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VALUE MIN

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VALUE_MIN = [real array] 

Description: VALUE_MIN sets the lower limits for the monitoring of geometric parameters (in case VASP was compiled with -Dtbdyn).


For MDALGO=1 | 2, the geometric parameters defined in the ICONST-file may be monitored without being subjected to a constraint or bias potential (STATUS=7 in the ICONST-file).

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

Upper limits for monitored coordinates, must be supplied for each geometric parameter in the ICONST-file with STATUS=7.

Related Tags and Sections

VALUE_MAX, MDALGO

Examples that use this tag