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Tkatchenko-Scheffler method and ADDGRID=T

Posted: Fri Aug 01, 2014 5:17 pm
by rrobles
When using the Tkatchenko-Scheffler method wrong results are obtained if ADDGRID=T is used. In particular, the calculated C6ts parameter seems to be unreasonable large. The behavior is the same in different tested systems using vasp.5.3.5 31Mar14.

Is there any known incompatibility of the implementation of the T-S method with the
ADDGRID=T option?

Thanks.

Re: Tkatchenko-Scheffler method and ADDGRID=T

Posted: Tue Sep 10, 2024 2:41 pm
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