[molpro-user] Cosmo model

lilianna bryjko lbryjko at yahoo.com
Mon Oct 31 17:54:13 GMT 2011


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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