[molpro-user] CASPT2 problem

[Attila Bende]

Dear Molpro users,

I would appreciate if somebody can help me in my CASPT2 calculations:
Here my input
____________________________
geometry={
...
...
}
basis=dzp
{hf;occ,53;wf,106,1,0}
multi;occ,57;frozen,44;wf,106,1,0;state,3;maxiter,25;canonical;ci

{rs2c,MIX=3
occ,57
core,44
wf,106,1,0
state,3}
______________________________

The error message from the output is:

TOO MANY ACTIVE ORBITALS: 42 THIS VERSION ALLOWS 32



Maybe my molecular system is too large for such calculation?

Thanks in advance
Attila

-- 
Dr. Bende Attila (PhD)
Senior Researcher II

***********************************************************************
National Institute of R&D of Isotopic and Molecular Technology
Str. Donath nr.65-103, C.P.700
Cluj-Napoca, R-400293, Romania
Phone:+40-264-584037, ext. 216, Fax: +40-264-420042
e-mail: bende at itim-cj.ro, attlbende at yahoo.co.uk
Web: http://www.itim-cj.ro/~bende/index.html
         http://www.researcherid.com/rid/A-6539-2008
***********************************************************************