NEB images

[gump_813]

Hi,all

is it required that the atoms in different NEB images should be in the same supercell? Or their positions may differ according to PBC?
Thank you.

[dano]

There so be no issue for a path where an atom that leaves one side of the cell and enters the other. This being said atom 1 in image 1 must always be atom 1 in image 2.