Category:Common Pitfalls: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
 
(18 intermediate revisions by 4 users not shown)
Line 1: Line 1:
*What kind of "technical" errors do exist, an overview: {{TAG|Technical errors}}.
*What kind of "technical" errors do exist, an overview: [[Technical errors]]
*{{TAG|Number of bands NBANDS}}.
*[[Number of bands NBANDS]]
*{{TAG|High quality quantitative versus qualitative calculations}}.
*[[High quality quantitative versus qualitative calculations]]
*{{TAG|Energy cut off and FFT mesh}}.
*[[Energy cut off and FFT mesh]]
*{{TAG|Number of k points and method for smearing}}.
*[[Be careful with the default smearing method (ISMEAR=1)]]
*FAQ:{{TAG|FAQ}}.
*[[Number of k points and method for smearing]]
*[[Performance issues, try NCORE, KPAR, ALGO, LREAL]]
*Wrap-around errors in FFT meshes - convolutions: [[Wrap-around errors]].
*[[Difficult to converge systems]]
<!--*[[FAQ]]-->
----
----


[[Category:VASP|Calculational issues]]
[[Category:VASP|Calculational issues]]

Latest revision as of 09:55, 12 August 2022