Answer by I have no free time anymore for OpenMOLCAS error while running CCT...
I have run a calculation with that input file, and can see that an error occurred when trying to calculate the (T) part of the CCSD(T) calculation, as you can see that we have ************************...
View ArticleOpenMOLCAS error while running CCT in &CCSDT module
I am trying to perform a coupled cluster calculation at the CCSD(T) level using OpenMOLCAS. My input file is the following, in which I am using default values for most of the key...
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