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Identical sites-atoms in POSCAR?

Posted: Wed Apr 24, 2013 3:58 pm
by kayahan
Hi all,

Do you know about any code that gives the identical sites or atoms in a crystal? If it makes Schottky defects with a given substitution atom, that would be even better. I know there is aconvasp in Curtarolo's group website which doesn't support more than 50 atoms.

Thanks a lot!

Re: Identical sites-atoms in POSCAR?

Posted: Thu Sep 12, 2024 7:39 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP