
DFT_FUNCTIONALΒΆ
The DFT combined functional name, e.g. B3LYP, or GEN to use a python reference to a custom functional specified by DFT_CUSTOM_FUNCTIONAL.
- Type: string
- Default: No Default
The DFT combined functional name, e.g. B3LYP, or GEN to use a python reference to a custom functional specified by DFT_CUSTOM_FUNCTIONAL.
- Type: string
- Default: No Default