5500. 4.5 F F ! LTE, LTGRAY 'nres.param' ! name of file containing non-standard flags * * frequencies * 50 * * data for atoms * 30 ! NATOMS * mode abn modpf 2 0. 0 ! H 1 0. 0 ! He 1 0. 0 1 0. 0 1 0. 0 1 0. 0 ! C 1 0. 0 ! N 1 0. 0 ! O 1 0. 0 1 0. 0 ! Ne 1 0. 0 2 0. 0 ! Mg 1 0. 0 ! Al 1 0. 0 ! Si 1 0. 0 1 0. 0 ! S 1 0. 0 1 0. 0 1 0. 0 2 0. 0 ! Ca 1 0. 0 1 0. 0 1 0. 0 1 0. 0 1 0. 0 1 0. 0 ! Fe 1 0. 0 1 0. 0 1 0. 0 1 0. 0 * * data for ions * *iat iz nlevs ilast ilvlin nonstd typion filei * 1 -1 1 0 0 0 ' H 0' 'data/hmin.dat' 1 0 9 0 0 0 ' H 1' 'data/h1.dat' 1 1 1 1 0 0 ' H 2' ' ' 12 0 41 0 0 0 'Mg 1' 'data/mg1.t' 12 1 25 0 0 0 'Mg 2' 'data/mg2.dat' 12 2 1 1 0 0 'Mg 3' ' ' 20 0 15 0 0 0 'Ca 1' 'data/ca1.t' 20 1 18 0 0 0 'Ca 2' 'data/ca2.t' 20 2 1 1 0 0 'Ca 3' ' ' 0 0 0 -1 0 0 ' ' ' ' *