ESF CONV: Difference between revisions
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Latest revision as of 14:08, 18 December 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