[molpro-user] Saving final orbitals into actual file.
Grant Hill
grant.hill at sheffield.ac.uk
Fri Mar 7 15:17:21 GMT 2014
Dear Dawid,
Googling:
molpro molden
has the following link as the first hit.
http://www.molpro.net/info/2012.1/doc/manual/node103.html
Grant
On 7 Mar 2014, at 07:49, Dawid das <addiw7 at googlemail.com> wrote:
> Dear molpro specialists,
>
> How can I save final rhf orbitals to the file so that
> I can visuailze them later on? For example using molden.
> Is it possible at all or would you suggest to use molcas for example first,
> so that I get molden file for these orbitals?
>
> Thank you,
>
> Dawid
>
> PS I used:
>
> save, 2100.2
>
> but it does not generate a file I can read later on.
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