calculates the oscillator strenght based on CIS energies
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(in) | :: | f | |||
type(grid3d), | intent(in) | :: | g | |||
integer, | intent(in), | optional | :: | state_in | ||
real(kind=long), | intent(out), | optional | :: | os(size(f%e_cis)+1) | ||
real(kind=long), | intent(out), | optional | :: | tdip(size(f%e_cis)+1,3) |