[Orca-users] reading orbitals from previous casscf calculations

Blair Zajac blair at orcaware.com
Sun Sep 14 10:56:31 PDT 2014


On Sep 14, 2014, at 5:48 PM, silmar.monte <silmar.monte at uol.com.br> wrote:

> Dear orca users,
>  
> I am a new user of orca software and I have some questions concerning casscf calculations. I did not find these information in the manual. 
>  
> 1) I would like to perform casscf calculations reading the converged orbitals from a previous (smaller) casscf calculation.
> 2) I would like to do the same but now reordering the orbitals, that is, swaping between doubly occupied and active orbitals.
> Any help would be greatly appreciated.

Hello Silmar,

It looks like you’re referring to another Orca project, not the one this mailing list is for.  This mailing list is for the server statistics measurement and plotting tool as shown here:

https://www.orcaware.com/orca/

Regards,
Blair




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