ML_SIGW0

ML_SIGW0 = [real]
Default: none

Default: ML_SIGW0	= 1E-7	for ML_MODE = REFIT
	= 1.0	else

Description: This flag sets the precision parameter $s_{\mathrm {w} }$ for the fitting in the machine learning force field method.

The default value works empirically very good in most calculations

However, 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 control the regularization via this parameter and keep the noise paramter $s_{\mathrm {v} }$ (see ML_SIGV0) constant at 1.

For the theory of this regularization parameter see this section.

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