DFT-D3 correction in LAMMPS

LAMMPS LAMMPS Beginners
1

Dear all,

I’m searching for the implementation of DFT-D3 correction in LAMMPS, but can not find it. Can anyone share a link to documentation for implemented DFT-D3 in LAMMPS or another software that can work as a LAMMPS module?

Thank you in advance!

2

There is no DFT-D3 in the LAMMPS distribution. Please note that since LAMMPS is open source software, people can implement their own features and quite a few of them choose to not contribute those back to the LAMMPS distribution (for a variety of reasons).

Where did you see that there should be such a thing in LAMMPS?

3

Thank you for the replay! Okay, got it.

I have seen the plans to implement DFT-D3 in the presentation from a 2019 year workshop:

And I was thinking it was already implemented, but I just can not find it.

Now the question is solved, thank you!