8342 13.8342 15.4347 15.4347 k = 0.2766 0.1597 0.1129 ( 1880 PWs) bands (ev): -52.4446 -52.4446 -26.8368 -26.8368 -26.0098 -26.0098 -26.0061 -26.0061 1.1474 1.1474 7.5175 7.5175 8.6551 8.6551 8.8000 8.8225 10.4246 10.4246 10.4604 10.4926 10.4926 10.5169 11.2762 11.2762 11.2992 11.3143 13.0416 13.0573 13.0573 13.0681 13.7898 13.7898 15.4539 15.4539 k = 0.2872 0.1658 0.1173 ( 1877 PWs) bands (ev): -52.4446 -52.4446 -26.8369 -26.8369 -26.0100 -26.0100 -26.0061 -26.0061 1.2049 1.2049 7.4054 7.4054 8.6345 8.6345 8.7822 8.8037 10.4168 10.4168 10.4645 10.4929 10.4929 10.5186 11.3001 11.3001 11.3229 11.3366 13.0350 13.0502 13.0502 13.0615 13.7449 13.7449 15.4721 15.4721 k = 0.2979 0.1720 0.1216 ( 1877 PWs) bands (ev): -52.4445 -52.4445 -26.8369 -26.8369 -26.0102 -26.0102 -26.0061 -26.0061 1.2631 1.2631 7.2933 7.2933 8.6148 8.6148 8.7650 8.7857 10.4100 10.4100 10.4671 10.4927 10.4927 10.5186 11.3258 11.3258 11.3483 11.3604 13.0283 13.0428 13.0428 13.0546 13.6996 13.6996 15.4894 15.4894 k = 0.3085 0.1781 0.1259 ( 1892 PWs) bands (ev): -52.4445 -52.4445 -26.8370 -26.8370 -26.0104 -26.0104 -26.0061 -26.0061 1.3220 1.3220 7.1818 7.1818 8.5960 8.5960 8.7486 8.7683 10.4046 10.4046 10.4682 10.4916 10.4916 10.5170 11.3528 11.3528 11.3749 11.3854 13.0215 13.0352 13.0352 13.0475 13.6539 13.6539 15.5055 15.5055 k = 0.3191 0.1843 0.1303 ( 1886 PWs) bands (ev): -52.4445 -52.4445 -26.8371 -26.8371 -26.0106 -26.0106 -26.0061 -26.0061 1.3812 1.3812 7.0716 7.0716 8.5782 8.5782 8.7331 8.7518 10.4007 10.4007 10.4683 10.4898 10.4898 10.5143 11.3810 11.3810 11.4026 11.4115 13.0146 13.0274 13.0274 13.0403 13.6080 13.6080 15.5206 15.5206 k = 0.3298 0.1904 0.1346 ( 1886 PWs) bands (ev): -52.4445 -52.4445 -26.8372 -26.8372 -26.0108 -26.0108 -26.0061 -26.0061 1.4404 1.4404 6.9630 6.9630 8.5613 8.5613 8.7183 8.7361 10.3982 10.3982 10.4674 10.4874 10.4874 10.5105 11.4099 11.4099 11.4309 11.4383 13.0076 13.0194 13.0194 13.0328 13.5622 13.5622 15.5344 15.5344 k = 0.3404 0.1965 0.1390 ( 1886 PWs) bands (ev): -52.4445 -52.4445 -26.8372 -26.8372 -26.0110 -26.0110 -26.0060 -26.0060 1.4994 1.4994 6.8566 6.8566 8.5453 8.5453 8.7044 8.7212 10.3969 10.3969 10.4657 10.4846 10.4846 10.5060 11.4392 11.4392 11.4596 11.4655 13.0006 13.0111 13.0111 13.0251 13.5166 13.5166 15.5471 15.5471 k = 0.3511 0.2027 0.1433 ( 1880 PWs) bands (ev): -52.4445 -52.4445 -26.8373 -26.8373 -26.0111 -26.0111 -26.0060 -26.0060 1.5579 1.5579 6.7531 6.7531 8.5303 8.5303 8.6914 8.7071 10.3966 10.3966 10.4635 10.4817 10.4817 10.5009 11.4687 11.4687 11.4883 11.4929 12.9936 13.0028 13.0028 13.0174 13.4717 13.4717 15.5585 15.5585 k = 0.3617 0.2088 0.1477 ( 1880 PWs) bands (ev): -52.4445 -52.4445 -26.8374 -26.8374 -26.0113 -26.0113 -26.0060 -26.0060 1.6154 1.6154 6.6529 6.6529 8.5162 8.5162 8.6792 8.6939 10.3971 10.3971 10.4608 10.4786 10.4786 10.4953 11.4980 11.4980 11.5167 11.5200 12.9866 12.9944 12.9944 13.0096 13.4276 13.4276 15.5687 15.5687 k = 0.3723 0.2150 0.1520 ( 1874 PWs) bands (ev): -52.4444 -52.4444 -26.8374 -26.8374 -26.0114 -26.0114 -26.0060 -26.0060 1.6716 1.6716 6.5565 6.5565 8.5032 8.5032 8.6680 8.6816 10.3982 10.3982 10.4579 10.4759 10.4759 10.4896 11.5267 11.5267 11.5445 11.5468 12.9797 12.9859 12.9859 13.0017 13.3847 13.3847 15.5777 15.5777 k = 0.3830 0.2211 0.1564 ( 1874 PWs) bands (ev): -52.4444 -52.4444 -26.8375 -26.8375 -26.0116 -26.0116 -26.0060 -26.0060 1.7261 1.7261 6.4646 6.4646 8.4911 8.4911 8.6576 8.6701 10.3995 10.3995 10.4548 10.4735 10.4735 10.4837 11.5547 11.5547 11.5714 11.5727 12.9730 12.9775 12.9775 12.9939 13.3434 13.3434 15.5855 15.5855 k = 0.3936 0.2273 0.1607 ( 1877 PWs) bands (ev): -52.4444 -52.4444 -26.8375 -26.8375 -26.0117 -26.0117 -26.0060 -26.0060 1.7784 1.7784 6.3778 6.3778 8.4801 8.4801 8.6481 8.6595 10.4007 10.4007 10.4517 10.4718 10.4718 10.4779 11.5815 11.5815 11.5971 11.5977 12.9665 12.9692 12.9692 12.9861 13.3041 13.3041 15.5920 15.5920 k = 0.4043 0.2334 0.1650 ( 1877 PWs) bands (ev): -52.4444 -52.4444 -26.8376 -26.8376 -26.0118 -26.0118 -26.0060 -26.0060 1.8280 1.8280 6.2967 6.2967 8.4701 8.4701 8.6396 8.6499 10.4018 10.4018 10.4487 10.4707 10.4707 10.4721 11.6069 11.6069 11.6213 11.6214 12.9603 12.9612 12.9612 12.9786 13.2671 13.2671 15.5974 15.5974 k = 0.4149 0.2395 0.1694 ( 1877 PWs) bands (ev): -52.4444 -52.4444 -26.8376 -26.8376 -26.0119 -26.0119 -26.0060 -26.0060 1.8744 1.8744 6.2218 6.2218 8.4610 8.4610 8.6320 8.6412 10.4026 10.4026 10.4459 10.4666 10.4706 10.4706 11.6306 11.6306 11.6433 11.6439 12.9535 12.9535 12.9546 12.9713 13.2329 13.2329 15.6016 15.6016 k = 0.4255 0.2457 0.1737 ( 1877 PWs) bands (ev): -52.4444 -52.4444 -26.8377 -26.8377 -26.0120 -26.0120 -26.0060 -26.0060 1.9171 1.9171 6.1538 6.1538 8.4531 8.4531 8.6253 8.6334 10.4029 10.4029 10.4434 10.4615 10.4711 10.4711 11.6523 11.6523 11.6636 11.6645 12.9463 12.9463 12.9494 12.9644 13.2017 13.2017 15.6045 15.6045 k = 0.4362 0.2518 0.1781 ( 1877 PWs) bands (ev): -52.4444 -52.4444 -26.8377 -26.8377 -26.0121 -26.0121 -26.0060 -26.0060 1.9555 1.9555 6.0933 6.0933 8.4461 8.4461 8.6196 8.6265 10.4028 10.4028 10.4412 10.4567 10.4722 10.4722 11.6718 11.6718 11.6817 11.6828 12.9397 12.9397 12.9447 12.9579 13.1739 13.1739 15.6061 15.6061 k = 0.4468 0.2580 0.1824 ( 1877 PWs) bands (ev): -52.4444 -52.4444 -26.8377 -26.8377 -26.0122 -26.0122 -26.0060 -26.0060 1.9890 1.9890 6.0410 6.0410 8.4403 8.4403 8.6148 8.6206 10.4024 10.4024 10.4395 10.4523 10.4737 10.4737 11.6887 11.6887 11.6976 11.6987 12.9338 12.9338 12.9408 12.9521 13.1498 13.1498 15.6065 15.6065 k = 0.4574 0.2641 0.1868 ( 1877 PWs) bands (ev): -52.4444 -52.4444 -26.8377 -26.8377 -26.0123 -26.0123 -26.0060 -26.0060 2.0173 2.0173 5.9972 5.9972 8.4355 8.4355 8.6111 8.6157 10.4019 10.4019 10.4383 10.4485 10.4754 10.4754 11.7030 11.7030 11.7109 11.7120 12.9288 12.9288 12.9377 12.9469 13.1298 13.1298 15.6057 15.6057 k = 0.4681 0.2702 0.1911 ( 1877 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0123 -26.0123 -26.0060 -26.0060 2.0399 2.0399 5.9627 5.9627 8.4317 8.4317 8.6082 8.6117 10.4013 10.4013 10.4375 10.4452 10.4770 10.4770 11.7142 11.7142 11.7215 11.7224 12.9247 12.9247 12.9355 12.9425 13.1139 13.1139 15.6040 15.6041 k = 0.4787 0.2764 0.1954 ( 1877 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0123 -26.0123 -26.0060 -26.0060 2.0563 2.0563 5.9376 5.9376 8.4290 8.4290 8.6064 8.6087 10.4008 10.4008 10.4373 10.4424 10.4782 10.4782 11.7224 11.7224 11.7293 11.7299 12.9218 12.9218 12.9342 12.9389 13.1024 13.1024 15.6022 15.6022 k = 0.4894 0.2825 0.1998 ( 1892 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0124 -26.0060 -26.0060 2.0662 2.0662 5.9225 5.9225 8.4274 8.4274 8.6055 8.6067 10.4004 10.4004 10.4375 10.4401 10.4789 10.4789 11.7273 11.7273 11.7340 11.7344 12.9199 12.9199 12.9338 12.9362 13.0954 13.0954 15.6009 15.6009 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0124 -26.0060 -26.0060 2.0695 2.0695 5.9174 5.9174 8.4269 8.4269 8.6056 8.6056 10.4002 10.4002 10.4385 10.4385 10.4792 10.4792 11.7290 11.7290 11.7357 11.7357 12.9193 12.9193 12.9345 12.9345 13.0931 13.0931 15.6004 15.6004 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0124 -26.0060 -26.0060 2.0695 2.0695 5.9174 5.9174 8.4269 8.4269 8.6056 8.6056 10.4002 10.4002 10.4385 10.4385 10.4792 10.4792 11.7290 11.7290 11.7357 11.7357 12.9193 12.9193 12.9345 12.9345 13.0931 13.0931 15.6004 15.6004 k = 0.5037 0.2781 0.2101 ( 1892 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0123 -26.0060 -26.0060 2.0699 2.0703 5.9181 5.9196 8.4253 8.4271 8.6050 8.6050 10.4003 10.4007 10.4389 10.4389 10.4786 10.4796 11.7264 11.7289 11.7347 11.7347 12.9180 12.9194 12.9340 12.9341 13.0932 13.0935 15.5437 15.5864 k = 0.5074 0.2674 0.2161 ( 1888 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0123 -26.0060 -26.0060 2.0713 2.0720 5.9215 5.9246 8.4224 8.4260 8.6033 8.6033 10.4008 10.4018 10.4402 10.4403 10.4780 10.4799 11.7213 11.7264 11.7316 11.7317 12.9150 12.9181 12.9328 12.9333 13.0937 13.0943 15.4765 15.5122 k = 0.5110 0.2568 0.2221 ( 1883 PWs) bands (ev): -52.4444 -52.4444 -26.8379 -26.8378 -26.0124 -26.0123 -26.0060 -26.0060 2.0737 2.0748 5.9277 5.9323 8.4178 8.4234 8.6007 8.6008 10.4018 10.4033 10.4424 10.4425 10.4773 10.4801 11.7135 11.7213 11.7263 11.7266 12.9096 12.9146 12.9319 12.9331 13.0946 13.0954 15.4014 15.4298 k = 0.5147 0.2462 0.2281 ( 1881 PWs) bands (ev): -52.4443 -52.4443 -26.8379 -26.8378 -26.0124 -26.0123 -26.0061 -26.0061 2.0772 2.0787 5.9367 5.9429 8.4112 8.4188 8.5975 8.5978 10.4030 10.4052 10.4452 10.4456 10.4766 10.4802 11.7031 11.7139 11.7188 11.7195 12.9014 12.9084 12.9322 12.9337 13.0957 13.0969 15.3200 15.3413 k = 0.5184 0.2356 0.2341 ( 1881 PWs) bands (ev): -52.4443 -52.4443 -26.8379 -26.8378 -26.0124 -26.0123 -26.0061 -26.0061 2.0817 2.0835 5.9484 5.9562 8.4022 8.4117 8.5944 8.5949 10.4044 10.4073 10.4487 10.4496 10.4761 10.4805 11.6901 11.7044 11.7089 11.7104 12.8911 12.8997 12.9335 12.9352 13.0970 13.0984 15.2334 15.2479 k = 0.5221 0.2250 0.2401 ( 1881 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8378 -26.0124 -26.0123 -26.0062 -26.0062 2.0871 2.0894 5.9629 5.9723 8.3902 8.4018 8.5919 8.5925 10.4058 10.4094 10.4527 10.4545 10.4763 10.4811 11.6747 11.6927 11.6968 11.6994 12.8789 12.8892 12.9355 12.9373 13.0982 13.0999 15.1426 15.1508 k = 0.5257 0.2144 0.2461 ( 1874 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8378 -26.0124 -26.0122 -26.0063 -26.0063 2.0936 2.0962 5.9801 5.9912 8.3750 8.3885 8.5905 8.5913 10.4068 10.4111 10.4571 10.4602 10.4776 10.4822 11.6569 11.6790 11.6825 11.6865 12.8652 12.8773 12.9381 12.9400 13.0995 13.1015 15.0484 15.0509 k = 0.5294 0.2038 0.2522 ( 1874 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8378 -26.0124 -26.0122 -26.0063 -26.0063 2.1010 2.1040 6.0000 6.0127 8.3561 8.3715 8.5906 8.5914 10.4071 10.4120 10.4616 10.4667 10.4804 10.4842 11.6367 11.6629 11.6665 11.6719 12.8505 12.8643 12.9412 12.9431 13.1007 13.1029 14.9492 14.9518 k = 0.5331 0.1932 0.2582 ( 1870 PWs) bands (ev): -52.4443 -52.4443 -26.8381 -26.8378 -26.0124 -26.0122 -26.0064 -26.0064 2.1093 2.1126 6.0225 6.0370 8.3335 8.3506 8.5924 8.5930 10.4064 10.4116 10.4663 10.4737 10.4852 10.4874 11.6144 11.6443 11.6491 11.6555 12.8349 12.8507 12.9447 12.9466 13.1019 13.1043 14.8465 14.8536 k = 0.5368 0.1825 0.2642 ( 1872 PWs) bands (ev): -52.4443 -52.4443 -26.8381 -26.8379 -26.0124 -26.0122 -26.0065 -26.0065 2.1184 2.1221 6.0477 6.0639 8.3072 8.3259 8.5959 8.5964 10.4045 10.4097 10.4713 10.4809 10.4919 10.4925 11.5898 11.6233 11.6305 11.6376 12.8188 12.8365 12.9486 12.9503 13.1030 13.1057 14.7437 14.7546 k = 0.5404 0.1719 0.2702 ( 1869 PWs) bands (ev): -52.4443 -52.4443 -26.8382 -26.8379 -26.0124 -26.0121 -26.0067 -26.0066 2.1284 2.1325 6.0754 6.0935 8.2774 8.2977 8.6012 8.6013 10.4012 10.4061 10.4772 10.4880 10.4998 10.5001 11.5632 11.6002 11.6105 11.6183 12.8025 12.8221 12.9528 12.9544 13.1040 13.1070 14.6413 14.6555 k = 0.5441 0.1613 0.2762 ( 1869 PWs) bands (ev): -52.4443 -52.4443 -26.8383 -26.8379 -26.0124 -26.0121 -26.0068 -26.0068 2.1392 2.1436 6.1056 6.1257 8.2443 8.2661 8.6077 8.6080 10.3964 10.4008 10.4840 10.4951 10.5091 10.5096 11.5348 11.5752 11.5893 11.5976 12.7860 12.8076 12.9572 12.9587 13.1050 13.1083 14.5402 14.5572 k = 0.5478 0.1507 0.2822 ( 1873 PWs) bands (ev): -52.4443 -52.4443 -26.8383 -26.8380 -26.0124 -26.0121 -26.0069 -26.0069 2.1507 2.1554 6.1383 6.1604 8.2081 8.2314 8.6154 8.6163 10.3901 10.3939 10.4916 10.5025 10.5201 10.5202 11.5046 11.5484 11.5670 11.5758 12.7697 12.7933 12.9619 12.9633 13.1061 13.1096 14.4408 14.4602 k = 0.5515 0.1401 0.2882 ( 1875 PWs) bands (ev): -52.4443 -52.4443 -26.8384 -26.8380 -26.0124 -26.0121 -26.0071 -26.0070 2.1628 2.1678 6.1734 6.1975 8.1691 8.1940 8.6244 8.6258 10.3823 10.3855 10.5000 10.5106 10.5319 10.5323 11.4729 11.5200 11.5436 11.5529 12.7537 12.7792 12.9669 12.9680 13.1072 13.1110 14.3438 14.3651 k = 0.5551 0.1295 0.2942 ( 1873 PWs) bands (ev): -52.4443 -52.4442 -26.8384 -26.8381 -26.0124 -26.0120 -26.0072 -26.0071 2.1755 2.1809 6.2107 6.2372 8.1276 8.1541 8.6346 8.6364 10.3731 10.3757 10.5091 10.5192 10.5444 10.5455 11.4400 11.4902 11.5194 11.5291 12.7382 12.7656 12.9721 12.9730 13.1083 13.1125 14.2496 14.2723 k = 0.5588 0.1189 0.3002 ( 1866 PWs) bands (ev): -52.4442 -52.4442 -26.8385 -26.8381 -26.0124 -26.0120 -26.0073 -26.0073 2.1887 2.1944 6.2503 6.2791 8.0838 8.1121 8.6458 8.6481 10.3625 10.3646 10.5186 10.5284 10.5579 10.5596 11.4059 11.4593 11.4946 11.5046 12.7234 12.7525 12.9775 12.9780 13.1096 13.1141 14.1586 14.1825 k = 0.5625 0.1083 0.3062 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8386 -26.8381 -26.0124 -26.0120 -26.0075 -26.0074 2.2024 2.2083 6.2919 6.3233 8.0380 8.0681 8.6579 8.6607 10.3504 10.3520 10.5284 10.5380 10.5721 10.5746 11.3709 11.4274 11.4691 11.4794 12.7093 12.7402 12.9830 12.9832 13.1109 13.1159 14.0711 14.0958 k = 0.5662 0.0976 0.3122 ( 1864 PWs) bands (ev): -52.4442 -52.4442 -26.8386 -26.8382 -26.0124 -26.0119 -26.0076 -26.0075 2.2163 2.2226 6.3355 6.3697 7.9904 8.0226 8.6708 8.6742 10.3371 10.3382 10.5385 10.5480 10.5870 10.5903 11.3352 11.3947 11.4432 11.4537 12.6963 12.7287 12.9885 12.9888 13.1124 13.1179 13.9875 14.0127 k = 0.5699 0.0870 0.3182 ( 1863 PWs) bands (ev): -52.4442 -52.4442 -26.8387 -26.8382 -26.0124 -26.0119 -26.0078 -26.0077 2.2306 2.2371 6.3809 6.4182 7.9413 7.9758 8.6846 8.6884 10.3223 10.3230 10.5488 10.5583 10.6026 10.6067 11.2991 11.3614 11.4170 11.4278 12.6843 12.7182 12.9939 12.9946 13.1139 13.1202 13.9079 13.9333 k = 0.5735 0.0764 0.3242 ( 1867 PWs) bands (ev): -52.4442 -52.4442 -26.8387 -26.8383 -26.0124 -26.0119 -26.0079 -26.0078 2.2449 2.2517 6.4280 6.4686 7.8910 7.9281 8.6991 8.7034 10.3064 10.3066 10.5592 10.5688 10.6188 10.6236 11.2625 11.3277 11.3908 11.4017 12.6736 12.7087 12.9993 13.0005 13.1155 13.1226 13.8325 13.8578 k = 0.5772 0.0658 0.3302 ( 1867 PWs) bands (ev): -52.4442 -52.4442 -26.8388 -26.8383 -26.0124 -26.0119 -26.0081 -26.0079 2.2593 2.2663 6.4764 6.5207 7.8398 7.8798 8.7142 8.7189 10.2891 10.2893 10.5697 10.5795 10.6354 10.6410 11.2259 11.2937 11.3647 11.3757 12.6643 12.7005 13.0046 13.0064 13.1172 13.1252 13.7617 13.7866 k = 0.5809 0.0552 0.3362 ( 1863 PWs) bands (ev): -52.4442 -52.4442 -26.8389 -26.8384 -26.0125 -26.0119 -26.0082 -26.0081 2.2736 2.2808 6.5259 6.5743 7.7881 7.8315 8.7299 8.7351 10.2707 10.2712 10.5801 10.5902 10.6523 10.6588 11.1893 11.2596 11.3389 11.3500 12.6564 12.6936 13.0099 13.0124 13.1189 13.1280 13.6954 13.7196 k = 0.5846 0.0446 0.3422 ( 1861 PWs) bands (ev): -52.4442 -52.4441 -26.8389 -26.8384 -26.0125 -26.0118 -26.0084 -26.0082 2.2877 2.2951 6.5762 6.6293 7.7363 7.7836 8.7462 8.7519 10.2513 10.2522 10.5904 10.6008 10.6694 10.6767 11.1529 11.2254 11.3137 11.3247 12.6502 12.6881 13.0150 13.0183 13.1204 13.1309 13.6338 13.6569 k = 0.5882 0.0340 0.3482 ( 1865 PWs) bands (ev): -52.4442 -52.4441 -26.8390 -26.8385 -26.0125 -26.0118 -26.0085 -26.0083 2.3015 2.3091 6.6267 6.6851 7.6849 7.7367 8.7630 8.7690 10.2313 10.2326 10.6006 10.6114 10.6864 10.6945 11.1166 11.1913 11.2892 11.3001 12.6457 12.6841 13.0198 13.0239 13.1218 13.1340 13.5770 13.5987 k = 0.5919 0.0233 0.3542 ( 1861 PWs) bands (ev): -52.4441 -52.4441 -26.8390 -26.8385 -26.0125 -26.0118 -26.0086 -26.0084 2.3147 2.3225 6.6769 6.7414 7.6346 7.6916 8.7803 8.7867 10.2109 10.2125 10.6105 10.6218 10.7031 10.7121 11.0807 11.1573 11.2659 11.2766 12.6430 12.6817 13.0243 13.0294 13.1228 13.1370 13.5251 13.5451 k = 0.5956 0.0127 0.3602 ( 1863 PWs) bands (ev): -52.4441 -52.4441 -26.8391 -26.8386 -26.0125 -26.0118 -26.0087 -26.0085 2.3274 2.3352 6.7260 6.7974 7.5861 7.6493 8.7980 8.8047 10.1902 10.1922 10.6202 10.6320 10.7193 10.7292 11.0452 11.1235 11.2440 11.2544 12.6422 12.6810 13.0281 13.0343 13.1233 13.1400 13.4783 13.4960 k = 0.5993 0.0021 0.3662 ( 1867 PWs) bands (ev): -52.4441 -52.4441 -26.8391 -26.8386 -26.0125 -26.0118 -26.0088 -26.0086 2.3392 2.3472 6.7728 6.8521 7.5408 7.6110 8.8160 8.8230 10.1697 10.1719 10.6296 10.6419 10.7345 10.7454 11.0100 11.0898 11.2237 11.2338 12.6434 12.6820 13.0309 13.0384 13.1230 13.1427 13.4367 13.4517 k = 0.6029-0.0085 0.3722 ( 1875 PWs) bands (ev): -52.4441 -52.4441 -26.8392 -26.8387 -26.0125 -26.0118 -26.0089 -26.0087 2.3501 2.3581 6.8158 6.9037 7.5003 7.5784 8.8343 8.8416 10.1496 10.1521 10.6385 10.6514 10.7484 10.7602 10.9752 11.0562 11.2056 11.2153 12.6464 12.6847 13.0322 13.0412 13.1217 13.1450 13.4006 13.4123 k = 0.6066-0.0191 0.3782 ( 1873 PWs) bands (ev): -52.4441 -52.4441 -26.8392 -26.8387 -26.0126 -26.0118 -26.0090 -26.0088 2.3599 2.3680 6.8534 6.9498 7.4675 7.5534 8.8529 8.8605 10.1302 10.1330 10.6470 10.6606 10.7606 10.7732 10.9409 11.0229 11.1902 11.1993 12.6515 12.6892 13.0317 13.0424 13.1192 13.1467 13.3700 13.3780 k = 0.6103-0.0297 0.3842 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0126 -26.0119 -26.0091 -26.0088 2.3684 2.3765 6.8833 6.9866 7.4462 7.5382 8.8717 8.8795 10.1118 10.1148 10.6550 10.6692 10.7705 10.7839 10.9071 10.9899 11.1777 11.1863 12.6585 12.6954 13.0282 13.0408 13.1154 13.1473 13.3451 13.3491 k = 0.6140-0.0403 0.3902 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0126 -26.0119 -26.0091 -26.0089 2.3754 2.3835 6.9038 7.0098 7.4409 7.5348 8.8907 8.8987 10.0948 10.0980 10.6623 10.6771 10.7778 10.7915 10.8742 10.9572 11.1686 11.1768 12.6673 12.7033 13.0207 13.0354 13.1103 13.1467 13.3257 13.3258 k = 0.6176-0.0509 0.3962 ( 1873 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0126 -26.0119 -26.0092 -26.0089 2.3809 2.3889 6.9137 7.0167 7.4543 7.5446 8.9098 8.9181 10.0793 10.0828 10.6688 10.6841 10.7820 10.7948 10.8431 10.9249 11.1631 11.1709 12.6778 12.7127 13.0079 13.0246 13.1043 13.1446 13.3084 13.3115 k = 0.6213-0.0616 0.4022 ( 1877 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8389 -26.0127 -26.0119 -26.0092 -26.0090 2.3845 2.3924 6.9133 7.0084 7.4857 7.5673 8.9290 8.9374 10.0657 10.0693 10.6742 10.6898 10.7831 10.7896 10.8182 10.8934 11.1614 11.1689 12.6898 12.7235 12.9885 13.0066 13.0980 13.1413 13.2966 13.3021 k = 0.6250-0.0722 0.4082 ( 1878 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3861 2.3940 6.9041 6.9890 7.5309 7.6016 8.9483 8.9568 10.0542 10.0580 10.6781 10.6929 10.7697 10.7810 10.8070 10.8630 11.1631 11.1705 12.7032 12.7355 12.9618 12.9807 13.0922 13.1372 13.2899 13.2966 k = 0.6250-0.0722 0.4082 ( 1878 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3861 2.3940 6.9041 6.9890 7.5309 7.6016 8.9483 8.9568 10.0542 10.0580 10.6781 10.6929 10.7697 10.7810 10.8070 10.8630 11.1631 11.1705 12.7032 12.7355 12.9618 12.9807 13.0922 13.1372 13.2899 13.2966 k = 0.6188-0.0686 0.4185 ( 1870 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3864 2.3942 6.9052 6.9901 7.5313 7.6020 8.9444 8.9540 10.0538 10.0597 10.6780 10.6928 10.7644 10.7850 10.8045 10.8633 11.1640 11.1753 12.7035 12.7358 12.9608 12.9797 13.0919 13.1370 13.2877 13.2951 k = 0.6125-0.0650 0.4287 ( 1866 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3872 2.3950 6.9083 6.9932 7.5326 7.6032 8.9330 8.9454 10.0536 10.0631 10.6777 10.6923 10.7551 10.7901 10.7981 10.8639 11.1685 11.1872 12.7043 12.7368 12.9577 12.9766 13.0912 13.1364 13.2810 13.2905 k = 0.6062-0.0613 0.4389 ( 1868 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3885 2.3964 6.9135 6.9984 7.5346 7.6051 8.9150 8.9307 10.0543 10.0676 10.6771 10.6913 10.7451 10.7870 10.7955 10.8636 11.1777 11.2043 12.7057 12.7384 12.9526 12.9715 13.0900 13.1353 13.2698 13.2829 k = 0.6000-0.0577 0.4491 ( 1868 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0093 -26.0090 2.3902 2.3982 6.9207 7.0057 7.5373 7.6077 8.8910 8.9099 10.0561 10.0728 10.6760 10.6896 10.7356 10.7765 10.7971 10.8619 11.1910 11.2257 12.7076 12.7407 12.9457 12.9645 13.0882 13.1337 13.2547 13.2725 k = 0.5938-0.0541 0.4593 ( 1867 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0119 -26.0093 -26.0090 2.3925 2.4005 6.9299 7.0150 7.5405 7.6110 8.8616 8.8835 10.0588 10.0786 10.6744 10.6871 10.7273 10.7656 10.7971 10.8586 11.2077 11.2504 12.7100 12.7437 12.9372 12.9558 13.0860 13.1316 13.2365 13.2590 k = 0.5875-0.0505 0.4695 ( 1871 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0119 -26.0093 -26.0091 2.3952 2.4032 6.9411 7.0264 7.5442 7.6146 8.8274 8.8519 10.0623 10.0847 10.6719 10.6838 10.7206 10.7556 10.7952 10.8536 11.2271 11.2774 12.7130 12.7472 12.9274 12.9457 13.0831 13.1289 13.2161 13.2427 k = 0.5813-0.0469 0.4797 ( 1871 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0119 -26.0093 -26.0091 2.3982 2.4063 6.9542 7.0398 7.5480 7.6185 8.7893 8.8159 10.0665 10.0908 10.6684 10.6798 10.7157 10.7470 10.7917 10.8474 11.2483 11.3062 12.7165 12.7514 12.9166 12.9344 13.0799 13.1254 13.1942 13.2240 k = 0.5750-0.0433 0.4899 ( 1875 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0119 -26.0094 -26.0091 2.4016 2.4098 6.9692 7.0552 7.5516 7.6224 8.7480 8.7762 10.0710 10.0969 10.6639 10.6758 10.7121 10.7404 10.7867 10.8400 11.2706 11.3357 12.7206 12.7562 12.9054 12.9225 13.0760 13.1210 13.1718 13.2035 k = 0.5687-0.0397 0.5001 ( 1875 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0118 -26.0094 -26.0092 2.4053 2.4136 6.9859 7.0727 7.5548 7.6260 8.7044 8.7339 10.0758 10.1028 10.6591 10.6720 10.7095 10.7358 10.7806 10.8317 11.2933 11.3654 12.7254 12.7616 12.8941 12.9105 13.0717 13.1149 13.1500 13.1816 k = 0.5625-0.0361 0.5103 ( 1869 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0118 -26.0094 -26.0092 2.4092 2.4175 7.0042 7.0921 7.5569 7.6291 8.6596 8.6898 10.0806 10.1082 10.6546 10.6685 10.7074 10.7330 10.7736 10.8227 11.3158 11.3945 12.7307 12.7677 12.8832 12.8991 13.0669 13.1047 13.1313 13.1588 k = 0.5563-0.0325 0.5205 ( 1866 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0126 -26.0118 -26.0095 -26.0093 2.4132 2.4216 7.0240 7.1135 7.5576 7.6311 8.6145 8.6451 10.0852 10.1132 10.6508 10.6657 10.7058 10.7316 10.7659 10.8132 11.3374 11.4225 12.7367 12.7743 12.8732 12.8888 13.0615 13.0879 13.1183 13.1361 k = 0.5500-0.0289 0.5307 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0125 -26.0117 -26.0095 -26.0093 2.4172 2.4258 7.0451 7.1368 7.5562 7.6318 8.5703 8.6009 10.0895 10.1174 10.6480 10.6637 10.7045 10.7311 10.7577 10.8035 11.3578 11.4487 12.7436 12.7814 12.8645 12.8802 13.0543 13.0677 13.1052 13.1171 k = 0.5437-0.0253 0.5409 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0117 -26.0095 -26.0094 2.4212 2.4299 7.0672 7.1620 7.5520 7.6305 8.5283 8.5585 10.0933 10.1210 10.6466 10.6631 10.7033 10.7313 10.7493 10.7937 11.3764 11.4728 12.7514 12.7892 12.8575 12.8739 13.0386 13.0538 13.0840 13.1076 k = 0.5375-0.0217 0.5511 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0117 -26.0096 -26.0094 2.4251 2.4338 7.0899 7.1891 7.5442 7.6271 8.4895 8.5191 10.0964 10.1239 10.6464 10.6637 10.7021 10.7319 10.7410 10.7841 11.3929 11.4943 12.7604 12.7975 12.8525 12.8701 13.0154 13.0452 13.0615 13.1011 k = 0.5312-0.0180 0.5613 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0117 -26.0096 -26.0094 2.4287 2.4375 7.1126 7.2181 7.5322 7.6212 8.4552 8.4840 10.0989 10.1261 10.6475 10.6658 10.7005 10.7307 10.7348 10.7748 11.4071 11.5128 12.7709 12.8064 12.8497 12.8688 12.9907 13.0298 13.0463 13.0953 k = 0.5250-0.0144 0.5715 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0096 -26.0095 2.4320 2.4409 7.1345 7.2488 7.5154 7.6131 8.4264 8.4542 10.1008 10.1277 10.6498 10.6691 10.6986 10.7239 10.7351 10.7662 11.4188 11.5281 12.7830 12.8159 12.8493 12.8699 12.9653 13.0065 13.0394 13.0902 k = 0.5188-0.0108 0.5818 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0096 -26.0095 2.4348 2.4437 7.1547 7.2813 7.4934 7.6034 8.4039 8.4305 10.1020 10.1287 10.6531 10.6736 10.6960 10.7167 10.7364 10.7584 11.4278 11.5400 12.7972 12.8257 12.8512 12.8732 12.9396 12.9822 13.0345 13.0857 k = 0.5125-0.0072 0.5920 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4369 2.4459 7.1716 7.3152 7.4666 7.5936 8.3879 8.4136 10.1028 10.1292 10.6569 10.6787 10.6928 10.7104 10.7379 10.7519 11.4341 11.5484 12.8134 12.8350 12.8554 12.8779 12.9139 12.9588 13.0308 13.0820 k = 0.5062-0.0036 0.6022 ( 1876 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4383 2.4473 7.1832 7.3492 7.4363 7.5857 8.3786 8.4035 10.1030 10.1294 10.6605 10.6836 10.6897 10.7055 10.7393 10.7472 11.4378 11.5534 12.8313 12.8428 12.8608 12.8812 12.8905 12.9394 13.0284 13.0796 k = 0.5000-0.0000 0.6124 ( 1888 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4388 2.4478 7.1875 7.3719 7.4148 7.5825 8.3756 8.4003 10.1030 10.1294 10.6620 10.6859 10.6882 10.7032 10.7399 10.7452 11.4389 11.5549 12.8438 12.8482 12.8607 12.8736 12.8858 12.9311 13.0274 13.0787 k = 0.5000-0.0000 0.6124 ( 1888 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4388 2.4478 7.1875 7.3719 7.4148 7.5825 8.3756 8.4003 10.1030 10.1294 10.6620 10.6859 10.6882 10.7032 10.7399 10.7452 11.4389 11.5549 12.8438 12.8482 12.8607 12.8736 12.8858 12.9311 13.0274 13.0787 k = 0.5000 0.0074 0.6019 ( 1876 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4381 2.4471 7.1851 7.3703 7.4126 7.5812 8.3791 8.4043 10.1031 10.1296 10.6618 10.6871 10.6888 10.7036 10.7392 10.7480 11.4379 11.5536 12.8279 12.8494 12.8616 12.8736 12.8927 12.9452 13.0290 13.0803 k = 0.5000 0.0148 0.5914 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0097 -26.0095 2.4361 2.4450 7.1776 7.3618 7.4100 7.5778 8.3890 8.4161 10.1034 10.1299 10.6609 10.6878 10.6914 10.7067 10.7385 10.7543 11.4348 11.5494 12.8047 12.8504 12.8550 12.8664 12.9230 12.9717 13.0340 13.0853 k = 0.5000 0.0222 0.5810 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8395 -26.8389 -26.0125 -26.0116 -26.0096 -26.0095 2.4326 2.4416 7.1647 7.3409 7.4135 7.5736 8.4048 8.4342 10.1039 10.1307 10.6587 10.6850 10.6966 10.7152 10.7384 10.7634 11.4297 11.5427 12.7829 12.8303 12.8605 12.8726 12.9557 13.0008 13.0432 13.0947 k = 0.5000 0.0296 0.5705 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0125 -26.0116 -26.0096 -26.0094 2.4278 2.4368 7.1456 7.3083 7.4237 7.5707 8.4250 8.4573 10.1052 10.1321 10.6553 10.6800 10.7027 10.7290 10.7386 10.7756 11.4230 11.5338 12.7632 12.8105 12.8684 12.8809 12.9878 13.0290 13.0588 13.1103 k = 0.5000 0.0370 0.5600 ( 1874 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0125 -26.0116 -26.0096 -26.0094 2.4218 2.4307 7.1201 7.2671 7.4387 7.5707 8.4483 8.4834 10.1075 10.1345 10.6508 10.6740 10.7086 10.7385 10.7473 10.7914 11.4152 11.5233 12.7458 12.7925 12.8770 12.8906 13.0160 13.0534 13.0838 13.1343 k = 0.5000 0.0444 0.5496 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8388 -26.0125 -26.0116 -26.0095 -26.0093 2.4145 2.4233 7.0882 7.2198 7.4576 7.5749 8.4733 8.5110 10.1113 10.1381 10.6453 10.6672 10.7134 10.7384 10.7691 10.8110 11.4069 11.5117 12.7306 12.7765 12.8855 12.9009 13.0388 13.0733 13.1192 13.1673 k = 0.5000 0.0518 0.5391 ( 1866 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8388 -26.0125 -26.0116 -26.0094 -26.0092 2.4061 2.4148 7.0503 7.1678 7.4799 7.5839 8.4986 8.5386 10.1168 10.1433 10.6392 10.6599 10.7167 10.7375 10.7941 10.8343 11.3984 11.4996 12.7175 12.7624 12.8932 12.9111 13.0581 13.0898 13.1620 13.2071 k = 0.5000 0.0592 0.5286 ( 1862 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0125 -26.0116 -26.0094 -26.0092 2.3966 2.4053 7.0075 7.1125 7.5054 7.5979 8.5233 8.5652 10.1243 10.1501 10.6324 10.6523 10.7183 10.7356 10.8218 10.8609 11.3904 11.4875 12.7066 12.7503 12.9000 12.9206 13.0754 13.1041 13.2090 13.2515 k = 0.5000 0.0666 0.5182 ( 1866 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0124 -26.0116 -26.0093 -26.0091 2.3860 2.3946 6.9606 7.0549 7.5338 7.6166 8.5463 8.5897 10.1339 10.1587 10.6252 10.6444 10.7181 10.7326 10.8519 10.8903 11.3834 11.4761 12.6975 12.7400 12.9059 12.9290 13.0909 13.1162 13.2585 13.2992 k = 0.5000 0.0740 0.5077 ( 1864 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8387 -26.0124 -26.0117 -26.0092 -26.0090 2.3746 2.3831 6.9107 6.9958 7.5648 7.6395 8.5672 8.6115 10.1456 10.1692 10.6176 10.6363 10.7163 10.7283 10.8841 10.9222 11.3780 11.4659 12.6904 12.7316 12.9110 12.9362 13.1040 13.1261 13.3094 13.3495 k = 0.5000 0.0814 0.4972 ( 1862 PWs) bands (ev): -52.4441 -52.4441 -26.8392 -26.8387 -26.0124 -26.0117 -26.0091 -26.0089 2.3624 2.3708 6.8587 6.9359 7.5982 7.6661 8.5855 8.6302 10.1594 10.1814 10.6096 10.6279 10.7126 10.7225 10.9181 10.9562 11.3745 11.4575 12.6851 12.7250 12.9153 12.9423 13.1144 13.1337 13.3617 13.4021 k = 0.5000 0.0888 0.4868 ( 1866 PWs) bands (ev): -52.4441 -52.4441 -26.8392 -26.8386 -26.0124 -26.0117 -26.0089 -26.0088 2.3495 2.3577 6.8054 6.8756 7.6338 7.6961 8.6008 8.6456 10.1748 10.1951 10.6014 10.6195 10.7072 10.7152 10.9537 10.9919 11.3734 11.4511 12.6816 12.7202 12.9190 12.9474 13.1220 13.1390 13.4156 13.4573 k = 0.5000 0.0962 0.4763 ( 1866 PWs) bands (ev): -52.4441 -52.4441 -26.8391 -26.8386 -26.0124 -26.0117 -26.0088 -26.0087 2.3360 2.3440 6.7513 6.8155 7.6713 7.7289 8.6132 8.6576 10.1917 10.2102 10.5930 10.6108 10.7000 10.7064 10.9906 11.0291 11.3748 11.4472 12.6797 12.7170 12.9223 12.9517 13.1269 13.1423 13.4720 13.5155 k = 0.5000 0.1036 0.4658 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8391 -26.8385 -26.0124 -26.0117 -26.0087 -26.0085 2.3219 2.3298 6.6970 6.7560 7.7104 7.7640 8.6227 8.6663 10.2096 10.2261 10.5844 10.6021 10.6910 10.6962 11.0286 11.0675 11.3788 11.4458 12.6794 12.7154 12.9251 12.9552 13.1298 13.1440 13.5314 13.5768 k = 0.5000 0.1110 0.4554 ( 1870 PWs) bands (ev): -52.4442 -52.4441 -26.8390 -26.8385 -26.0124 -26.0118 -26.0086 -26.0084 2.3075 2.3152 6.6430 6.6973 7.7510 7.8012 8.6294 8.6719 10.2283 10.2428 10.5758 10.5933 10.6802 10.6849 11.0676 11.1068 11.3856 11.4473 12.6806 12.7154 12.9277 12.9582 13.1310 13.1443 13.5942 13.6412 k = 0.5000 0.1184 0.4449 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8389 -26.8384 -26.0124 -26.0118 -26.0084 -26.0083 2.2928 2.3003 6.5896 6.6397 7.7928 7.8400 8.6335 8.6747 10.2472 10.2597 10.5671 10.5844 10.6678 10.6726 11.1073 11.1469 11.3950 11.4513 12.6833 12.7169 12.9301 12.9606 13.1309 13.1436 13.6603 13.7087 k = 0.5000 0.1258 0.4344 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8389 -26.8384 -26.0124 -26.0118 -26.0083 -26.0081 2.2779 2.2852 6.5372 6.5834 7.8354 7.8801 8.6353 8.6750 10.2659 10.2766 10.5584 10.5756 10.6540 10.6594 11.1475 11.1874 11.4068 11.4580 12.6874 12.7198 12.9322 12.9626 13.1298 13.1419 13.7298 13.7790 k = 0.5000 0.1332 0.4240 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8388 -26.8383 -26.0124 -26.0118 -26.0081 -26.0080 2.2630 2.2701 6.4860 6.5288 7.8786 7.9210 8.6351 8.6731 10.2841 10.2931 10.5496 10.5667 10.6392 10.6455 11.1881 11.2281 11.4207 11.4671 12.6929 12.7241 12.9341 12.9641 13.1281 13.1396 13.8025 13.8520 k = 0.5000 0.1406 0.4135 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8388 -26.8383 -26.0124 -26.0119 -26.0080 -26.0079 2.2481 2.2549 6.4363 6.4758 7.9221 7.9625 8.6332 8.6694 10.3016 10.3090 10.5410 10.5579 10.6239 10.6309 11.2287 11.2687 11.4365 11.4783 12.6997 12.7297 12.9359 12.9651 13.1259 13.1368 13.8783 13.9273 k = 0.5000 0.1480 0.4030 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8387 -26.8382 -26.0124 -26.0119 -26.0078 -26.0077 2.2333 2.2398 6.3881 6.4246 7.9656 8.0041 8.6300 8.6642 10.3181 10.3241 10.5325 10.5492 10.6082 10.6159 11.2692 11.3091 11.4539 11.4914 12.7077 12.7366 12.9374 12.9658 13.1234 13.1337 13.9569 14.0049 k = 0.5000 0.1554 0.3925 ( 1872 PWs) bands (ev): -52.4442 -52.4442 -26.8386 -26.8382 -26.0124 -26.0119 -26.0077 -26.0076 2.2187 2.2249 6.3418 6.3755 8.0089 8.0455 8.6256 8.6579 10.3334 10.3384 10.5241 10.5405 10.5924 10.6006 11.3093 11.3488 11.4725 11.5061 12.7168 12.7446 12.9387 12.9659 13.1208 13.1303 14.0383 14.0845 k = 0.5000 0.1628 0.3821 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8386 -26.8382 -26.0124 -26.0120 -26.0075 -26.0074 2.2044 2.2104 6.2974 6.3285 8.0515 8.0864 8.6206 8.6507 10.3473 10.3517 10.5159 10.5321 10.5769 10.5854 11.3487 11.3877 11.4921 11.5220 12.7271 12.7537 12.9397 12.9656 13.1181 13.1269 14.1223 14.1661 k = 0.5000 0.1702 0.3716 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8385 -26.8381 -26.0124 -26.0120 -26.0073 -26.0073 2.1904 2.1962 6.2550 6.2837 8.0932 8.1264 8.6150 8.6431 10.3598 10.3639 10.5080 10.5239 10.5619 10.5703 11.3872 11.4254 11.5123 11.5390 12.7384 12.7638 12.9404 12.9649 13.1156 13.1236 14.2085 14.2495 k = 0.5000 0.1776 0.3611 ( 1868 PWs) bands (ev): -52.4443 -52.4442 -26.8384 -26.8381 -26.0124 -26.0120 -26.0072 -26.0072 2.1770 2.1824 6.2148 6.2412 8.1337 8.1652 8.6093 8.6351 10.3708 10.3751 10.5004 10.5160 10.5475 10.5556 11.4245 11.4617 11.5329 11.5565 12.7506 12.7748 12.9408 12.9636 13.1132 13.1203 14.2970 14.3346 k = 0.5000 0.1850 0.3507 ( 1868 PWs) bands (ev): -52.4443 -52.4443 -26.8384 -26.8380 -26.0124 -26.0121 -26.0071 -26.0070 2.1641 2.1692 6.1769 6.2011 8.1726 8.2024 8.6036 8.6273 10.3802 10.3850 10.4931 10.5084 10.5340 10.5414 11.4603 11.4964 11.5536 11.5744 12.7637 12.7866 12.9409 12.9619 13.1110 13.1172 14.3874 14.4212 k = 0.5000 0.1925 0.3402 ( 1862 PWs) bands (ev): -52.4443 -52.4443 -26.8383 -26.8380 -26.0124 -26.0121 -26.0069 -26.0069 2.1518 2.1565 6.1414 6.1635 8.2096 8.2376 8.5984 8.6197 10.3881 10.3937 10.4862 10.5015 10.5215 10.5281 11.4946 11.5293 11.5741 11.5924 12.7775 12.7991 12.9407 12.9599 13.1090 13.1144 14.4797 14.5093 k = 0.5000 0.1999 0.3297 ( 1868 PWs) bands (ev): -52.4443 -52.4443 -26.8383 -26.8379 -26.0124 -26.0121 -26.0068 -26.0068 2.1401 2.1445 6.1082 6.1283 8.2444 8.2705 8.5937 8.6127 10.3945 10.4009 10.4796 10.4951 10.5100 10.5156 11.5269 11.5600 11.5941 11.6102 12.7918 12.8121 12.9400 12.9573 13.1071 13.1118 14.5737 14.5987 k = 0.5000 0.2073 0.3193 ( 1874 PWs) bands (ev): -52.4443 -52.4443 -26.8382 -26.8379 -26.0124 -26.0121 -26.0067 -26.0067 2.1292 2.1333 6.0776 6.0958 8.2766 8.3007 8.5898 8.6064 10.3994 10.4065 10.4735 10.4896 10.4994 10.5047 11.5572 11.5884 11.6135 11.6275 12.8065 12.8254 12.9391 12.9545 13.1055 13.1094 14.6689 14.6892 k = 0.5000 0.2147 0.3088 ( 1876 PWs) bands (ev): -52.4443 -52.4443 -26.8381 -26.8379 -26.0124 -26.0122 -26.0066 -26.0065 2.1191 2.1228 6.0495 6.0658 8.3060 8.3279 8.5871 8.6012 10.4029 10.4105 10.4679 10.4850 10.4894 10.4959 11.5853 11.6145 11.6321 11.6442 12.8215 12.8390 12.9379 12.9515 13.1039 13.1073 14.7653 14.7805 k = 0.5000 0.2221 0.2983 ( 1872 PWs) bands (ev): -52.4443 -52.4443 -26.8381 -26.8378 -26.0124 -26.0122 -26.0064 -26.0064 2.1098 2.1132 6.0240 6.0385 8.3321 8.3517 8.5857 8.5973 10.4051 10.4126 10.4630 10.4797 10.4817 10.4894 11.6111 11.6381 11.6497 11.6601 12.8365 12.8525 12.9365 12.9484 13.1025 13.1054 14.8625 14.8723 k = 0.5000 0.2295 0.2879 ( 1876 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8378 -26.0124 -26.0122 -26.0064 -26.0063 2.1014 2.1044 6.0011 6.0139 8.3548 8.3720 8.5857 8.5948 10.4060 10.4130 10.4587 10.4710 10.4788 10.4851 11.6345 11.6590 11.6661 11.6749 12.8512 12.8656 12.9350 12.9452 13.1011 13.1036 14.9598 14.9644 k = 0.5000 0.2369 0.2774 ( 1880 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8378 -26.0124 -26.0122 -26.0063 -26.0063 2.0939 2.0965 5.9810 5.9921 8.3740 8.3887 8.5871 8.5938 10.4060 10.4119 10.4547 10.4632 10.4770 10.4825 11.6554 11.6770 11.6812 11.6884 12.8653 12.8782 12.9335 12.9422 13.0997 13.1018 15.0548 15.0580 k = 0.5000 0.2443 0.2669 ( 1880 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8378 -26.0124 -26.0123 -26.0062 -26.0062 2.0874 2.0896 5.9636 5.9730 8.3895 8.4018 8.5897 8.5943 10.4053 10.4100 10.4511 10.4565 10.4762 10.4812 11.6738 11.6920 11.6953 11.7004 12.8786 12.8898 12.9321 12.9393 13.0984 13.1001 15.1455 15.1541 k = 0.5000 0.2517 0.2565 ( 1880 PWs) bands (ev): -52.4443 -52.4443 -26.8379 -26.8378 -26.0124 -26.0123 -26.0061 -26.0061 2.0818 2.0837 5.9489 5.9567 8.4017 8.4117 8.5931 8.5959 10.4042 10.4077 10.4478 10.4509 10.4761 10.4805 11.6895 11.7040 11.7078 11.7110 12.8907 12.9002 12.9311 12.9368 13.0970 13.0985 15.2338 15.2488 k = 0.5000 0.2591 0.2460 ( 1878 PWs) bands (ev): -52.4443 -52.4443 -26.8379 -26.8378 -26.0124 -26.0123 -26.0061 -26.0061 2.0773 2.0788 5.9370 5.9432 8.4110 8.4187 8.5968 8.5983 10.4030 10.4054 10.4448 10.4463 10.4766 10.4803 11.7027 11.7137 11.7181 11.7197 12.9011 12.9087 12.9307 12.9349 13.0958 13.0969 15.3191 15.3408 k = 0.5000 0.2665 0.2355 ( 1884 PWs) bands (ev): -52.4444 -52.4444 -26.8379 -26.8378 -26.0124 -26.0123 -26.0060 -26.0060 2.0738 2.0749 5.9279 5.9325 8.4177 8.4233 8.6003 8.6010 10.4018 10.4034 10.4422 10.4428 10.4772 10.4801 11.7132 11.7212 11.7260 11.7267 12.9093 12.9148 12.9311 12.9337 13.0946 13.0955 15.4002 15.4288 k = 0.5000 0.2739 0.2251 ( 1890 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0123 -26.0060 -26.0060 2.0713 2.0721 5.9216 5.9246 8.4223 8.4260 8.6032 8.6034 10.4008 10.4018 10.4402 10.4404 10.4779 10.4799 11.7211 11.7263 11.7315 11.7317 12.9149 12.9182 12.9325 12.9335 13.0937 13.0943 15.4756 15.5113 k = 0.5000 0.2813 0.2146 ( 1892 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0123 -26.0060 -26.0060 2.0699 2.0703 5.9181 5.9196 8.4253 8.4271 8.6050 8.6050 10.4003 10.4008 10.4389 10.4390 10.4786 10.4796 11.7264 11.7289 11.7347 11.7347 12.9180 12.9194 12.9340 12.9341 13.0932 13.0935 15.5433 15.5859 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0124 -26.0060 -26.0060 2.0695 2.0695 5.9174 5.9174 8.4269 8.4269 8.6056 8.6056 10.4002 10.4002 10.4385 10.4385 10.4792 10.4792 11.7290 11.7290 11.7357 11.7357 12.9193 12.9193 12.9345 12.9345 13.0931 13.0931 15.6004 15.6004 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0124 -26.0060 -26.0060 2.0695 2.0695 5.9174 5.9174 8.4269 8.4269 8.6056 8.6056 10.4002 10.4002 10.4385 10.4385 10.4792 10.4792 11.7290 11.7290 11.7357 11.7357 12.9193 12.9193 12.9345 12.9345 13.0931 13.0931 15.6004 15.6004 k = 0.4963 0.2866 0.2161 ( 1892 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0123 -26.0060 -26.0060 2.0699 2.0703 5.9181 5.9196 8.4253 8.4271 8.6050 8.6050 10.4003 10.4007 10.4389 10.4389 10.4786 10.4796 11.7264 11.7289 11.7347 11.7347 12.9180 12.9194 12.9340 12.9341 13.0932 13.0935 15.5437 15.5864 k = 0.4926 0.2844 0.2281 ( 1888 PWs) bands (ev): -52.4444 -52.4444 -26.8378 -26.8378 -26.0124 -26.0123 -26.0060 -26.0060 2.0713 2.0720 5.9215 5.9246 8.4224 8.4260 8.6033 8.6033 10.4008 10.4018 10.4402 10.4403 10.4780 10.4799 11.7213 11.7264 11.7316 11.7317 12.9150 12.9181 12.9328 12.9333 13.0937 13.0943 15.4765 15.5122 k = 0.4890 0.2823 0.2401 ( 1883 PWs) bands (ev): -52.4444 -52.4444 -26.8379 -26.8378 -26.0124 -26.0123 -26.0060 -26.0060 2.0737 2.0748 5.9277 5.9323 8.4178 8.4234 8.6007 8.6008 10.4018 10.4033 10.4424 10.4425 10.4773 10.4801 11.7135 11.7213 11.7263 11.7266 12.9096 12.9146 12.9319 12.9331 13.0946 13.0954 15.4014 15.4298 k = 0.4853 0.2802 0.2522 ( 1881 PWs) bands (ev): -52.4443 -52.4443 -26.8379 -26.8378 -26.0124 -26.0123 -26.0061 -26.0061 2.0772 2.0787 5.9367 5.9429 8.4112 8.4188 8.5975 8.5978 10.4030 10.4052 10.4452 10.4456 10.4766 10.4802 11.7031 11.7139 11.7188 11.7195 12.9014 12.9084 12.9322 12.9337 13.0957 13.0969 15.3200 15.3413 k = 0.4816 0.2781 0.2642 ( 1881 PWs) bands (ev): -52.4443 -52.4443 -26.8379 -26.8378 -26.0124 -26.0123 -26.0061 -26.0061 2.0817 2.0835 5.9484 5.9562 8.4022 8.4117 8.5944 8.5949 10.4044 10.4073 10.4487 10.4496 10.4761 10.4805 11.6901 11.7044 11.7089 11.7104 12.8911 12.8997 12.9335 12.9352 13.0970 13.0984 15.2334 15.2479 k = 0.4779 0.2759 0.2762 ( 1881 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8378 -26.0124 -26.0123 -26.0062 -26.0062 2.0871 2.0894 5.9629 5.9723 8.3902 8.4018 8.5919 8.5925 10.4058 10.4094 10.4527 10.4545 10.4763 10.4811 11.6747 11.6927 11.6968 11.6994 12.8789 12.8892 12.9355 12.9373 13.0982 13.0999 15.1426 15.1508 k = 0.4743 0.2738 0.2882 ( 1874 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8378 -26.0124 -26.0122 -26.0063 -26.0063 2.0936 2.0962 5.9801 5.9912 8.3750 8.3885 8.5905 8.5913 10.4068 10.4111 10.4571 10.4602 10.4776 10.4822 11.6569 11.6790 11.6825 11.6865 12.8652 12.8773 12.9381 12.9400 13.0995 13.1015 15.0484 15.0509 k = 0.4706 0.2717 0.3002 ( 1874 PWs) bands (ev): -52.4443 -52.4443 -26.8380 -26.8378 -26.0124 -26.0122 -26.0063 -26.0063 2.1010 2.1040 6.0000 6.0127 8.3561 8.3715 8.5906 8.5914 10.4071 10.4120 10.4616 10.4667 10.4804 10.4842 11.6367 11.6629 11.6665 11.6719 12.8505 12.8643 12.9412 12.9431 13.1007 13.1029 14.9492 14.9518 k = 0.4669 0.2696 0.3122 ( 1870 PWs) bands (ev): -52.4443 -52.4443 -26.8381 -26.8378 -26.0124 -26.0122 -26.0064 -26.0064 2.1093 2.1126 6.0225 6.0370 8.3335 8.3506 8.5924 8.5930 10.4064 10.4116 10.4663 10.4737 10.4852 10.4874 11.6144 11.6443 11.6491 11.6555 12.8349 12.8507 12.9447 12.9466 13.1019 13.1043 14.8465 14.8536 k = 0.4632 0.2674 0.3242 ( 1872 PWs) bands (ev): -52.4443 -52.4443 -26.8381 -26.8379 -26.0124 -26.0122 -26.0065 -26.0065 2.1184 2.1221 6.0477 6.0639 8.3072 8.3259 8.5959 8.5964 10.4045 10.4097 10.4713 10.4809 10.4919 10.4925 11.5898 11.6233 11.6305 11.6376 12.8188 12.8365 12.9486 12.9503 13.1030 13.1057 14.7437 14.7546 k = 0.4596 0.2653 0.3362 ( 1869 PWs) bands (ev): -52.4443 -52.4443 -26.8382 -26.8379 -26.0124 -26.0121 -26.0067 -26.0066 2.1284 2.1325 6.0754 6.0935 8.2774 8.2977 8.6012 8.6013 10.4012 10.4061 10.4772 10.4880 10.4998 10.5001 11.5632 11.6002 11.6105 11.6183 12.8025 12.8221 12.9528 12.9544 13.1040 13.1070 14.6413 14.6555 k = 0.4559 0.2632 0.3482 ( 1869 PWs) bands (ev): -52.4443 -52.4443 -26.8383 -26.8379 -26.0124 -26.0121 -26.0068 -26.0068 2.1392 2.1436 6.1056 6.1257 8.2443 8.2661 8.6077 8.6080 10.3964 10.4008 10.4840 10.4951 10.5091 10.5096 11.5348 11.5752 11.5893 11.5976 12.7860 12.8076 12.9572 12.9587 13.1050 13.1083 14.5402 14.5572 k = 0.4522 0.2611 0.3602 ( 1873 PWs) bands (ev): -52.4443 -52.4443 -26.8383 -26.8380 -26.0124 -26.0121 -26.0069 -26.0069 2.1507 2.1554 6.1383 6.1604 8.2081 8.2314 8.6154 8.6163 10.3901 10.3939 10.4916 10.5025 10.5201 10.5202 11.5046 11.5484 11.5670 11.5758 12.7697 12.7933 12.9619 12.9633 13.1061 13.1096 14.4408 14.4602 k = 0.4485 0.2590 0.3722 ( 1875 PWs) bands (ev): -52.4443 -52.4443 -26.8384 -26.8380 -26.0124 -26.0121 -26.0071 -26.0070 2.1628 2.1678 6.1734 6.1975 8.1691 8.1940 8.6244 8.6258 10.3823 10.3855 10.5000 10.5106 10.5319 10.5323 11.4729 11.5200 11.5436 11.5529 12.7537 12.7792 12.9669 12.9680 13.1072 13.1110 14.3438 14.3651 k = 0.4449 0.2568 0.3842 ( 1873 PWs) bands (ev): -52.4443 -52.4442 -26.8384 -26.8381 -26.0124 -26.0120 -26.0072 -26.0071 2.1755 2.1809 6.2107 6.2372 8.1276 8.1541 8.6346 8.6364 10.3731 10.3757 10.5091 10.5192 10.5444 10.5455 11.4400 11.4902 11.5194 11.5291 12.7382 12.7656 12.9721 12.9730 13.1083 13.1125 14.2496 14.2723 k = 0.4412 0.2547 0.3962 ( 1866 PWs) bands (ev): -52.4442 -52.4442 -26.8385 -26.8381 -26.0124 -26.0120 -26.0073 -26.0073 2.1887 2.1944 6.2503 6.2791 8.0838 8.1121 8.6458 8.6481 10.3625 10.3646 10.5186 10.5284 10.5579 10.5596 11.4059 11.4593 11.4946 11.5046 12.7234 12.7525 12.9775 12.9780 13.1096 13.1141 14.1586 14.1825 k = 0.4375 0.2526 0.4082 ( 1868 PWs) bands (ev): -52.4442 -52.4442 -26.8386 -26.8381 -26.0124 -26.0120 -26.0075 -26.0074 2.2024 2.2083 6.2919 6.3233 8.0380 8.0681 8.6579 8.6607 10.3504 10.3520 10.5284 10.5380 10.5721 10.5746 11.3709 11.4274 11.4691 11.4794 12.7093 12.7402 12.9830 12.9832 13.1109 13.1159 14.0711 14.0958 k = 0.4338 0.2505 0.4203 ( 1864 PWs) bands (ev): -52.4442 -52.4442 -26.8386 -26.8382 -26.0124 -26.0119 -26.0076 -26.0075 2.2163 2.2226 6.3355 6.3697 7.9904 8.0226 8.6708 8.6742 10.3371 10.3382 10.5385 10.5480 10.5870 10.5903 11.3352 11.3947 11.4432 11.4537 12.6963 12.7287 12.9885 12.9888 13.1124 13.1179 13.9875 14.0127 k = 0.4301 0.2483 0.4323 ( 1863 PWs) bands (ev): -52.4442 -52.4442 -26.8387 -26.8382 -26.0124 -26.0119 -26.0078 -26.0077 2.2306 2.2371 6.3809 6.4182 7.9413 7.9758 8.6846 8.6884 10.3223 10.3230 10.5488 10.5583 10.6026 10.6067 11.2991 11.3614 11.4170 11.4278 12.6843 12.7182 12.9939 12.9946 13.1139 13.1202 13.9079 13.9333 k = 0.4265 0.2462 0.4443 ( 1867 PWs) bands (ev): -52.4442 -52.4442 -26.8387 -26.8383 -26.0124 -26.0119 -26.0079 -26.0078 2.2449 2.2517 6.4280 6.4686 7.8910 7.9281 8.6991 8.7034 10.3064 10.3066 10.5592 10.5688 10.6188 10.6236 11.2625 11.3277 11.3908 11.4017 12.6736 12.7087 12.9993 13.0005 13.1155 13.1226 13.8325 13.8578 k = 0.4228 0.2441 0.4563 ( 1867 PWs) bands (ev): -52.4442 -52.4442 -26.8388 -26.8383 -26.0124 -26.0119 -26.0081 -26.0079 2.2593 2.2663 6.4764 6.5207 7.8398 7.8798 8.7142 8.7189 10.2891 10.2893 10.5697 10.5795 10.6354 10.6410 11.2259 11.2937 11.3647 11.3757 12.6643 12.7005 13.0046 13.0064 13.1172 13.1252 13.7617 13.7866 k = 0.4191 0.2420 0.4683 ( 1863 PWs) bands (ev): -52.4442 -52.4442 -26.8389 -26.8384 -26.0125 -26.0119 -26.0082 -26.0081 2.2736 2.2808 6.5259 6.5743 7.7881 7.8315 8.7299 8.7351 10.2707 10.2712 10.5801 10.5902 10.6523 10.6588 11.1893 11.2596 11.3389 11.3500 12.6564 12.6936 13.0099 13.0124 13.1189 13.1280 13.6954 13.7196 k = 0.4154 0.2399 0.4803 ( 1861 PWs) bands (ev): -52.4442 -52.4441 -26.8389 -26.8384 -26.0125 -26.0118 -26.0084 -26.0082 2.2877 2.2951 6.5762 6.6293 7.7363 7.7836 8.7462 8.7519 10.2513 10.2522 10.5904 10.6008 10.6694 10.6767 11.1529 11.2254 11.3137 11.3247 12.6502 12.6881 13.0150 13.0183 13.1204 13.1309 13.6338 13.6569 k = 0.4118 0.2377 0.4923 ( 1865 PWs) bands (ev): -52.4442 -52.4441 -26.8390 -26.8385 -26.0125 -26.0118 -26.0085 -26.0083 2.3015 2.3091 6.6267 6.6851 7.6849 7.7367 8.7630 8.7690 10.2313 10.2326 10.6006 10.6114 10.6864 10.6945 11.1166 11.1913 11.2892 11.3001 12.6457 12.6841 13.0198 13.0239 13.1218 13.1340 13.5770 13.5987 k = 0.4081 0.2356 0.5043 ( 1861 PWs) bands (ev): -52.4441 -52.4441 -26.8390 -26.8385 -26.0125 -26.0118 -26.0086 -26.0084 2.3147 2.3225 6.6769 6.7414 7.6346 7.6916 8.7803 8.7867 10.2109 10.2125 10.6105 10.6218 10.7031 10.7121 11.0807 11.1573 11.2659 11.2766 12.6430 12.6817 13.0243 13.0294 13.1228 13.1370 13.5251 13.5451 k = 0.4044 0.2335 0.5163 ( 1863 PWs) bands (ev): -52.4441 -52.4441 -26.8391 -26.8386 -26.0125 -26.0118 -26.0087 -26.0085 2.3274 2.3352 6.7260 6.7974 7.5861 7.6493 8.7980 8.8047 10.1902 10.1922 10.6202 10.6320 10.7193 10.7292 11.0452 11.1235 11.2440 11.2544 12.6422 12.6810 13.0281 13.0343 13.1233 13.1400 13.4783 13.4960 k = 0.4007 0.2314 0.5283 ( 1867 PWs) bands (ev): -52.4441 -52.4441 -26.8391 -26.8386 -26.0125 -26.0118 -26.0088 -26.0086 2.3392 2.3472 6.7728 6.8521 7.5408 7.6110 8.8160 8.8230 10.1697 10.1719 10.6296 10.6419 10.7345 10.7454 11.0100 11.0898 11.2237 11.2338 12.6434 12.6820 13.0309 13.0384 13.1230 13.1427 13.4367 13.4517 k = 0.3971 0.2292 0.5403 ( 1875 PWs) bands (ev): -52.4441 -52.4441 -26.8392 -26.8387 -26.0125 -26.0118 -26.0089 -26.0087 2.3501 2.3581 6.8158 6.9037 7.5003 7.5784 8.8343 8.8416 10.1496 10.1521 10.6385 10.6514 10.7484 10.7602 10.9752 11.0562 11.2056 11.2153 12.6464 12.6847 13.0322 13.0412 13.1217 13.1450 13.4006 13.4123 k = 0.3934 0.2271 0.5523 ( 1873 PWs) bands (ev): -52.4441 -52.4441 -26.8392 -26.8387 -26.0126 -26.0118 -26.0090 -26.0088 2.3599 2.3680 6.8534 6.9498 7.4675 7.5534 8.8529 8.8605 10.1302 10.1330 10.6470 10.6606 10.7606 10.7732 10.9409 11.0229 11.1902 11.1993 12.6515 12.6892 13.0317 13.0424 13.1192 13.1467 13.3700 13.3780 k = 0.3897 0.2250 0.5643 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0126 -26.0119 -26.0091 -26.0088 2.3684 2.3765 6.8833 6.9866 7.4462 7.5382 8.8717 8.8795 10.1118 10.1148 10.6550 10.6692 10.7705 10.7839 10.9071 10.9899 11.1777 11.1863 12.6585 12.6954 13.0282 13.0408 13.1154 13.1473 13.3451 13.3491 k = 0.3860 0.2229 0.5764 ( 1872 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0126 -26.0119 -26.0091 -26.0089 2.3754 2.3835 6.9038 7.0098 7.4409 7.5348 8.8907 8.8987 10.0948 10.0980 10.6623 10.6771 10.7778 10.7915 10.8742 10.9572 11.1686 11.1768 12.6673 12.7033 13.0207 13.0354 13.1103 13.1467 13.3257 13.3258 k = 0.3824 0.2208 0.5884 ( 1873 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8388 -26.0126 -26.0119 -26.0092 -26.0089 2.3809 2.3889 6.9137 7.0167 7.4543 7.5446 8.9098 8.9181 10.0793 10.0828 10.6688 10.6841 10.7820 10.7948 10.8431 10.9249 11.1631 11.1709 12.6778 12.7127 13.0079 13.0246 13.1043 13.1446 13.3084 13.3115 k = 0.3787 0.2186 0.6004 ( 1877 PWs) bands (ev): -52.4441 -52.4441 -26.8393 -26.8389 -26.0127 -26.0119 -26.0092 -26.0090 2.3845 2.3924 6.9133 7.0084 7.4857 7.5673 8.9290 8.9374 10.0657 10.0693 10.6742 10.6898 10.7831 10.7896 10.8182 10.8934 11.1614 11.1689 12.6898 12.7235 12.9885 13.0066 13.0980 13.1413 13.2966 13.3021 k = 0.3750 0.2165 0.6124 ( 1878 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3861 2.3940 6.9041 6.9890 7.5309 7.6016 8.9483 8.9568 10.0542 10.0580 10.6781 10.6929 10.7697 10.7810 10.8070 10.8630 11.1631 11.1705 12.7032 12.7355 12.9618 12.9807 13.0922 13.1372 13.2899 13.2966 k = 0.6250-0.0722 0.4082 ( 1878 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3861 2.3940 6.9041 6.9890 7.5309 7.6016 8.9483 8.9568 10.0542 10.0580 10.6781 10.6929 10.7697 10.7810 10.8070 10.8630 11.1631 11.1705 12.7032 12.7355 12.9618 12.9807 13.0922 13.1372 13.2899 13.2966 k = 0.6188-0.0830 0.4082 ( 1868 PWs) bands (ev): -52.4441 -52.4441 -26.8394 -26.8389 -26.0127 -26.0120 -26.0092 -26.0090 2.3864 2.3940 6.8810 6.9501 7.6189 7.6726 8.9814 8.9902 10.0367 10.0409 10.6829 10.6917 10.7282 10.7738 10.7988 10.8137 11.1687 11.1761 12.7267 12.7561 12.9071 12.9260 13.0839 13.1307 13.2833 13.2906 k = 0.6125-0.0938 0.4082 ( 1860 PWs) bands (ev): -52.4441 -52.4440 -26.8394 -26.8390 -26.0128 -26.0121 -26.0093 -26.0090 2.3854 2.3927 6.8559 6.9129 7.7106 7.7510 9.0152 9.0242 10.0195 10.0241 10.6654 10.6870 10.7080 10.7510 10.7795 10.7932 11.1740 11.1814 12.7489 12.7742 12.8472 12.8667 13.0772 13.1254 13.2781 13.2842 k = 0.6062-0.1046 0.4082 ( 1864 PWs) bands (ev): -52.4441 -52.4440 -26.8394 -26.8390 -26.0128 -26.0122 -26.0093 -26.0091 2.3832 2.3903 6.8299 6.8774 7.8055 7.8353 9.0495 9.0587 10.0026 10.0076 10.6183 10.6888 10.7046 10.7068 10.7703 10.7882 11.1788 11.1862 12.7647 12.7752 12.7889 12.8192 13.0719 13.1212 13.2716 13.2762 k = 0.6000-0.1155 0.4082 ( 1864 PWs) bands (ev): -52.4441 -52.4440 -26.8395 -26.8390 -26.0128 -26.0122 -26.0093 -26.0091 2.3801 2.3869 6.8037 6.8437 7.9032 7.9241 9.0841 9.0936 9.9862 9.9915 10.5679 10.6484 10.6958 10.7075 10.7647 10.7839 11.1832 11.1906 12.7142 12.7223 12.7937 12.8226 13.0683 13.1182 13.2563 13.2658 k = 0.5938-0.1263 0.4082 ( 1868 PWs) bands (ev): -52.4441 -52.4440 -26.8395 -26.8391 -26.0129 -26.0123 -26.0093 -26.0091 2.3763 2.3827 6.7780 6.8120 8.0031 8.0167 9.1187 9.1286 9.9701 9.9759 10.5164 10.5952 10.6984 10.7082 10.7599 10.7800 11.1871 11.1943 12.6488 12.6566 12.8114 12.8369 13.0664 13.1166 13.2426 13.2545 k = 0.5875-0.1371 0.4082 ( 1866 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8391 -26.0129 -26.0124 -26.0092 -26.0091 2.3719 2.3779 6.7531 6.7821 8.1048 8.1120 9.1533 9.1636 9.9546 9.9607 10.4642 10.5410 10.7009 10.7085 10.7557 10.7766 11.1904 11.1975 12.5836 12.5904 12.8278 12.8509 13.0663 13.1163 13.2311 13.2434 k = 0.5813-0.1479 0.4082 ( 1862 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8391 -26.0129 -26.0124 -26.0092 -26.0091 2.3671 2.3728 6.7293 6.7542 8.2078 8.2095 9.1876 9.1984 9.9395 9.9460 10.4114 10.4862 10.7031 10.7085 10.7520 10.7737 11.1930 11.1999 12.5201 12.5257 12.8422 12.8634 13.0681 13.1176 13.2213 13.2333 k = 0.5750-0.1588 0.4082 ( 1862 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8392 -26.0129 -26.0125 -26.0092 -26.0091 2.3620 2.3673 6.7069 6.7282 8.3084 8.3118 9.2213 9.2327 9.9248 9.9316 10.3582 10.4309 10.7047 10.7081 10.7488 10.7713 11.1949 11.2015 12.4590 12.4636 12.8544 12.8739 13.0718 13.1203 13.2129 13.2242 k = 0.5687-0.1696 0.4082 ( 1862 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8392 -26.0130 -26.0126 -26.0092 -26.0091 2.3569 2.3618 6.6859 6.7042 8.4081 8.4160 9.2542 9.2662 9.9102 9.9175 10.3047 10.3752 10.7057 10.7073 10.7464 10.7692 11.1960 11.2023 12.4010 12.4046 12.8644 12.8824 13.0773 13.1244 13.2056 13.2161 k = 0.5625-0.1804 0.4082 ( 1860 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8392 -26.0130 -26.0126 -26.0092 -26.0091 2.3518 2.3563 6.6665 6.6821 8.5079 8.5202 9.2859 9.2988 9.8958 9.9034 10.2512 10.3192 10.7062 10.7063 10.7447 10.7675 11.1963 11.2024 12.3466 12.3493 12.8723 12.8891 13.0845 13.1298 13.1992 13.2088 k = 0.5563-0.1912 0.4082 ( 1860 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8392 -26.0130 -26.0127 -26.0092 -26.0091 2.3469 2.3510 6.6487 6.6621 8.6073 8.6236 9.3160 9.3300 9.8810 9.8888 10.1979 10.2631 10.7051 10.7061 10.7437 10.7660 11.1960 11.2016 12.2963 12.2983 12.8784 12.8939 13.0930 13.1361 13.1936 13.2023 k = 0.5500-0.2021 0.4082 ( 1862 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8393 -26.0131 -26.0128 -26.0091 -26.0091 2.3423 2.3459 6.6328 6.6442 8.7057 8.7259 9.3444 9.3597 9.8652 9.8732 10.1457 10.2075 10.7038 10.7056 10.7435 10.7647 11.1949 11.2000 12.2503 12.2517 12.8829 12.8972 13.1025 13.1432 13.1888 13.1965 k = 0.5437-0.2129 0.4082 ( 1866 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8393 -26.0131 -26.0128 -26.0091 -26.0091 2.3380 2.3412 6.6186 6.6282 8.8024 8.8262 9.3705 9.3875 9.8477 9.8551 10.0959 10.1533 10.7025 10.7046 10.7438 10.7635 11.1932 11.1978 12.2091 12.2100 12.8863 12.8992 13.1127 13.1505 13.1846 13.1914 k = 0.5375-0.2237 0.4082 ( 1858 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8393 -26.0131 -26.0129 -26.0091 -26.0091 2.3341 2.3369 6.6064 6.6143 8.8965 8.9240 9.3942 9.4133 9.8269 9.8329 10.0504 10.1019 10.7013 10.7036 10.7447 10.7624 11.1913 11.1953 12.1730 12.1735 12.8888 12.9003 13.1231 13.1577 13.1811 13.1871 k = 0.5312-0.2345 0.4082 ( 1866 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8393 -26.0131 -26.0129 -26.0091 -26.0091 2.3308 2.3331 6.5960 6.6024 8.9873 9.0181 9.4151 9.4368 9.8007 9.8040 10.0118 10.0554 10.7002 10.7023 10.7459 10.7612 11.1891 11.1925 12.1421 12.1423 12.8906 12.9005 13.1333 13.1643 13.1781 13.1833 k = 0.5250-0.2454 0.4082 ( 1858 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8394 -26.0131 -26.0130 -26.0091 -26.0090 2.3280 2.3298 6.5876 6.5926 9.0734 9.1071 9.4333 9.4582 9.7672 9.7672 9.9826 10.0164 10.6994 10.7012 10.7474 10.7601 11.1870 11.1897 12.1167 12.1167 12.8920 12.9001 13.1432 13.1699 13.1758 13.1802 k = 0.5188-0.2562 0.4082 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8394 -26.0131 -26.0130 -26.0091 -26.0090 2.3258 2.3272 6.5811 6.5848 9.1529 9.1881 9.4495 9.4776 9.7232 9.7254 9.9626 9.9864 10.6987 10.7001 10.7491 10.7588 11.1850 11.1870 12.0967 12.0967 12.8932 12.8994 13.1522 13.1733 13.1746 13.1777 k = 0.5125-0.2670 0.4082 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8394 -26.0131 -26.0130 -26.0090 -26.0090 2.3243 2.3253 6.5767 6.5791 9.2224 9.2555 9.4660 9.4956 9.6763 9.6777 9.9509 9.9656 10.6983 10.6992 10.7508 10.7574 11.1835 11.1848 12.0823 12.0824 12.8942 12.8985 13.1601 13.1725 13.1760 13.1762 k = 0.5062-0.2778 0.4082 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8395 -26.8394 -26.0131 -26.0131 -26.0090 -26.0090 2.3235 2.3240 6.5743 6.5755 9.2760 9.2980 9.4875 9.5106 9.6323 9.6340 9.9458 9.9528 10.6981 10.6986 10.7526 10.7559 11.1826 11.1833 12.0738 12.0738 12.8953 12.8974 13.1662 13.1715 13.1751 13.1764 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): -52.4440 -52.4440 -26.8394 -26.8394 -26.0131 -26.0131 -26.0090 -26.0090 2.3234 2.3234 6.5738 6.5738 9.3045 9.3045 9.5100 9.5100 9.6121 9.6121 9.9464 9.9464 10.6982 10.6982 10.7543 10.7543 11.1826 11.1826 12.0709 12.0709 12.8964 12.8964 13.1700 13.1700 13.1754 13.1754 Writing output data file VFeSb.save init_run : 1.16s CPU 0.66s WALL ( 1 calls) electrons : 223.69s CPU 133.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 223.68s CPU 133.01s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.32s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.25s WALL ( 363 calls) cegterg : 204.10s CPU 120.52s WALL ( 560 calls) Called by sum_band: Called by *egterg: h_psi : 109.20s CPU 66.02s WALL ( 8832 calls) s_psi : 6.81s CPU 3.79s WALL ( 8832 calls) g_psi : 0.19s CPU 0.10s WALL ( 7909 calls) cdiaghg : 86.95s CPU 50.26s WALL ( 8272 calls) cegterg:over : 6.30s CPU 3.44s WALL ( 7909 calls) cegterg:upda : 4.00s CPU 2.27s WALL ( 7909 calls) cegterg:last : 2.34s CPU 1.41s WALL ( 1592 calls) cdiaghg:chol : 4.47s CPU 2.59s WALL ( 8272 calls) cdiaghg:inve : 2.27s CPU 1.34s WALL ( 8272 calls) cdiaghg:para : 4.18s CPU 2.70s WALL ( 16544 calls) Called by h_psi: h_psi:vloc : 94.56s CPU 57.49s WALL ( 8832 calls) h_psi:vnl : 14.48s CPU 8.44s WALL ( 8832 calls) add_vuspsi : 9.26s CPU 5.24s WALL ( 8832 calls) General routines calbec : 5.16s CPU 3.17s WALL ( 8832 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 87.22s CPU 53.09s WALL ( 661580 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.29s CPU 0.30s WALL ( 726 calls) Parallel routines fft_scatter : 41.08s CPU 24.85s WALL ( 661603 calls) PWSCF : 3m55.19s CPU 2m35.49s WALL This run was terminated on: 3:39:20 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. 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