ESF CONV: Difference between revisions
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{{TAGDEF|ESF_CONV|[real]|0.01}} | {{TAGDEF|ESF_CONV|[real]|0.01}} | ||
Description: Sets the convergence criterion for {{TAG|ESF_SPLINES}}, i.e., | Description: Sets the convergence criterion for {{TAG|ESF_SPLINES}}, i.e., the threshold for the energy difference between two interpolations (in eV). | ||
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If the energy between two interpolated k-point grids is less than {{TAG|ESF_CONV}} the calculation is considered to be converged. If the threshold has not been reached within {{TAG|ESF_NINTER}} iterations VASP will print a warning about insufficient convergence. | If the energy between two interpolated k-point grids is less than {{TAG|ESF_CONV}} the calculation is considered to be converged. If the threshold has not been reached within {{TAG|ESF_NINTER}} iterations VASP will print a warning about insufficient convergence. | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 07:33, 12 June 2024
ESF_CONV = [real]
Default: ESF_CONV = 0.01
Description: Sets the convergence criterion for ESF_SPLINES, i.e., the threshold for the energy difference between two interpolations (in eV).
If the energy between two interpolated k-point grids is less than ESF_CONV the calculation is considered to be converged. If the threshold has not been reached within ESF_NINTER iterations VASP will print a warning about insufficient convergence.
Related tags and articles
ESF_SPLINES, ESF_NINTER, LOPTICS