ML RCUT1: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 4: Line 4:
----
----
The unit of the cut-off radius is given in <math>\AA</math>.
The unit of the cut-off radius is given in <math>\AA</math>.
The value of {{TAG|ML_FF_RCUT1_MB}} is the default value for {{TAG|ML_FF_RCUT2_MB}}.


== Related Tags and Sections ==
== Related Tags and Sections ==

Revision as of 10:09, 16 November 2020

ML_FF_RCUT1_MB = [real]
Default: ML_FF_RCUT1_MB = 5.0 

Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method.


The unit of the cut-off radius is given in . The value of ML_FF_RCUT1_MB is the default value for ML_FF_RCUT2_MB.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_RCUT2_MB, ML_FF_W1_MB, ML_FF_SION1_MB, ML_FF_SION2_MB

Examples that use this tag