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

ML AB

From Vaspwiki
Revision as of 16:40, 23 May 2019 by Karsai (talk | contribs)
Jump to navigationJump to search

This file is used within the machine learning force field method. It contains the ab initio data (positions, energies, forces and stress tensors) from previous calculations. It is used for continuation runs (ML_FF_ISTART=1 or ML_FF_ISTART=2).