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

ML WTSIF

From Vaspwiki
Jump to navigation Jump to search

ML_WTSIF = [real] 

Default: ML_WTSIF = 5.0 if ML_IWEIGHT=1
= 1.0 otherwise

Description: This tag sets the weight for the scaling of the stress in the training data within the machine learning force field method.


If ML_IWEIGHT=1 the weight has unit kBar and is used to divide the data by it. For ML_IWEIGHT=2 and 3 the weights are unitless and multiplicative.


Related Tags and Sections

ML_LMLFF, ML_IWEIGHT, ML_WTIFOR, ML_WTOTEN, ML_IALGO_LINREG

Examples that use this tag