DFTD3¶
| Input File | Description |
|---|---|
| dftd3/psithon2 | Accesses basis sets, databases, plugins, and executables in non-install locations |
| dftd3/version | Exercises the various DFT-D corrections, both through python directly and through c++ |
| dftd3/grad | DF-BP86-D2 cc-pVDZ frozen core gradient of S22 HCN, calling Grimme’s dftd3 program for -D2 gradients |
| dftd3/energy | Exercises the various DFT-D corrections, both through python directly and through c++ |
