computes photoionizatio cross sections employing configuration interaction calculations
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(param), | intent(in) | :: | p | |||
type(atom_set), | intent(in) | :: | a(:) | |||
type(basis), | intent(in) | :: | b | |||
type(wf_data), | intent(inout) | :: | f | |||
type(grid3d), | intent(in) | :: | g | |||
character(len=*), | intent(in), | optional | :: | fpath(p%n_nuc) |
Mar.19.2015: optiona |