Requests for technical support from the VASP group should be posted in the VASP-forum.
Difference between revisions of "ML FF RCOUPLE MB"
From Vaspwiki
Jump to navigationJump to search| Line 1: | Line 1: | ||
{{TAGDEF|ML_FF_RCOUPLE_MB|[real]|1.0}} | {{TAGDEF|ML_FF_RCOUPLE_MB|[real]|1.0}} | ||
| − | Description: | + | 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 {{TAG|ML_FF_LCOUPLE_MB}}=.TRUE. is set. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 08:24, 21 May 2019
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
