[molpro-user] CASSCF and MRCI

[Ashwani Kumar Tiwari]

Dear All,
I am trying to do CASSCF and MRCI calculation for SF6 molecule using
follwing keywords

{casscf
 closed,25,8
 occ,25,11
 wf,70,1,0}
{MRCI,
core 20,5}
Program shows the following error
NO VECTOR OF INTERNAL CI OVERLAPS SUFFICIENTLY WITH REFERENCE VECTOR 1.
INCREAS  NSTATI!

OVERLAP BETWEEN INITIAL AND PRESENT VECTORS

                 1


        1    -0.0241235

ERROR EXIT
Could anyone suggest me what should I do?

thanking you in anticipation

Ashwani Kumar Tiwari
Research Scholar
C/O Prof. N. Sathyamurthy
Department of Chemistry
IIT Kanpur