ML_SIGV0

From VASP Wiki
Revision as of 15:43, 3 July 2023 by Karsai (talk | contribs)

ML_SIGV0 = [real]
Default: ML_SIGV0 = 1.0 

Description: This flag sets the noise parameter 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_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

Examples that use this tag