esta.vaspBag.add_vacuum_to_unit_cell
¶
add_vacuum(LV1, LV2, LV3, vacuum)
¶
Add vacuum layer along LV3
Parameters:
LV1: array lattice vec 1 LV2: array lattice vec 2 LV3: array lattice vec 3 vacuum: float The thickness of the vacuum in Ang
TODO: Note:
- in future LV1,LV2,LV3 may be taekn in the form of a cell matrix with each row representing LV1,
LV2, and LV3
- vacuum in all directions can be added ... just pass the axis(LV1..2..3) in a loop to this method