DFT D3

Queries about input and output files, running specific calculations, etc.


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pfleura2

DFT D3

#1 Post by pfleura2 » Tue Aug 06, 2013 4:14 pm

Dear colleagues,

I have seen that the D3 correction of Grimme has been implemented in VASP (W. Reckien, F. Janetzko, M. F. Peintinger, T. Bredow J. Com. Chem. 2012, 33, 2023?2031) but I have not seen it in the Vasp Manual.
Is it officially in VASP 5.3.x ? if yes, what should I use in the INCAR to use it ?

Thanks in advance,
Regards,
Paul.
Last edited by pfleura2 on Tue Aug 06, 2013 4:14 pm, edited 1 time in total.

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Re: DFT D3

#2 Post by support_vasp » Thu Sep 12, 2024 7:30 am

Hi,

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