« first day (989 days earlier)      last day (424 days later) » 

Q-Chem Talk
Q-Chem Talk
6:33 PM
Q-Chem Talk - Latest topics: Help with incremental FCI (iFCI) example
posted on March 11, 2023 by chemistry_beginner

I am trying out incremental FCI (iFCI) example , but it gave me some runtime error in the output log file. Could anyone advise ? input file $molecule 0 1 C 0.0000000000 0.0000000000 0.0020303630 C 0.0000000000 0.0000000000 1.3369696370 H 0.9228964204 0.0000000000 -0.5679991115 H -0.9228964204 0.0000000000 -0.567…

 

« first day (989 days earlier)      last day (424 days later) »