ML_LBASIS_DISCARD
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.
For ML_LBASIS_DISCARD=.FALSE. (default), whenever the number of local reference configurations for a given species would exceed the maximum number of allowed configurations ML_MB, the code will terminate (soft exit) and request the user to continue with and increased number for ML_MB.
For ML_LBASIS_DISCARD=.TRUE. the code will not stop, whenever the number of local reference configurations for a given species would exceed the maximum, but old configurations are replaced by new ones.