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Convergence with dipole correction

Posted: Mon Jul 29, 2013 1:52 am
by Yue-Wen Fang
Dear VASP users and admin,

I am optimizing geometry of a slab with vacuum. The cutoff energy is 400eV with LDA exchange-correlation functionals.
Firstly, I got the convergence structure without applying dipole correction( EDIFF = 5.D-4 and EDIFFG = -5.D-2).
Secondly, I set LDIPOL = .TRUE. and IDIPOL = 3. Whereas, the forces became very large and the structure could note reach convergence.
I am sure that my structure is correct because I have compared mine to others' for many times. :)

regards!
Yuewen

Re: Convergence with dipole correction

Posted: Thu Sep 12, 2024 8:01 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.

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