Page 1 of 1

VDW_RADIUS and dftd4.

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

Re: VDW_RADIUS and dftd4.

Posted: Mon Mar 04, 2024 8:38 am
by merzuk.kaltak
Dear Zhao,

DFTD4 does not read VDW_RADIUS.
Only following tags are read by the library in VASP:

Re: VDW_RADIUS and dftd4.

Posted: Tue Mar 05, 2024 12:04 pm
by hszhao.cn@gmail.com
Dear merzuk.kaltak,

Thank you for your comments and explanations.

Regards,
Zhao