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Difference between revisions of "Category:Common Pitfalls"

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*{{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