VALUE MIN: Difference between revisions
Vaspmaster (talk | contribs) (Created page with '{{TAGDEF|VALUE_MIN|[real array]}} Description: {{TAG|VALUE_MIN}} sets the lower limits for the monitoring of geometric parameters (in case VASP was compiled with [[Precompiler_f…') |
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{{TAG|MDALGO}} | {{TAG|MDALGO}} | ||
{{sc|VALUE_MIN|Examples|Examples that use this tag}} | |||
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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]][[Category:Dynamics]] | [[Category:INCAR]][[Category:Dynamics]] | ||
Revision as of 13:15, 20 March 2017
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.