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| (One intermediate revision by the same user not shown) | |||
| Line 12: | Line 12: | ||
---- | ---- | ||
| − | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: | + | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] |
Latest revision as of 15:21, 29 February 2020
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
