acpf calculation (W1) and nstati

Anthony P. Scott Anthony.Scott at
Wed May 3 03:52:15 BST 2000


I am trying to do an acpf calculation to get the relativistic effect 
(W1 method) and the job fails with a error message that says, in 
effect, to increase nstati.

If I increase nstati from 1 -> 2 I now get an error that says that 
there are more states than reference configurations.

Does anyone have any suggestions on how to overcome this?

thanks for any help you all may have.

Dr. Anthony P. Scott,
Computational Quantum Chemistry Group,   Office Ph.: 61-2-6249-3573
Research School of Chemistry,                    Dept. Ph.:  61-2-6249-3637
Australian National University,                   Fax:        61-2-6249-0750
Canberra, ACT 0200,                                 E-mail: 
Anthony.Scott at

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