VDW_RADIUS and dftd4.

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hszhao.cn@gmail.com
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VDW_RADIUS and dftd4.

#1 Post by hszhao.cn@gmail.com » Thu Feb 29, 2024 1:36 pm

Based on the description here:
VDW_RADIUS sets the cutoff radius for the van der Waals pair interactions in Å \AA for the DFT-D2, DFT-D3, DFT-ulg, DDsC, and Tkatchenko-Scheffler methods.
So, does DFTD4 have nothing to do with this parameter?

Regards,
Zhao
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merzuk.kaltak
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Re: VDW_RADIUS and dftd4.

#2 Post by merzuk.kaltak » Mon Mar 04, 2024 8:38 am

Dear Zhao,

DFTD4 does not read VDW_RADIUS.
Only following tags are read by the library in VASP:
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hszhao.cn@gmail.com
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Re: VDW_RADIUS and dftd4.

#3 Post by hszhao.cn@gmail.com » Tue Mar 05, 2024 12:04 pm

Dear merzuk.kaltak,

Thank you for your comments and explanations.

Regards,
Zhao
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