Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
How to assign different Basis sets to different atoms?
I am working on Graphene. I want to replace C atoms by heavier atoms. I want to use specific basis set for specific atoms. Please tell me how to do it and I would be grateful if you send me a sample input file for the same. I wish to run HESSIAN jobs.
Fri Jan 3 '14 12:44pm
This message read 663 times