[molpro-user] Cosmo model

Ricardo Mata ricardo.mata at gmail.com
Tue Nov 1 09:48:04 GMT 2011

Dear Lilianna,

The COSMO model in Molpro has not, to date, been implemented for use with CASSCF calculations.

Best wishes,

On Oct 31, 2011, at 6:54 PM, lilianna bryjko wrote:

> Hi, 
> I would like to ask if it is possible to employ COSMO model for Multi calculations. When I have an input:
>  hf
>  orbital,2100.2
>  cosmo;
>  rad,O,1.72;
>  rad,H,1.30;
>  rad,C,2.00;
>  rad,N,1.83;
> I get error message: This may be a directive for command HF-SCF or a global directives or a procedure.
>  Please enclose command and associated directives by curly brackets: {HF-SCF;...}
> With curly bracket it is working for HF. When I try employ it for CASSCF calculations, cosmo is not known. How to do COSMO a global directive in my input.
> Best wishes,
> Lilianna 
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> Molpro-user at molpro.net
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