Simple-DFT-D3: Revision history

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2 March 2026

  • curprev 10:5710:57, 2 March 2026‎ Ftran talk contribs‎ 3,968 bytes +3,968‎ Created page with "Simple DFT-D3{{cite|ehlert:joss:2024}}{{cite|sdftd3_1}}{{cite|sdftd3_2}} is an external package that implements the DFT-D3 method{{cite|grimme:jcp:10}}{{cite|grimme:jcc:11}} and can be linked to VASP. DFT-D3 adds to the DFT energy expression a term that accounts for the van der Waals (vdW) interactions, which are in principle not included in semilocal and hybrid exchange-correlation..."
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