[molpro-user] LVECT Error in MS-CASPT2 - any options to help?

[Seth Olsen]

Hi Molpro-Users, 

A recent ms-mr-caspt2 job with 5 mixed states died with the error:

 ?WARNING: SMALL EIGENVALUE OF PAIR OVERLAP MATRIX:  0.9597D-07
 n=                  2638   lvec=                  2000
 ? Error
 ? LVECT TOO SMALL
 ? The problem occurs in SMH

   But it is not clear to me from the manual what options/thresholds I 
might deploy to  limit the number of doubles to  avoid  the  
near-singularity.  Could somebody suggest what options I might consider?

Cheers,

Seth