DFT D3
Posted: 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.
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.