$pointval mos in excited state RICC2

[Alex_V]

Hi,

I am currently using TM v5.9 and trying to generate .plt files for molecular orbitals with excited state RICC2.
As I understand ricc2 –proper option is not supported in v5.9, therefore I use

ricc2 – fanal

with $anadens and $pointval options specified in control file.
As a result the file with total excited state densities, as defined in $anadens, is generated,
but the .plt files with molecular orbitals, specified in  $pointval mo are missing, although no errors in the output are reported.

Does anybody have an idea how to generate MO plt files in this case?

Regards,
Alexander

[christof.haettig]

Dear Alexander,
I don't understand what you want to plot. There is nothing like 'MOs for excited states'. With the -fanal option you can
plot densities for excited states (or differences between ground and excited state densities).
But the MOs are calculated in the Hartree-Fock calculation which you have to do before the RI-CC2 and you can
generate plot files for the MOs with 'dscf -proper'.

Regards,
Christof