ML_LBASIS_DISCARD

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ML_LBASIS_DISCARD = [logical]
Default: ML_LBASIS_DISCARD = .FALSE. 

Description: Controls whether calculation is continued or stopped after the maximum number of local reference configurations ML_MB for a given species is reached.


= Related tags and articles

Related tags and articles

ML_LMLFF, ML_MB

Examples that use this tag