ML MRB1

From VASP Wiki
Revision as of 07:07, 20 May 2019 by Karsai (talk | contribs)

ML_FF_MRB1_MB = [integer]
Default: ML_FF_MRB1_MB = ML_FF_MRB2_MB/2 

Description: This tag sets the number of radial basis sets used to expand the atomic distribution for the radial descriptor withtin the machine learning force field method.


Related Tags and Sections

ML_FF_LMLFF, ML_FF_MRB2_MB, ML_FF_W1_MB, ML_FF_W2_MB

Examples that use this tag