VALUE MIN: Difference between revisions

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{{TAGDEF|VALUE_MIN|[real array]}}
{{DISPLAYTITLE:VALUE_MIN}}{{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_flags|-Dtbdyn]]).
Description: {{TAG|VALUE_MIN}} sets the lower limits for the monitoring of geometric parameters (in case VASP was compiled with [[Precompiler options#-Dtbdyn|-Dtbdyn]]).
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For {{TAG|MDALGO}}=1 {{!}} 2, the geometric parameters defined in the {{FILE|ICONST}}-file may be monitored without being subjected to a constraint or bias potential (<tt>STATUS=7</tt> in the {{FILE|ICONST}}-file).
For {{TAG|MDALGO}}=1 {{!}} 2, the geometric parameters defined in the {{FILE|ICONST}} file may be monitored without being subjected to a constraint or bias potential (<tt>STATUS=7</tt> in the {{FILE|ICONST}} file).


If all values of monitored parameters defined in the {{FILE|ICONST}}-file (<tt>STATUS=7</tt>) are smaller than {{TAG|VALUE_MIN}} or larger than {{TAG|VALUE_MAX}}, the simulation terminates.
If all values of monitored parameters defined in the {{FILE|ICONST}} file (<tt>STATUS=7</tt>) are smaller than {{TAG|VALUE_MIN}} or larger than {{TAG|VALUE_MAX}}, the simulation terminates.


Upper limits for monitored coordinates, must be supplied for each geometric parameter in the {{FILE|ICONST}}-file with <tt>STATUS=7</tt>.
Upper limits for monitored coordinates, must be supplied for each geometric parameter in the {{FILE|ICONST}} file with <tt>STATUS=7</tt>.


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|VALUE_MAX}},
{{TAG|VALUE_MAX}},
{{TAG|MDALGO}}
{{TAG|MDALGO}}
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{{sc|VALUE_MIN|Examples|Examples that use this tag}}
{{sc|VALUE_MIN|Examples|Examples that use this tag}}
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[[The_VASP_Manual|Contents]]


[[Category:INCAR]][[Category:Dynamics]]
[[Category:INCAR tag]][[Category:Molecular dynamics]]

Latest revision as of 14:38, 7 April 2022

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 articles

VALUE_MAX, MDALGO

Examples that use this tag