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

ML FF RCOUPLE MB

From Vaspwiki
Jump to navigationJump to search

ML_FF_RCOUPLE_MB = [real]
Default: ML_FF_RCOUPLE_MB = 1.0 

Description: This tag specifies the value of the coupling parameter for the calculation of the chemical potential within the machine learning force field method.


This flag is only used if ML_FF_LCOUPLE_MB=.TRUE. is set.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_LCOUPLE_MB, ML_FF_NATOM_COUPLED_MB, ML_FF_ICOUPLE_MB

Examples that use this tag