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

Difference between revisions of "ML FFN"

From Vaspwiki
Jump to navigationJump to search
m (Karsai moved page ML FFNCAR to ML FFN)
Line 2: Line 2:
 
----
 
----
  
[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]][[Category:VASP6]]
+
[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]]

Revision as of 10:38, 30 January 2020

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_FFCAR file. To be able to use the new force field from ML_FFNCAR file it has to be simply copied to ML_FFCAR and the INCAR tag ML_FF_ISTART=2 has to be set.