CCL: problem with COSMO model in ORCA-2.9
- From: Puneet Gupta <puneetg.iitk-$-gmail.com>
- Subject: CCL: problem with COSMO model in ORCA-2.9
- Date: Tue, 29 May 2012 22:48:09 +0200
Dear All,
I am using ORCA-2.9 to calculate single point energies of the
molecules. Normally I don't get any problem in running COSMO solvent model
in ORCA2.9 but for one of the molecules I am getting error. Please see
below-
COSMO problem: a1mat not positive definite in consts.f
Could someone
please help me to resolve this
problem.
Thanks.
regards,
Puneet