My Community

Hello,

As a new user, I was fitting force field using the ML_ISTART tag in vasp 6.3.0. I saw new tag ML_mode is recommended to be used instead of it in vaspwiki.
I was wondering if there's any performance difference between two tags, as I'm not planning to be able to upgrade my vasp version anytime soon.

Thank you!!!

The ML_MODE tag uses internally the ML_ISTART tag, so from that you have no performance gain.
However VASP 6.4.1 has a fast force field which is really a game changer in terms of calculation speed. It's 20-100 times faster than the force field in VASP 6.3.0.

So I would strongly advise everybody to upgrade to VASP 6.4.1.

Thank you, ferenc_karsai!!!!