SCALEE: Difference between revisions
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[[Category:INCAR tag | [[Category:INCAR tag]][[Category:Advanced molecular-dynamics sampling]] | ||
Latest revision as of 14:05, 16 October 2024
SCALEE = [real]
Default: SCALEE = 1
Description: This tag specifies the coupling parameter of the energies and forces between a fully interacting system and a reference system.
The tag SCALEE sets the coupling parameter [math]\displaystyle{ \lambda }[/math] and hence controls the Hamiltonian of the calculation. By default SCALEE=1 and the scaling of the energies and forces via the coupling constant is internally skipped in the code. To enable the scaling SCALEE[math]\displaystyle{ \ne }[/math]1 has to be specified.
More information using this tag is given here.
Related tags and articles
VCAIMAGES, IMAGES, NCORE IN IMAGE1, PHON_NSTRUCT, IBRION