[molpro-user] Too many active orbitals in MRCISD calculations.

Dawid das addiw7 at googlemail.com
Sat Oct 4 20:38:20 BST 2014

Dear molpro experts,

I have already written here about this problem but I did not get a clear
answer and I'd like to tackle it again. I want to perform MRCISD
single-point calculations and I get error saying that I have too many
active orbitals. I've already been informed by you why it is so and I
understand it but according to what Evgeniy Gromov wrote on 10th March this
problem was removed:

"Actually, I heard that the 32 limit had been removed in the latest
version of molpro. So, it's strange you hammered into that problem."

I use molpro2012.1.12 version. Is there more recent one?
Is it possible to overcome this issue or should I forget about using molpro
to do my calculations as I wish?

Best wishes,

Dawid Grabarek
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20141004/0044efc4/attachment.html>

More information about the Molpro-user mailing list