Feature request for R2SCAN-3c. The Summary and Conclusions of the paper makes the case pretty well.
https://doi.org/10.1063/5.0040021
Requires D4, gCP and a tailored basis set.
R2SCAN is used unaltered, and I see there is a pull request for libxc 5.1.0 which contains that DFA.
Feature request for R2SCAN-3c. The Summary and Conclusions of the paper makes the case pretty well.
https://doi.org/10.1063/5.0040021
Requires D4, gCP and a tailored basis set.
R2SCAN is used unaltered, and I see there is a pull request for libxc 5.1.0 which contains that DFA.