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Whether the DIPOL tag should be set, when I want to apply an external electronic field.

Posted: Fri Sep 14, 2012 7:49 am
by xinhuanwen
Hello everyone:
When I apply an external electronic field (EFIELD=0.1, LDIPOL=.TRUE. , and IDIPOL=3), the calculation dosn't convergence. But if I set DIPOL =0.5 0.5 0.5 in the INCAR file besides EFIELD LDIPOL IDIPOL, the calculation will convergence well. However, according to the manual and all the threads from the forum, I know the three tags EFIELD LDIPOL IDIPOL are enough to apply an external electronic field. I want to know whether the DIPOL tag should be set up when an external electronic field was applied?

Thanks in advance!

Re: Whether the DIPOL tag should be set, when I want to apply an external electronic field.

Posted: Thu Sep 12, 2024 7:47 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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VASP