Category:Common Pitfalls: Difference between revisions

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*{{TAG|Number of bands NBANDS}}.
*What kind of "technical" errors do exist, an overview: [[Technical errors]]
*{{TAG|High quality quantitative versus qualitative calculations}}.
*[[Number of bands NBANDS]]
*What kind of "technical" errors do exist, an overview: {{TAG|Technical errors}}.
*[[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)]]
*[[Number of k points and method for smearing]]
*[[Performance issues, try NCORE, KPAR, ALGO, LREAL]]
*[[Precision, symmetry and POSCAR]]
*Wrap-around errors in FFT meshes - convolutions: [[Wrap-around errors]].
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[[Category:VASP|Calculational issues]]
[[Category:VASP|Calculational issues]]

Revision as of 16:13, 9 February 2021