ML_MB_MIN
ML_MB_MIN = [integer]
Default: ML_MB_MIN = 3
Description: ML_MB_MIN sets the minimum number of local reference configurations required for generation of a machine-learned force field.
Mind: Available as of VASP 6.4.3. Previous versions do not support this tag but act as if its default was ML_MB_MIN = 2.
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Machine-learned force fields based on the kernel method require a reasonable amount of reference atomic environments in order to provide meaningful predictions. Typically, the on-the-fly algorithm in VASP collects these local reference configurations (also called kernel basis functions) during an MD simulation (ML_MODE = train). However, at the start of the trajectory usually only very few local reference configurations are available. How many depends on the system size and symmetry.
Related tags and articles
ML_LMLFF, ML_MODE, ML_MB, ML_MCONF_NEW, ML_MCONF, ML_LBASIS_DISCARD