ESF CONV: Difference between revisions

From VASP Wiki
No edit summary
m (Kaltakm moved page Construction:ESF CONV to ESF CONV)
 
(2 intermediate revisions by one other user not shown)
Line 1: Line 1:
{{DISPLAYTITLE:ESF_CONV}}
{{TAGDEF|ESF_CONV|[real]|0.01}}
{{TAGDEF|ESF_CONV|[real]|0.01}}


Line 12: Line 13:


{{sc|ESF_SPLINES|Examples|Examples that use this tag}}
{{sc|ESF_SPLINES|Examples|Examples that use this tag}}
==References==


<!---[[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

Examples that use this tag