Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

How to assign different Basis sets to different atoms?

Siddheshwar Chopra

Dear Sir,
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.


[ Previous ] [ Next ] [ Index ]           Fri Jan 3 '14 12:44pm
[ Reply ] [ Edit ] [ Delete ]           This message read 914 times