Category:Common Pitfalls: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 3: Line 3:
*{{TAG|High quality quantitative versus qualitative calculations}}.
*{{TAG|High quality quantitative versus qualitative calculations}}.
*{{TAG|Energy cut off and FFT mesh}}.
*{{TAG|Energy cut off and FFT mesh}}.
*{{TAG|Be careful with the default smearing method \(ISMEAR=1\)}}.
*{{TAG|Be careful with the default smearing method_(ISMEAR=1)}}.
*{{TAG|Number of k points and method for smearing}}.
*{{TAG|Number of k points and method for smearing}}.
*{{TAG|Performance issues, try NCORE, KPAR, ALGO, LREAL}}.
*{{TAG|Performance issues, try NCORE, KPAR, ALGO, LREAL}}.

Revision as of 12:08, 3 November 2020