Requests for technical support from the VASP group should be posted in the VASP-forum.

ML FFN

From Vaspwiki
Jump to navigationJump to search

This file contains a knewly created force field from machine learning runs with the options ML_FF_ISTART=0 or ML_FF_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_FF_ISTART=2 has to be set.