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

Difference between revisions of "ML AB"

From Vaspwiki
Jump to navigationJump to search
 
Line 1: Line 1:
 +
This file contains the ab initio data (positions, energies, forces and stress tensors) from previous calculations. It is used for continuation runs ({{TAG|ML_FF_ISTART}}=1 or {{TAG|ML_FF_ISTART}}=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]][[Category:VASP6]]

Revision as of 16:39, 23 May 2019

This file 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).