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 [[ | 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. | ||
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[[Category:INCAR tag]][[Category: | [[Category:INCAR tag]][[Category:Advanced molecular-dynamics sampling]] | ||
Latest revision as of 14:13, 16 October 2024
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.