Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
How to get the excited state properties printed in TDDFT output?
I noticed from a TDDFT calculation output that there is a section printed for "TOTAL MULLIKEN AND LOWDIN ATOMIC POPULATIONS". Is this data printed for the ground state?
If yes then how should I get the same data printed for all the excited states or the keyword needed? I also need the dipole moments of both gnd and excited states.
Wed Oct 22 '14 12:49pm
This message read 679 times