DFTD4¶
Input File |
Description |
|---|---|
Sample r2scan-d4/cc-pVDZ H2O computation |
|
Exercises the various DFT-D corrections, both through python directly and through c++ |
Input File |
Description |
|---|---|
Sample r2scan-d4/cc-pVDZ H2O computation |
|
Exercises the various DFT-D corrections, both through python directly and through c++ |