Problem about casscf optimization

[James A.J Fitzpatrick]

Hi,

The general basis contraction is not implemented. You need to specify
your basis input like this:

basis={
spd...,atom,vtz
}
This uses the basis in its uncontracted form, or you could use a
segmented basis instead.

Hope that helps,
James.

---
James A.J. Fitzpatrick                  
Laser Chemistry and Dynamics Group
School of Chemistry, Cantock's Close, Bristol BS8 1TS, UK.
Telephone (Office) : +44 117 928 9938
Telephone (Lab)    : +44 117 928 8187 
Fax : +44 117 925 0612

E-mail : j.fitzpatrick at bris.ac.uk
Web    : http://www.chm.bris.ac.uk/~chjajf