ESF CONV: Difference between revisions
(Created page with "{{TAGDEF|ESF_CONV|[real]|0.01}} Description: {{TAG|ESF_CONV}} sets the convergence criterion for the tricubic spline interpolation in ACFDT(R) calculations. ---- {{TAG|ESF_CONV}} sets the convergence criterion in the tricubic spline interpolation of the RPA correlation energy. This tag is used in conjunction with {{TAG|ESF_SPLINES}} and {{TAG|ESF_NITER}}. If {{TAG|ESF_SPLINES}}=T is set the RPA correlation energy is interpolated to finer k-point meshes using a tricubic...") |
m (Kaltakm moved page Construction:ESF CONV to ESF CONV) |
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{{DISPLAYTITLE:ESF_CONV}} | |||
{{TAGDEF|ESF_CONV|[real]|0.01}} | {{TAGDEF|ESF_CONV|[real]|0.01}} | ||
Description: {{TAG| | Description: Sets the convergence criterion for {{TAG|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 {{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| | |||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|ESF_SPLINES}}, | {{TAG|ESF_SPLINES}}, | ||
{{TAG| | {{TAG|ESF_NINTER}}, | ||
{{TAG|LOPTICS}} | {{TAG|LOPTICS}} | ||
{{sc|ESF_SPLINES|Examples|Examples that use this tag}} | {{sc|ESF_SPLINES|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:ACFDT]][[Category:Low-scaling GW and RPA]] | <!---[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:ACFDT]][[Category:Low-scaling GW and RPA]] | ||
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