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VALUE_MIN and VALUE_MAX

If all values of monitored geometric parameters defined in the file ICONST (STATUS=7) get smaller than VALUE_MIN of larger than VALUE_MAX, the simulation terminates.

VALUE_MIN=[real array] lower limits for monitored coordinates, must be supplied for each geometric parameter with STATUS=7.

VALUE_MAX=[real array] upper limits for monitored coordinates, must be supplied for each geometric parameter with STATUS=7.



N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at