[molpro-user] Error in CASPT2 calculation

[Chen Hui]

Hi, Molpro-Users,

I was doing CASPT2 calculation using Molpro2006.1 when I encountered 
such a error as below:

 Reference wavefunction optimized for reference space (refopt=1)

 State     Reference Energy
   1       -2618.77709118
 n=                  4005   lvec=                  2000
 ? Error
 ? LVECT TOO SMALL
 ? The problem occurs in SMH



Could anyone give some hint about how to solve this error?
Thanks

-- 
Dr. Chen Hui
Department of Organic Chemistry
Hebrew University of Jerusalem
The Hebrew University, Givat Ram Campus
Jerusalem, 91904,Israel
Email: chenh at yfaat.ch.huji.ac.il
phone: 02 6585069
fax:   02 6584033