Requests for technical support from the VASP group should be posted in the VASP-forum.
Difference between revisions of "ML FF NATOM COUPLED MB"
From Vaspwiki
Jump to navigationJump to search| Line 10: | Line 10: | ||
---- | ---- | ||
| − | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields | + | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] |
Revision as of 11:01, 30 January 2020
ML_FF_NATOM_COUPLED_MB = [integer]
Default: ML_FF_NATOM_COUPLED_MB = 1
Description: This tag specifies the number of atoms for which a coupling parameter is introduced to calculate the chemical potential within the machine learning force field method.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_LCOUPLE_MB, ML_FF_ICOUPLE_MB, ML_FF_RCOUPLE_MB
