esta.general.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
Returns:
-
uc(array of shape(3,3)) –unit cell with vaccumm along the uc[2] vector
-
.. 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