Geometry Optimization with COSMO

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Forum Vet

11:54:35 AM PDT - Fri, May 24th 2013
CDFT and COSMO
It looks like CDFT and COSMO do not work together properly. Without the CDFT the energy calculation will converge, with the CDFT the energy calculation will not converge in the COSMO step. There is as of now no quick fix for this problem. Bert