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Difference between revisions of "ML FF RCOUPLE MB"
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
Revision as of 11:03, 30 January 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.