Convergence with dipole correction

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Yue-Wen Fang
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Convergence with dipole correction

#1 Post by Yue-Wen Fang » Mon Jul 29, 2013 1:52 am

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
Last edited by Yue-Wen Fang on Mon Jul 29, 2013 1:52 am, edited 1 time in total.
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support_vasp
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Re: Convergence with dipole correction

#2 Post by support_vasp » Thu Sep 12, 2024 8:01 am

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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