Hi.
I am using the program Densf to get all the molecular orbitals of a molecule. I tried all the options but finally I was reduced to only use the option "grid save coarse" to get only four MOs.
My calculation is a RHF one, singlet, zero net charge (DZP+BP).
Has anyone experience with Desnf that can help me?.
Thank you very much.
J.S. Gomez-Jeria
Received on 2005-05-29 21:29:22