INCREM: Difference between revisions

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Description: {{TAG|INCREM}} controls the transformation velocity in the slow-growth approach (in case VASP was compiled with [[Precompiler options#-Dtbdyn|-Dtbdyn]]).
Description: {{TAG|INCREM}} controls the transformation velocity in the slow-growth approach (in case VASP was compiled with [[Precompiler options#-Dtbdyn|-Dtbdyn]]).
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In [[MDALGO#Slowgro|slow-growth simulations]] ({{TAG|MDALGO}}=1 {{!}} 2), the value of each controlled geometric parameter with <tt>STATUS=0</tt> is increased by {{TAG|INCREM}} in every simulation step.
In [[Slow-growth_approach|slow-growth simulations]] ({{TAG|MDALGO}}=1 {{!}} 2), the value of each controlled geometric parameter with <tt>STATUS=0</tt> is increased by {{TAG|INCREM}} in every simulation step.


It must be supplied for each controlled geometric parameter for which <tt>STATUS=0</tt> was specified in the {{FILE|ICONST}}-file.
It must be supplied for each controlled geometric parameter for which <tt>STATUS=0</tt> was specified in the {{FILE|ICONST}}-file.

Latest revision as of 10:26, 16 November 2023

INCREM = [real array]
Default: INCREM = 0 

Description: INCREM controls the transformation velocity in the slow-growth approach (in case VASP was compiled with -Dtbdyn).


In slow-growth simulations (MDALGO=1 | 2), the value of each controlled geometric parameter with STATUS=0 is increased by INCREM in every simulation step.

It must be supplied for each controlled geometric parameter for which STATUS=0 was specified in the ICONST-file.

Related tags and articles

MDALGO, ICONST

Examples that use this tag