ML FF: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 7: Line 7:
----
----


[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Input Files]]
[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Input Files]][[Category:Alpha]]

Revision as of 14:57, 26 February 2020

This file contains the force field information.

It is needed to run calculations using force fields only (ML_FF_ISTART=2).

A knewly created force field with ML_FF_ISTART=0 or ML_FF_ISTART=1 is written to the ML_FFNCAR file. This file has to be copied or moved to ML_FF for a force field only calculation.