Problem with the CPMCSCF_HESSIAN program

[James A.J. Fitzpatrick]

Dear Igor,

I think it is possible to specify which route through that symmetry and 
multiplicity you wish to calculate, e.g.

state,1,2 will calculate one state of whatever symmetry but the second 
route through that symmetry. This avoids problems with state-averaging I 
think.

I hope that this helps.
Best wishes,
James.


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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