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

# ML FF CSIG

Jump to navigationJump to search

ML_FF_CSIG = [real]
Default: ML_FF_CSIG = ${\displaystyle 0.2}$

Description: Parameter used in the automatic determination of threshold for Bayesian error estimation in the machine learning force field method.

ML_FF_CSIG is a threshold for variance in the stored estimated errors used to determine the criteria when ML_FF_LCRITERIA=.TRUE. is set.