ML FFN

From VASP Wiki
Revision as of 08:25, 23 August 2021 by Karsai (talk | contribs)

This file contains a knewly created force field from machine learning runs with the options ML_ISTART=0 or ML_ISTART=1. It's structure is identical to the ML_FF file. To be able to use the new force field from ML_FFN file it has to be simply copied to ML_FF and the INCAR tag ML_ISTART=2 has to be set.