static Version 1.33 mode= 6 temp. broad. (ryd): 2.000000000000000E-003 eigenvalue cutoff = 5.00000000000000 Non-Orthogonal Basis Functions Spin-restricted calculation Cutoff parameters: 1 16.50000 0.50000 1 0.1224950811E+01 2 0.1713771564E+00 3 0.8377036844E+01 4 -0.1773739745E+02 5 0.0000000000E+00 6 0.6050466035E+00 7 0.1233155422E+02 8 0.2003924023E+02 9 0.0000000000E+00 10 0.4324324795E-02 11 0.8545687876E-01 12 -0.5987280173E+00 13 0.0000000000E+00 14 0.4324324795E-02 15 0.8545687876E-01 16 -0.5987280173E+00 17 0.0000000000E+00 18 -0.3022453668E+01 19 0.2821923244E+00 20 0.0000000000E+00 21 0.7533999914E+00 22 0.2462164550E+01 23 -0.6724620908E-01 24 0.0000000000E+00 25 0.7935584820E+00 26 -0.1526774100E+02 27 0.4550948575E+01 28 0.0000000000E+00 29 0.8986002477E+00 30 -0.4242377992E+03 31 -0.2338075734E+03 32 0.0000000000E+00 33 0.1611531210E+01 34 -0.1129081259E+01 35 0.9414540342E-01 36 0.0000000000E+00 37 0.7065030089E+00 38 0.3723167731E+01 39 -0.1489712595E+01 40 0.0000000000E+00 41 0.9000559150E+00 42 0.2762949501E+01 43 0.1877991021E+00 44 0.0000000000E+00 45 0.1029925400E+01 46 -0.2833143796E+01 47 -0.6412091769E+00 48 0.0000000000E+00 49 0.9786154805E+00 50 0.9654035798E+01 51 -0.8327727601E+00 52 0.0000000000E+00 53 0.1016118525E+01 54 0.2597200227E+02 55 -0.1388366821E+02 56 0.0000000000E+00 57 0.1360485337E+01 58 0.5197507590E+01 59 -0.1812886390E+00 60 0.0000000000E+00 61 0.8604258036E+00 62 -0.2287012330E+01 63 -0.1613250395E+00 64 0.0000000000E+00 65 0.7743829585E+00 66 -0.3789809125E+01 67 -0.5154240273E+00 68 0.0000000000E+00 69 0.9063809854E+00 70 -0.5782103041E+04 71 0.1257262709E+04 72 0.0000000000E+00 73 0.1365375023E+01 74 0.2875889404E+00 75 0.3257189840E-01 76 0.0000000000E+00 77 0.7241684735E+00 78 -0.1243239834E+02 79 0.1905444683E+01 80 0.0000000000E+00 81 0.9526082747E+00 82 -0.1793726836E+01 83 0.2672715434E+00 84 0.0000000000E+00 85 0.7565934144E+00 86 0.1431641240E+02 87 -0.2475566836E+01 88 0.0000000000E+00 89 0.9446674547E+00 90 -0.7847617578E+01 91 0.2940624282E+00 92 0.0000000000E+00 93 0.1047160786E+01 94 0.5034158741E+02 95 -0.7804653479E+01 96 0.0000000000E+00 97 0.1159499462E+01 ------------------------------- structure 1 Silver FCC (A1) Band structure 0.000000000000000E+000 electrons above nominal charge Lattice type 1 fcc lattice a = 7.58000 Elastic strain field 0 1 atoms in the calculation 1 KINDS 1 TOTAL ATOMS PRIMITIVE LATTICE VECTOR NO. 1 0.000000 3.790000 3.790000 PRIMITIVE LATTICE VECTOR NO. 2 3.790000 0.000000 3.790000 PRIMITIVE LATTICE VECTOR NO. 3 3.790000 3.790000 0.000000 DISPLACEMENT INDICES 4 4 4 9 BASIS FUNCTIONS ON ATOM KIND 1 Volume= 108.879878000000 ****************************************************************************************** KIND COORDINATES AFTER RESCALING 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 Secular equation size = 9 11.0000000000000 electrons in the calculation ATOM 1 KSK = 0 ATOM ****************************************************************************************** FINAL ATOMIC COORDINATES: 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 Minimum distance this configuration = 5.35986940139403 Number of pairs = 176 VOLUME OF THE UNIT CELL= 108.87987800 PRIMITIVE VECTORS OF THE DIRECT LATTICE: 0.000000 3.790000 3.790000 3.790000 0.000000 3.790000 3.790000 3.790000 0.000000 PRIMITIVE VECTORS OF THE RECIPROCAL LATTICE: -0.828916 0.828916 0.828916 0.828916 -0.828916 0.828916 0.828916 0.828916 -0.828916 RECIPROCAL SPACE METRIC: 0.20613065D+01 -0.68710218D+00 -0.68710218D+00 -0.68710218D+00 0.20613065D+01 -0.68710218D+00 -0.68710218D+00 -0.68710218D+00 0.20613065D+01 ON INPUT: THE ROTATION MATRICES ARE IN CARTESIAN COORDINATES NUMBER OF K-POINTS= 360 BVEC CORD WT CARTESIAN CORD ( 0.00000 0.00000 0.00000 ) 360.00000000 ( 0.00000 0.00000 0.00000 ) ( 0.00633 0.00000 0.00633 ) 360.00000000 ( 0.00000 0.01049 0.00000 ) ( 0.01266 0.00000 0.01266 ) 360.00000000 ( 0.00000 0.02099 0.00000 ) ( 0.01899 0.00000 0.01899 ) 360.00000000 ( 0.00000 0.03148 0.00000 ) ( 0.02532 0.00000 0.02532 ) 360.00000000 ( 0.00000 0.04197 0.00000 ) ( 0.03165 0.00000 0.03165 ) 360.00000000 ( 0.00000 0.05246 0.00000 ) ( 0.03797 0.00000 0.03797 ) 360.00000000 ( 0.00000 0.06296 0.00000 ) ( 0.04430 0.00000 0.04430 ) 360.00000000 ( 0.00000 0.07345 0.00000 ) ( 0.05063 0.00000 0.05063 ) 360.00000000 ( 0.00000 0.08394 0.00000 ) ( 0.05696 0.00000 0.05696 ) 360.00000000 ( 0.00000 0.09443 0.00000 ) ( 0.06329 0.00000 0.06329 ) 360.00000000 ( 0.00000 0.10493 0.00000 ) ( 0.06962 0.00000 0.06962 ) 360.00000000 ( 0.00000 0.11542 0.00000 ) ( 0.07595 0.00000 0.07595 ) 360.00000000 ( 0.00000 0.12591 0.00000 ) ( 0.08228 0.00000 0.08228 ) 360.00000000 ( 0.00000 0.13640 0.00000 ) ( 0.08861 0.00000 0.08861 ) 360.00000000 ( 0.00000 0.14690 0.00000 ) ( 0.09494 0.00000 0.09494 ) 360.00000000 ( 0.00000 0.15739 0.00000 ) ( 0.10127 0.00000 0.10127 ) 360.00000000 ( 0.00000 0.16788 0.00000 ) ( 0.10759 0.00000 0.10759 ) 360.00000000 ( 0.00000 0.17837 0.00000 ) ( 0.11392 0.00000 0.11392 ) 360.00000000 ( 0.00000 0.18887 0.00000 ) ( 0.12025 0.00000 0.12025 ) 360.00000000 ( 0.00000 0.19936 0.00000 ) ( 0.12658 0.00000 0.12658 ) 360.00000000 ( 0.00000 0.20985 0.00000 ) ( 0.13291 0.00000 0.13291 ) 360.00000000 ( 0.00000 0.22034 0.00000 ) ( 0.13924 0.00000 0.13924 ) 360.00000000 ( 0.00000 0.23084 0.00000 ) ( 0.14557 0.00000 0.14557 ) 360.00000000 ( 0.00000 0.24133 0.00000 ) ( 0.15190 0.00000 0.15190 ) 360.00000000 ( 0.00000 0.25182 0.00000 ) ( 0.15823 0.00000 0.15823 ) 360.00000000 ( 0.00000 0.26232 0.00000 ) ( 0.16456 0.00000 0.16456 ) 360.00000000 ( 0.00000 0.27281 0.00000 ) ( 0.17089 0.00000 0.17089 ) 360.00000000 ( 0.00000 0.28330 0.00000 ) ( 0.17722 0.00000 0.17722 ) 360.00000000 ( 0.00000 0.29379 0.00000 ) ( 0.18354 0.00000 0.18354 ) 360.00000000 ( 0.00000 0.30429 0.00000 ) ( 0.18987 0.00000 0.18987 ) 360.00000000 ( 0.00000 0.31478 0.00000 ) ( 0.19620 0.00000 0.19620 ) 360.00000000 ( 0.00000 0.32527 0.00000 ) ( 0.20253 0.00000 0.20253 ) 360.00000000 ( 0.00000 0.33576 0.00000 ) ( 0.20886 0.00000 0.20886 ) 360.00000000 ( 0.00000 0.34626 0.00000 ) ( 0.21519 0.00000 0.21519 ) 360.00000000 ( 0.00000 0.35675 0.00000 ) ( 0.22152 0.00000 0.22152 ) 360.00000000 ( 0.00000 0.36724 0.00000 ) ( 0.22785 0.00000 0.22785 ) 360.00000000 ( 0.00000 0.37773 0.00000 ) ( 0.23418 0.00000 0.23418 ) 360.00000000 ( 0.00000 0.38823 0.00000 ) ( 0.24051 0.00000 0.24051 ) 360.00000000 ( 0.00000 0.39872 0.00000 ) ( 0.24684 0.00000 0.24684 ) 360.00000000 ( 0.00000 0.40921 0.00000 ) ( 0.25316 0.00000 0.25316 ) 360.00000000 ( 0.00000 0.41970 0.00000 ) ( 0.25949 0.00000 0.25949 ) 360.00000000 ( 0.00000 0.43020 0.00000 ) ( 0.26582 0.00000 0.26582 ) 360.00000000 ( 0.00000 0.44069 0.00000 ) ( 0.27215 0.00000 0.27215 ) 360.00000000 ( 0.00000 0.45118 0.00000 ) ( 0.27848 0.00000 0.27848 ) 360.00000000 ( 0.00000 0.46167 0.00000 ) ( 0.28481 0.00000 0.28481 ) 360.00000000 ( 0.00000 0.47217 0.00000 ) ( 0.29114 0.00000 0.29114 ) 360.00000000 ( 0.00000 0.48266 0.00000 ) ( 0.29747 0.00000 0.29747 ) 360.00000000 ( 0.00000 0.49315 0.00000 ) ( 0.30380 0.00000 0.30380 ) 360.00000000 ( 0.00000 0.50365 0.00000 ) ( 0.31013 0.00000 0.31013 ) 360.00000000 ( 0.00000 0.51414 0.00000 ) ( 0.31646 0.00000 0.31646 ) 360.00000000 ( 0.00000 0.52463 0.00000 ) ( 0.32278 0.00000 0.32278 ) 360.00000000 ( 0.00000 0.53512 0.00000 ) ( 0.32911 0.00000 0.32911 ) 360.00000000 ( 0.00000 0.54562 0.00000 ) ( 0.33544 0.00000 0.33544 ) 360.00000000 ( 0.00000 0.55611 0.00000 ) ( 0.34177 0.00000 0.34177 ) 360.00000000 ( 0.00000 0.56660 0.00000 ) ( 0.34810 0.00000 0.34810 ) 360.00000000 ( 0.00000 0.57709 0.00000 ) ( 0.35443 0.00000 0.35443 ) 360.00000000 ( 0.00000 0.58759 0.00000 ) ( 0.36076 0.00000 0.36076 ) 360.00000000 ( 0.00000 0.59808 0.00000 ) ( 0.36709 0.00000 0.36709 ) 360.00000000 ( 0.00000 0.60857 0.00000 ) ( 0.37342 0.00000 0.37342 ) 360.00000000 ( 0.00000 0.61906 0.00000 ) ( 0.37975 0.00000 0.37975 ) 360.00000000 ( 0.00000 0.62956 0.00000 ) ( 0.38608 0.00000 0.38608 ) 360.00000000 ( 0.00000 0.64005 0.00000 ) ( 0.39241 0.00000 0.39241 ) 360.00000000 ( 0.00000 0.65054 0.00000 ) ( 0.39873 0.00000 0.39873 ) 360.00000000 ( 0.00000 0.66103 0.00000 ) ( 0.40506 0.00000 0.40506 ) 360.00000000 ( 0.00000 0.67153 0.00000 ) ( 0.41139 0.00000 0.41139 ) 360.00000000 ( 0.00000 0.68202 0.00000 ) ( 0.41772 0.00000 0.41772 ) 360.00000000 ( 0.00000 0.69251 0.00000 ) ( 0.42405 0.00000 0.42405 ) 360.00000000 ( 0.00000 0.70300 0.00000 ) ( 0.43038 0.00000 0.43038 ) 360.00000000 ( 0.00000 0.71350 0.00000 ) ( 0.43671 0.00000 0.43671 ) 360.00000000 ( 0.00000 0.72399 0.00000 ) ( 0.44304 0.00000 0.44304 ) 360.00000000 ( 0.00000 0.73448 0.00000 ) ( 0.44937 0.00000 0.44937 ) 360.00000000 ( 0.00000 0.74498 0.00000 ) ( 0.45570 0.00000 0.45570 ) 360.00000000 ( 0.00000 0.75547 0.00000 ) ( 0.46203 0.00000 0.46203 ) 360.00000000 ( 0.00000 0.76596 0.00000 ) ( 0.46835 0.00000 0.46835 ) 360.00000000 ( 0.00000 0.77645 0.00000 ) ( 0.47468 0.00000 0.47468 ) 360.00000000 ( 0.00000 0.78695 0.00000 ) ( 0.48101 0.00000 0.48101 ) 360.00000000 ( 0.00000 0.79744 0.00000 ) ( 0.48734 0.00000 0.48734 ) 360.00000000 ( 0.00000 0.80793 0.00000 ) ( 0.49367 0.00000 0.49367 ) 360.00000000 ( 0.00000 0.81842 0.00000 ) ( 0.50000 0.00000 0.50000 ) 360.00000000 ( 0.00000 0.82892 0.00000 ) ( 0.50000 0.00000 0.50000 ) 360.00000000 ( 0.00000 0.82892 0.00000 ) ( 0.50000 0.00641 0.50641 ) 360.00000000 ( 0.01063 0.82892 0.00000 ) ( 0.50000 0.01282 0.51282 ) 360.00000000 ( 0.02125 0.82892 0.00000 ) ( 0.50000 0.01923 0.51923 ) 360.00000000 ( 0.03188 0.82892 0.00000 ) ( 0.50000 0.02564 0.52564 ) 360.00000000 ( 0.04251 0.82892 0.00000 ) ( 0.50000 0.03205 0.53205 ) 360.00000000 ( 0.05314 0.82892 0.00000 ) ( 0.50000 0.03846 0.53846 ) 360.00000000 ( 0.06376 0.82892 0.00000 ) ( 0.50000 0.04487 0.54487 ) 360.00000000 ( 0.07439 0.82892 0.00000 ) ( 0.50000 0.05128 0.55128 ) 360.00000000 ( 0.08502 0.82892 0.00000 ) ( 0.50000 0.05769 0.55769 ) 360.00000000 ( 0.09564 0.82892 0.00000 ) ( 0.50000 0.06410 0.56410 ) 360.00000000 ( 0.10627 0.82892 0.00000 ) ( 0.50000 0.07051 0.57051 ) 360.00000000 ( 0.11690 0.82892 0.00000 ) ( 0.50000 0.07692 0.57692 ) 360.00000000 ( 0.12753 0.82892 0.00000 ) ( 0.50000 0.08333 0.58333 ) 360.00000000 ( 0.13815 0.82892 0.00000 ) ( 0.50000 0.08974 0.58974 ) 360.00000000 ( 0.14878 0.82892 0.00000 ) ( 0.50000 0.09615 0.59615 ) 360.00000000 ( 0.15941 0.82892 0.00000 ) ( 0.50000 0.10256 0.60256 ) 360.00000000 ( 0.17003 0.82892 0.00000 ) ( 0.50000 0.10897 0.60897 ) 360.00000000 ( 0.18066 0.82892 0.00000 ) ( 0.50000 0.11538 0.61538 ) 360.00000000 ( 0.19129 0.82892 0.00000 ) ( 0.50000 0.12179 0.62179 ) 360.00000000 ( 0.20192 0.82892 0.00000 ) ( 0.50000 0.12821 0.62821 ) 360.00000000 ( 0.21254 0.82892 0.00000 ) ( 0.50000 0.13462 0.63462 ) 360.00000000 ( 0.22317 0.82892 0.00000 ) ( 0.50000 0.14103 0.64103 ) 360.00000000 ( 0.23380 0.82892 0.00000 ) ( 0.50000 0.14744 0.64744 ) 360.00000000 ( 0.24442 0.82892 0.00000 ) ( 0.50000 0.15385 0.65385 ) 360.00000000 ( 0.25505 0.82892 0.00000 ) ( 0.50000 0.16026 0.66026 ) 360.00000000 ( 0.26568 0.82892 0.00000 ) ( 0.50000 0.16667 0.66667 ) 360.00000000 ( 0.27631 0.82892 0.00000 ) ( 0.50000 0.17308 0.67308 ) 360.00000000 ( 0.28693 0.82892 0.00000 ) ( 0.50000 0.17949 0.67949 ) 360.00000000 ( 0.29756 0.82892 0.00000 ) ( 0.50000 0.18590 0.68590 ) 360.00000000 ( 0.30819 0.82892 0.00000 ) ( 0.50000 0.19231 0.69231 ) 360.00000000 ( 0.31881 0.82892 0.00000 ) ( 0.50000 0.19872 0.69872 ) 360.00000000 ( 0.32944 0.82892 0.00000 ) ( 0.50000 0.20513 0.70513 ) 360.00000000 ( 0.34007 0.82892 0.00000 ) ( 0.50000 0.21154 0.71154 ) 360.00000000 ( 0.35070 0.82892 0.00000 ) ( 0.50000 0.21795 0.71795 ) 360.00000000 ( 0.36132 0.82892 0.00000 ) ( 0.50000 0.22436 0.72436 ) 360.00000000 ( 0.37195 0.82892 0.00000 ) ( 0.50000 0.23077 0.73077 ) 360.00000000 ( 0.38258 0.82892 0.00000 ) ( 0.50000 0.23718 0.73718 ) 360.00000000 ( 0.39320 0.82892 0.00000 ) ( 0.50000 0.24359 0.74359 ) 360.00000000 ( 0.40383 0.82892 0.00000 ) ( 0.50000 0.25000 0.75000 ) 360.00000000 ( 0.41446 0.82892 0.00000 ) ( 0.50000 0.25000 0.75000 ) 360.00000000 ( 0.41446 0.82892 0.00000 ) ( 0.50000 0.25316 0.74684 ) 360.00000000 ( 0.41446 0.82367 0.00525 ) ( 0.50000 0.25633 0.74367 ) 360.00000000 ( 0.41446 0.81842 0.01049 ) ( 0.50000 0.25949 0.74051 ) 360.00000000 ( 0.41446 0.81318 0.01574 ) ( 0.50000 0.26266 0.73734 ) 360.00000000 ( 0.41446 0.80793 0.02099 ) ( 0.50000 0.26582 0.73418 ) 360.00000000 ( 0.41446 0.80268 0.02623 ) ( 0.50000 0.26899 0.73101 ) 360.00000000 ( 0.41446 0.79744 0.03148 ) ( 0.50000 0.27215 0.72785 ) 360.00000000 ( 0.41446 0.79219 0.03672 ) ( 0.50000 0.27532 0.72468 ) 360.00000000 ( 0.41446 0.78695 0.04197 ) ( 0.50000 0.27848 0.72152 ) 360.00000000 ( 0.41446 0.78170 0.04722 ) ( 0.50000 0.28165 0.71835 ) 360.00000000 ( 0.41446 0.77645 0.05246 ) ( 0.50000 0.28481 0.71519 ) 360.00000000 ( 0.41446 0.77121 0.05771 ) ( 0.50000 0.28797 0.71203 ) 360.00000000 ( 0.41446 0.76596 0.06296 ) ( 0.50000 0.29114 0.70886 ) 360.00000000 ( 0.41446 0.76071 0.06820 ) ( 0.50000 0.29430 0.70570 ) 360.00000000 ( 0.41446 0.75547 0.07345 ) ( 0.50000 0.29747 0.70253 ) 360.00000000 ( 0.41446 0.75022 0.07869 ) ( 0.50000 0.30063 0.69937 ) 360.00000000 ( 0.41446 0.74498 0.08394 ) ( 0.50000 0.30380 0.69620 ) 360.00000000 ( 0.41446 0.73973 0.08919 ) ( 0.50000 0.30696 0.69304 ) 360.00000000 ( 0.41446 0.73448 0.09443 ) ( 0.50000 0.31013 0.68987 ) 360.00000000 ( 0.41446 0.72924 0.09968 ) ( 0.50000 0.31329 0.68671 ) 360.00000000 ( 0.41446 0.72399 0.10493 ) ( 0.50000 0.31646 0.68354 ) 360.00000000 ( 0.41446 0.71874 0.11017 ) ( 0.50000 0.31962 0.68038 ) 360.00000000 ( 0.41446 0.71350 0.11542 ) ( 0.50000 0.32278 0.67722 ) 360.00000000 ( 0.41446 0.70825 0.12067 ) ( 0.50000 0.32595 0.67405 ) 360.00000000 ( 0.41446 0.70300 0.12591 ) ( 0.50000 0.32911 0.67089 ) 360.00000000 ( 0.41446 0.69776 0.13116 ) ( 0.50000 0.33228 0.66772 ) 360.00000000 ( 0.41446 0.69251 0.13640 ) ( 0.50000 0.33544 0.66456 ) 360.00000000 ( 0.41446 0.68727 0.14165 ) ( 0.50000 0.33861 0.66139 ) 360.00000000 ( 0.41446 0.68202 0.14690 ) ( 0.50000 0.34177 0.65823 ) 360.00000000 ( 0.41446 0.67677 0.15214 ) ( 0.50000 0.34494 0.65506 ) 360.00000000 ( 0.41446 0.67153 0.15739 ) ( 0.50000 0.34810 0.65190 ) 360.00000000 ( 0.41446 0.66628 0.16264 ) ( 0.50000 0.35127 0.64873 ) 360.00000000 ( 0.41446 0.66103 0.16788 ) ( 0.50000 0.35443 0.64557 ) 360.00000000 ( 0.41446 0.65579 0.17313 ) ( 0.50000 0.35759 0.64241 ) 360.00000000 ( 0.41446 0.65054 0.17837 ) ( 0.50000 0.36076 0.63924 ) 360.00000000 ( 0.41446 0.64530 0.18362 ) ( 0.50000 0.36392 0.63608 ) 360.00000000 ( 0.41446 0.64005 0.18887 ) ( 0.50000 0.36709 0.63291 ) 360.00000000 ( 0.41446 0.63480 0.19411 ) ( 0.50000 0.37025 0.62975 ) 360.00000000 ( 0.41446 0.62956 0.19936 ) ( 0.50000 0.37342 0.62658 ) 360.00000000 ( 0.41446 0.62431 0.20461 ) ( 0.50000 0.37658 0.62342 ) 360.00000000 ( 0.41446 0.61906 0.20985 ) ( 0.50000 0.37975 0.62025 ) 360.00000000 ( 0.41446 0.61382 0.21510 ) ( 0.50000 0.38291 0.61709 ) 360.00000000 ( 0.41446 0.60857 0.22034 ) ( 0.50000 0.38608 0.61392 ) 360.00000000 ( 0.41446 0.60333 0.22559 ) ( 0.50000 0.38924 0.61076 ) 360.00000000 ( 0.41446 0.59808 0.23084 ) ( 0.50000 0.39241 0.60759 ) 360.00000000 ( 0.41446 0.59283 0.23608 ) ( 0.50000 0.39557 0.60443 ) 360.00000000 ( 0.41446 0.58759 0.24133 ) ( 0.50000 0.39873 0.60127 ) 360.00000000 ( 0.41446 0.58234 0.24658 ) ( 0.50000 0.40190 0.59810 ) 360.00000000 ( 0.41446 0.57709 0.25182 ) ( 0.50000 0.40506 0.59494 ) 360.00000000 ( 0.41446 0.57185 0.25707 ) ( 0.50000 0.40823 0.59177 ) 360.00000000 ( 0.41446 0.56660 0.26232 ) ( 0.50000 0.41139 0.58861 ) 360.00000000 ( 0.41446 0.56135 0.26756 ) ( 0.50000 0.41456 0.58544 ) 360.00000000 ( 0.41446 0.55611 0.27281 ) ( 0.50000 0.41772 0.58228 ) 360.00000000 ( 0.41446 0.55086 0.27805 ) ( 0.50000 0.42089 0.57911 ) 360.00000000 ( 0.41446 0.54562 0.28330 ) ( 0.50000 0.42405 0.57595 ) 360.00000000 ( 0.41446 0.54037 0.28855 ) ( 0.50000 0.42722 0.57278 ) 360.00000000 ( 0.41446 0.53512 0.29379 ) ( 0.50000 0.43038 0.56962 ) 360.00000000 ( 0.41446 0.52988 0.29904 ) ( 0.50000 0.43354 0.56646 ) 360.00000000 ( 0.41446 0.52463 0.30429 ) ( 0.50000 0.43671 0.56329 ) 360.00000000 ( 0.41446 0.51938 0.30953 ) ( 0.50000 0.43987 0.56013 ) 360.00000000 ( 0.41446 0.51414 0.31478 ) ( 0.50000 0.44304 0.55696 ) 360.00000000 ( 0.41446 0.50889 0.32002 ) ( 0.50000 0.44620 0.55380 ) 360.00000000 ( 0.41446 0.50365 0.32527 ) ( 0.50000 0.44937 0.55063 ) 360.00000000 ( 0.41446 0.49840 0.33052 ) ( 0.50000 0.45253 0.54747 ) 360.00000000 ( 0.41446 0.49315 0.33576 ) ( 0.50000 0.45570 0.54430 ) 360.00000000 ( 0.41446 0.48791 0.34101 ) ( 0.50000 0.45886 0.54114 ) 360.00000000 ( 0.41446 0.48266 0.34626 ) ( 0.50000 0.46203 0.53797 ) 360.00000000 ( 0.41446 0.47741 0.35150 ) ( 0.50000 0.46519 0.53481 ) 360.00000000 ( 0.41446 0.47217 0.35675 ) ( 0.50000 0.46835 0.53165 ) 360.00000000 ( 0.41446 0.46692 0.36200 ) ( 0.50000 0.47152 0.52848 ) 360.00000000 ( 0.41446 0.46167 0.36724 ) ( 0.50000 0.47468 0.52532 ) 360.00000000 ( 0.41446 0.45643 0.37249 ) ( 0.50000 0.47785 0.52215 ) 360.00000000 ( 0.41446 0.45118 0.37773 ) ( 0.50000 0.48101 0.51899 ) 360.00000000 ( 0.41446 0.44594 0.38298 ) ( 0.50000 0.48418 0.51582 ) 360.00000000 ( 0.41446 0.44069 0.38823 ) ( 0.50000 0.48734 0.51266 ) 360.00000000 ( 0.41446 0.43544 0.39347 ) ( 0.50000 0.49051 0.50949 ) 360.00000000 ( 0.41446 0.43020 0.39872 ) ( 0.50000 0.49367 0.50633 ) 360.00000000 ( 0.41446 0.42495 0.40397 ) ( 0.50000 0.49684 0.50316 ) 360.00000000 ( 0.41446 0.41970 0.40921 ) ( 0.50000 0.50000 0.50000 ) 360.00000000 ( 0.41446 0.41446 0.41446 ) ( 0.50000 0.50000 0.50000 ) 360.00000000 ( 0.41446 0.41446 0.41446 ) ( 0.49367 0.49367 0.49367 ) 360.00000000 ( 0.40921 0.40921 0.40921 ) ( 0.48734 0.48734 0.48734 ) 360.00000000 ( 0.40397 0.40397 0.40397 ) ( 0.48101 0.48101 0.48101 ) 360.00000000 ( 0.39872 0.39872 0.39872 ) ( 0.47468 0.47468 0.47468 ) 360.00000000 ( 0.39347 0.39347 0.39347 ) ( 0.46835 0.46835 0.46835 ) 360.00000000 ( 0.38823 0.38823 0.38823 ) ( 0.46203 0.46203 0.46203 ) 360.00000000 ( 0.38298 0.38298 0.38298 ) ( 0.45570 0.45570 0.45570 ) 360.00000000 ( 0.37773 0.37773 0.37773 ) ( 0.44937 0.44937 0.44937 ) 360.00000000 ( 0.37249 0.37249 0.37249 ) ( 0.44304 0.44304 0.44304 ) 360.00000000 ( 0.36724 0.36724 0.36724 ) ( 0.43671 0.43671 0.43671 ) 360.00000000 ( 0.36200 0.36200 0.36200 ) ( 0.43038 0.43038 0.43038 ) 360.00000000 ( 0.35675 0.35675 0.35675 ) ( 0.42405 0.42405 0.42405 ) 360.00000000 ( 0.35150 0.35150 0.35150 ) ( 0.41772 0.41772 0.41772 ) 360.00000000 ( 0.34626 0.34626 0.34626 ) ( 0.41139 0.41139 0.41139 ) 360.00000000 ( 0.34101 0.34101 0.34101 ) ( 0.40506 0.40506 0.40506 ) 360.00000000 ( 0.33576 0.33576 0.33576 ) ( 0.39873 0.39873 0.39873 ) 360.00000000 ( 0.33052 0.33052 0.33052 ) ( 0.39241 0.39241 0.39241 ) 360.00000000 ( 0.32527 0.32527 0.32527 ) ( 0.38608 0.38608 0.38608 ) 360.00000000 ( 0.32002 0.32002 0.32002 ) ( 0.37975 0.37975 0.37975 ) 360.00000000 ( 0.31478 0.31478 0.31478 ) ( 0.37342 0.37342 0.37342 ) 360.00000000 ( 0.30953 0.30953 0.30953 ) ( 0.36709 0.36709 0.36709 ) 360.00000000 ( 0.30429 0.30429 0.30429 ) ( 0.36076 0.36076 0.36076 ) 360.00000000 ( 0.29904 0.29904 0.29904 ) ( 0.35443 0.35443 0.35443 ) 360.00000000 ( 0.29379 0.29379 0.29379 ) ( 0.34810 0.34810 0.34810 ) 360.00000000 ( 0.28855 0.28855 0.28855 ) ( 0.34177 0.34177 0.34177 ) 360.00000000 ( 0.28330 0.28330 0.28330 ) ( 0.33544 0.33544 0.33544 ) 360.00000000 ( 0.27805 0.27805 0.27805 ) ( 0.32911 0.32911 0.32911 ) 360.00000000 ( 0.27281 0.27281 0.27281 ) ( 0.32278 0.32278 0.32278 ) 360.00000000 ( 0.26756 0.26756 0.26756 ) ( 0.31646 0.31646 0.31646 ) 360.00000000 ( 0.26232 0.26232 0.26232 ) ( 0.31013 0.31013 0.31013 ) 360.00000000 ( 0.25707 0.25707 0.25707 ) ( 0.30380 0.30380 0.30380 ) 360.00000000 ( 0.25182 0.25182 0.25182 ) ( 0.29747 0.29747 0.29747 ) 360.00000000 ( 0.24658 0.24658 0.24658 ) ( 0.29114 0.29114 0.29114 ) 360.00000000 ( 0.24133 0.24133 0.24133 ) ( 0.28481 0.28481 0.28481 ) 360.00000000 ( 0.23608 0.23608 0.23608 ) ( 0.27848 0.27848 0.27848 ) 360.00000000 ( 0.23084 0.23084 0.23084 ) ( 0.27215 0.27215 0.27215 ) 360.00000000 ( 0.22559 0.22559 0.22559 ) ( 0.26582 0.26582 0.26582 ) 360.00000000 ( 0.22034 0.22034 0.22034 ) ( 0.25949 0.25949 0.25949 ) 360.00000000 ( 0.21510 0.21510 0.21510 ) ( 0.25316 0.25316 0.25316 ) 360.00000000 ( 0.20985 0.20985 0.20985 ) ( 0.24684 0.24684 0.24684 ) 360.00000000 ( 0.20461 0.20461 0.20461 ) ( 0.24051 0.24051 0.24051 ) 360.00000000 ( 0.19936 0.19936 0.19936 ) ( 0.23418 0.23418 0.23418 ) 360.00000000 ( 0.19411 0.19411 0.19411 ) ( 0.22785 0.22785 0.22785 ) 360.00000000 ( 0.18887 0.18887 0.18887 ) ( 0.22152 0.22152 0.22152 ) 360.00000000 ( 0.18362 0.18362 0.18362 ) ( 0.21519 0.21519 0.21519 ) 360.00000000 ( 0.17837 0.17837 0.17837 ) ( 0.20886 0.20886 0.20886 ) 360.00000000 ( 0.17313 0.17313 0.17313 ) ( 0.20253 0.20253 0.20253 ) 360.00000000 ( 0.16788 0.16788 0.16788 ) ( 0.19620 0.19620 0.19620 ) 360.00000000 ( 0.16264 0.16264 0.16264 ) ( 0.18987 0.18987 0.18987 ) 360.00000000 ( 0.15739 0.15739 0.15739 ) ( 0.18354 0.18354 0.18354 ) 360.00000000 ( 0.15214 0.15214 0.15214 ) ( 0.17722 0.17722 0.17722 ) 360.00000000 ( 0.14690 0.14690 0.14690 ) ( 0.17089 0.17089 0.17089 ) 360.00000000 ( 0.14165 0.14165 0.14165 ) ( 0.16456 0.16456 0.16456 ) 360.00000000 ( 0.13640 0.13640 0.13640 ) ( 0.15823 0.15823 0.15823 ) 360.00000000 ( 0.13116 0.13116 0.13116 ) ( 0.15190 0.15190 0.15190 ) 360.00000000 ( 0.12591 0.12591 0.12591 ) ( 0.14557 0.14557 0.14557 ) 360.00000000 ( 0.12067 0.12067 0.12067 ) ( 0.13924 0.13924 0.13924 ) 360.00000000 ( 0.11542 0.11542 0.11542 ) ( 0.13291 0.13291 0.13291 ) 360.00000000 ( 0.11017 0.11017 0.11017 ) ( 0.12658 0.12658 0.12658 ) 360.00000000 ( 0.10493 0.10493 0.10493 ) ( 0.12025 0.12025 0.12025 ) 360.00000000 ( 0.09968 0.09968 0.09968 ) ( 0.11392 0.11392 0.11392 ) 360.00000000 ( 0.09443 0.09443 0.09443 ) ( 0.10759 0.10759 0.10759 ) 360.00000000 ( 0.08919 0.08919 0.08919 ) ( 0.10127 0.10127 0.10127 ) 360.00000000 ( 0.08394 0.08394 0.08394 ) ( 0.09494 0.09494 0.09494 ) 360.00000000 ( 0.07869 0.07869 0.07869 ) ( 0.08861 0.08861 0.08861 ) 360.00000000 ( 0.07345 0.07345 0.07345 ) ( 0.08228 0.08228 0.08228 ) 360.00000000 ( 0.06820 0.06820 0.06820 ) ( 0.07595 0.07595 0.07595 ) 360.00000000 ( 0.06296 0.06296 0.06296 ) ( 0.06962 0.06962 0.06962 ) 360.00000000 ( 0.05771 0.05771 0.05771 ) ( 0.06329 0.06329 0.06329 ) 360.00000000 ( 0.05246 0.05246 0.05246 ) ( 0.05696 0.05696 0.05696 ) 360.00000000 ( 0.04722 0.04722 0.04722 ) ( 0.05063 0.05063 0.05063 ) 360.00000000 ( 0.04197 0.04197 0.04197 ) ( 0.04430 0.04430 0.04430 ) 360.00000000 ( 0.03672 0.03672 0.03672 ) ( 0.03797 0.03797 0.03797 ) 360.00000000 ( 0.03148 0.03148 0.03148 ) ( 0.03165 0.03165 0.03165 ) 360.00000000 ( 0.02623 0.02623 0.02623 ) ( 0.02532 0.02532 0.02532 ) 360.00000000 ( 0.02099 0.02099 0.02099 ) ( 0.01899 0.01899 0.01899 ) 360.00000000 ( 0.01574 0.01574 0.01574 ) ( 0.01266 0.01266 0.01266 ) 360.00000000 ( 0.01049 0.01049 0.01049 ) ( 0.00633 0.00633 0.00633 ) 360.00000000 ( 0.00525 0.00525 0.00525 ) ( 0.00000 0.00000 0.00000 ) 360.00000000 ( 0.00000 0.00000 0.00000 ) ( 0.00000 0.00000 0.00000 ) 360.00000000 ( 0.00000 0.00000 0.00000 ) ( 0.00475 0.00475 0.00949 ) 360.00000000 ( 0.00787 0.00787 0.00000 ) ( 0.00949 0.00949 0.01899 ) 360.00000000 ( 0.01574 0.01574 0.00000 ) ( 0.01424 0.01424 0.02848 ) 360.00000000 ( 0.02361 0.02361 0.00000 ) ( 0.01899 0.01899 0.03797 ) 360.00000000 ( 0.03148 0.03148 0.00000 ) ( 0.02373 0.02373 0.04747 ) 360.00000000 ( 0.03935 0.03935 0.00000 ) ( 0.02848 0.02848 0.05696 ) 360.00000000 ( 0.04722 0.04722 0.00000 ) ( 0.03323 0.03323 0.06646 ) 360.00000000 ( 0.05509 0.05509 0.00000 ) ( 0.03797 0.03797 0.07595 ) 360.00000000 ( 0.06296 0.06296 0.00000 ) ( 0.04272 0.04272 0.08544 ) 360.00000000 ( 0.07083 0.07083 0.00000 ) ( 0.04747 0.04747 0.09494 ) 360.00000000 ( 0.07869 0.07869 0.00000 ) ( 0.05222 0.05222 0.10443 ) 360.00000000 ( 0.08656 0.08656 0.00000 ) ( 0.05696 0.05696 0.11392 ) 360.00000000 ( 0.09443 0.09443 0.00000 ) ( 0.06171 0.06171 0.12342 ) 360.00000000 ( 0.10230 0.10230 0.00000 ) ( 0.06646 0.06646 0.13291 ) 360.00000000 ( 0.11017 0.11017 0.00000 ) ( 0.07120 0.07120 0.14241 ) 360.00000000 ( 0.11804 0.11804 0.00000 ) ( 0.07595 0.07595 0.15190 ) 360.00000000 ( 0.12591 0.12591 0.00000 ) ( 0.08070 0.08070 0.16139 ) 360.00000000 ( 0.13378 0.13378 0.00000 ) ( 0.08544 0.08544 0.17089 ) 360.00000000 ( 0.14165 0.14165 0.00000 ) ( 0.09019 0.09019 0.18038 ) 360.00000000 ( 0.14952 0.14952 0.00000 ) ( 0.09494 0.09494 0.18987 ) 360.00000000 ( 0.15739 0.15739 0.00000 ) ( 0.09968 0.09968 0.19937 ) 360.00000000 ( 0.16526 0.16526 0.00000 ) ( 0.10443 0.10443 0.20886 ) 360.00000000 ( 0.17313 0.17313 0.00000 ) ( 0.10918 0.10918 0.21835 ) 360.00000000 ( 0.18100 0.18100 0.00000 ) ( 0.11392 0.11392 0.22785 ) 360.00000000 ( 0.18887 0.18887 0.00000 ) ( 0.11867 0.11867 0.23734 ) 360.00000000 ( 0.19674 0.19674 0.00000 ) ( 0.12342 0.12342 0.24684 ) 360.00000000 ( 0.20461 0.20461 0.00000 ) ( 0.12816 0.12816 0.25633 ) 360.00000000 ( 0.21248 0.21248 0.00000 ) ( 0.13291 0.13291 0.26582 ) 360.00000000 ( 0.22034 0.22034 0.00000 ) ( 0.13766 0.13766 0.27532 ) 360.00000000 ( 0.22821 0.22821 0.00000 ) ( 0.14241 0.14241 0.28481 ) 360.00000000 ( 0.23608 0.23608 0.00000 ) ( 0.14715 0.14715 0.29430 ) 360.00000000 ( 0.24395 0.24395 0.00000 ) ( 0.15190 0.15190 0.30380 ) 360.00000000 ( 0.25182 0.25182 0.00000 ) ( 0.15665 0.15665 0.31329 ) 360.00000000 ( 0.25969 0.25969 0.00000 ) ( 0.16139 0.16139 0.32278 ) 360.00000000 ( 0.26756 0.26756 0.00000 ) ( 0.16614 0.16614 0.33228 ) 360.00000000 ( 0.27543 0.27543 0.00000 ) ( 0.17089 0.17089 0.34177 ) 360.00000000 ( 0.28330 0.28330 0.00000 ) ( 0.17563 0.17563 0.35127 ) 360.00000000 ( 0.29117 0.29117 0.00000 ) ( 0.18038 0.18038 0.36076 ) 360.00000000 ( 0.29904 0.29904 0.00000 ) ( 0.18513 0.18513 0.37025 ) 360.00000000 ( 0.30691 0.30691 0.00000 ) ( 0.18987 0.18987 0.37975 ) 360.00000000 ( 0.31478 0.31478 0.00000 ) ( 0.19462 0.19462 0.38924 ) 360.00000000 ( 0.32265 0.32265 0.00000 ) ( 0.19937 0.19937 0.39873 ) 360.00000000 ( 0.33052 0.33052 0.00000 ) ( 0.20411 0.20411 0.40823 ) 360.00000000 ( 0.33839 0.33839 0.00000 ) ( 0.20886 0.20886 0.41772 ) 360.00000000 ( 0.34626 0.34626 0.00000 ) ( 0.21361 0.21361 0.42722 ) 360.00000000 ( 0.35413 0.35413 0.00000 ) ( 0.21835 0.21835 0.43671 ) 360.00000000 ( 0.36200 0.36200 0.00000 ) ( 0.22310 0.22310 0.44620 ) 360.00000000 ( 0.36986 0.36986 0.00000 ) ( 0.22785 0.22785 0.45570 ) 360.00000000 ( 0.37773 0.37773 0.00000 ) ( 0.23259 0.23259 0.46519 ) 360.00000000 ( 0.38560 0.38560 0.00000 ) ( 0.23734 0.23734 0.47468 ) 360.00000000 ( 0.39347 0.39347 0.00000 ) ( 0.24209 0.24209 0.48418 ) 360.00000000 ( 0.40134 0.40134 0.00000 ) ( 0.24684 0.24684 0.49367 ) 360.00000000 ( 0.40921 0.40921 0.00000 ) ( 0.25158 0.25158 0.50316 ) 360.00000000 ( 0.41708 0.41708 0.00000 ) ( 0.25633 0.25633 0.51266 ) 360.00000000 ( 0.42495 0.42495 0.00000 ) ( 0.26108 0.26108 0.52215 ) 360.00000000 ( 0.43282 0.43282 0.00000 ) ( 0.26582 0.26582 0.53165 ) 360.00000000 ( 0.44069 0.44069 0.00000 ) ( 0.27057 0.27057 0.54114 ) 360.00000000 ( 0.44856 0.44856 0.00000 ) ( 0.27532 0.27532 0.55063 ) 360.00000000 ( 0.45643 0.45643 0.00000 ) ( 0.28006 0.28006 0.56013 ) 360.00000000 ( 0.46430 0.46430 0.00000 ) ( 0.28481 0.28481 0.56962 ) 360.00000000 ( 0.47217 0.47217 0.00000 ) ( 0.28956 0.28956 0.57911 ) 360.00000000 ( 0.48004 0.48004 0.00000 ) ( 0.29430 0.29430 0.58861 ) 360.00000000 ( 0.48791 0.48791 0.00000 ) ( 0.29905 0.29905 0.59810 ) 360.00000000 ( 0.49578 0.49578 0.00000 ) ( 0.30380 0.30380 0.60759 ) 360.00000000 ( 0.50365 0.50365 0.00000 ) ( 0.30854 0.30854 0.61709 ) 360.00000000 ( 0.51151 0.51151 0.00000 ) ( 0.31329 0.31329 0.62658 ) 360.00000000 ( 0.51938 0.51938 0.00000 ) ( 0.31804 0.31804 0.63608 ) 360.00000000 ( 0.52725 0.52725 0.00000 ) ( 0.32278 0.32278 0.64557 ) 360.00000000 ( 0.53512 0.53512 0.00000 ) ( 0.32753 0.32753 0.65506 ) 360.00000000 ( 0.54299 0.54299 0.00000 ) ( 0.33228 0.33228 0.66456 ) 360.00000000 ( 0.55086 0.55086 0.00000 ) ( 0.33703 0.33703 0.67405 ) 360.00000000 ( 0.55873 0.55873 0.00000 ) ( 0.34177 0.34177 0.68354 ) 360.00000000 ( 0.56660 0.56660 0.00000 ) ( 0.34652 0.34652 0.69304 ) 360.00000000 ( 0.57447 0.57447 0.00000 ) ( 0.35127 0.35127 0.70253 ) 360.00000000 ( 0.58234 0.58234 0.00000 ) ( 0.35601 0.35601 0.71203 ) 360.00000000 ( 0.59021 0.59021 0.00000 ) ( 0.36076 0.36076 0.72152 ) 360.00000000 ( 0.59808 0.59808 0.00000 ) ( 0.36551 0.36551 0.73101 ) 360.00000000 ( 0.60595 0.60595 0.00000 ) ( 0.37025 0.37025 0.74051 ) 360.00000000 ( 0.61382 0.61382 0.00000 ) ( 0.37500 0.37500 0.75000 ) 360.00000000 ( 0.62169 0.62169 0.00000 ) SPIN= 1 Temperature = 2.000000000000000E-003 EFermi = -0.277290679159487 E(T) = -1452.57902670810