ML_SIGV0

From VASP Wiki

ML_SIGV0 = [real]
Default: ML_SIGV0 = 1.0 

Description: This flag sets the noise parameter (see here for definition) for the fitting in the machine learning force field method.


If the regularization needs to be controlled manually, like e.g. in the fitting via singular value decomposition (ML_MODE=REFIT or ML_IALGO_LINREG=4), the best is to keep this parameter constant at 1 and control the regularization via the precision parameter (see ML_SIGW0).

For the theory of this regularization parameter see this section.

Related tags and sections

ML_LMLFF, ML_IREG, ML_SIGW0, ML_IALGO_LINREG

Examples that use this tag