Is there DFT-D3 model of Grimme (Grimme et al, J. Chem. Phys. 132, 154104 (2010)) in siesta package?

Asked by azadeh ayatollahi on 2019-09-22

Dear siesta users
Is there DFT-D3 model of Grimme (Grimme et al, J. Chem. Phys. 132, 154104 (2010)) in siesta package?
Best,
Azadeh

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2019-09-22
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2019-09-22
Alberto Garcia (albertog) said : #1

No, the current Grimme-D method in Siesta is the one using only two-body potentials. See:
J Comput Chem 25: 1463–1473, 2004 and J Comput Chem 27: 1787–1799, 2006.

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