Dear all,

Hope you have a good day.

In CASTEP, I can apply the vertical pressure on the structure by using the z direction pressure in the stress tab, only in conditions that lattice is not restricted in its changes.

It totally make sense that the pressure in the simulation related with the lattice distorsion.

However, is it possible to perform the pressure simulation without any changes in the lattice like using the script?

Or is it meaningless physically?

Thank you, always.

Best regards,

Rakhoon Choi