ML SION1

From VASP Wiki
Revision as of 10:11, 16 November 2020 by Karsai (talk | contribs)

ML_FF_SION1_MB = [real]
Default: ML_FF_SION1_MB = 0.75 

Default: ML_FF_SION1_MB = 0.5 {{{3}}}

Description: This tag specifies the width of the Gaussian functions used for broadening the atomic distributions for the radial descriptor within the machine learning force field method.


The unit of ML_FF_SION1_MB is in . This tag is only set if ML_FF_IBROAD1_MB is not equal 1 (not default).

Related Tags and Sections

ML_FF_LMLFF, ML_FF_SION2_MB, ML_FF_IBROAD1_MB, ML_FF_IBROAD2_MB

Examples that use this tag