ORCA 5.0.4 released!

ORCA 6 is not out of the oven yet, but meanwhile we released a new bugfix version ORCA 5.0.4. Always stay up to date with the latest version!

Notably, a bug for the D4 empirical dispersion correction was fixed, which affects e.g. the r²SCAN-3c functional. We have quantified the effect of this bug, see this post.
Bottom line: the differences are of little concern and only result in minor deviations in the vast majority of cases.

Academics can download the new version for free at the ORCA forum. Other users will receive the update via our customer support channel.

Have fun with ORCA!