defects
Full name: ase2sprkkr.asr.setup.defects
Description
Generate defective atomic structures.
Functions
|
Create folder for all configurations. |
|
Set up all possible defects. |
|
Set up the supercell of a given structure depending. |
Full name: ase2sprkkr.asr.setup.defects
Description
Generate defective atomic structures.
Functions
|
Create folder for all configurations. |
|
Set up all possible defects. |
|
Set up the supercell of a given structure depending. |