[molpro-user] AIMS with general contracted basis set

[Gabriel Freitas]

Dear molpro users/developers,

I'm trying to perform AIMS multi-state CASSCF calculations with generally
contracted basis set, which crashes with the message:



* GENERAL BASIS CONTRACTION NOT IMPLEMENTED IN CADPAC GRADIENTS  Please try
with segmented basis set*

I was able to perform CASSCF excited state geometry optimization using
{RS2;noexc;state X.Y}, but I'm not sure how to do this when using diabatic
orbitals and several state couplings.

Could anyone help me?

Best regards,

Gabriel
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20140419/08868a70/attachment.html>