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