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.
Tkatchenko-Scheffler method and ADDGRID=T
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rrobles
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Tkatchenko-Scheffler method and ADDGRID=T
Last edited by rrobles on Fri Aug 01, 2014 5:17 pm, edited 1 time in total.
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support_vasp
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Re: Tkatchenko-Scheffler method and ADDGRID=T
Hi,
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