Stretch Cell

[Dipankar Saha]

Hello,
Regarding the "Bulk Rigid Relaxation of the interface central region"_

Why it's required to stretch the cell (to add vacuum), say in Z-direction...? Won't I be able to create electrode extensions....if I don't do so...??!!

Best_
Dipankar

[Anders Blom]

This is because the length of the central region in Z is unknown a priori, and having vacuum on the outside and rigid bodies representing the electrodes (or their extensions, at least) allows the algorithm to optimize the length of internal part of the central region in Z.

[Dipankar Saha]

Okay... I understand.... / Thank you Anders .....