[molpro-user] keyword nstatei question
Andy May
MayAJ1 at cardiff.ac.uk
Tue May 31 11:02:23 BST 2011
Akos,
I don't think nstatei is valid input, probably a typo. The options
'nstate' and 'nstati' are both valid parameters. Please see the manual,
'THE CI PROGRAM' > 'Options' > 'Miscellaneous options' which is
currently located at:
http://www.molpro.net/info/current/doc/manual/node301.html
Best wishes,
Andy
On 23/05/11 14:32, bencsura wrote:
> Dear Molpro Community,
>
> I have inherited the following script:
> ...
> {multi,maxit=150;occ,10;closed,1; wf,10,1,0;state,2}
> {ci,maxiti=50;occ,10;closed,1;core,1; wf,10,1,0; state,4,nstatei=7}
>
> I was not able to find any reference to the nstatei parameter.
> Can anybody enlighten me about this nstatei ?
>
> Thanx,
> Akos
>
>
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user
More information about the Molpro-user
mailing list