[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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