Stress effects in VASP

Guest · Post by **Guest** » Thu Feb 16, 2006 12:30 pm

How can I consider stress effects in VASP?

I want to apply the strain in the super cell.

I think that stress effets is related to the lattice constant in POSCAR file or ISIF option in INCAR file.

Right?

If my guess is wrong, what is other method to consider the stress effects?

Thanks a lot.

andri · Post by **andri** » Fri Feb 17, 2006 2:23 am

Here we (admins, other users may of course answer) only answer questions about using our tools for doing transition state theory calculations with VASP.

For other problems, consult the official VASP forum or the online manual.

Post by **graeme** » Fri Feb 17, 2006 4:52 am

This is true, but if you were thinking about how the stress relates to finding transition states, we would all be interested in talking about it. This is a challanging problem that only a few groups are working on.