Firefly and PC GAMESS-related discussion club

 
Learn how to ask questions correctly  
 
 

 

Alex Granovsky
gran@classic.chem.msu.su

This information is printed by default for most types of runs.  
What are runtyp and nprint options you are using?

Kind regards,
Alex Granovsky


On Sat Jun 10 '17 1:57pm, Dawid wrote
-------------------------------------
>Dear Firefly Users,

>I would like to calculate dipole moments, transition moments
>and excitation energies in a single run. More precisely, I
>need dipole moments for both ground- and excited-states. How can I
>do it with Firefly? I have searched this forum and found some topics
>on calculations of dipole moments also with XMCQDPT2 but I couldn't
>find answer to my question.
>Obviously I know how to extract excitation energies and
>transition dipole moments.

>Best wishes,
>Dawid