Requests for technical support from the VASP group should be posted in the VASP-forum.

Difference between revisions of "Category:Common Pitfalls"

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*What kind of "technical" errors do exist, an overview: {{TAG|Technical errors}}.
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*What kind of "technical" errors do exist, an overview: [[Technical errors]]
*{{TAG|Number of bands NBANDS}}.
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*[[Number of bands NBANDS]]
*{{TAG|High quality quantitative versus qualitative calculations}}.
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*[[High quality quantitative versus qualitative calculations]]
*{{TAG|Energy cut off and FFT mesh}}.
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*[[Energy cut off and FFT mesh]]
*{{TAG|Number of k points and method for smearing}}.
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*[[Be careful with the default smearing method (ISMEAR=1)]]
*FAQ: {{TAG|FAQ}}.
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*[[Number of k points and method for smearing]]
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*[[Performance issues, try NCORE, KPAR, ALGO, LREAL]]
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*[[Precision, symmetry and POSCAR]]
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*Wrap-around errors in FFT meshes - convolutions: [[Wrap-around errors]].
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<!--*[[FAQ]]-->
 
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[[Category:VASP|Calculational issues]]
 
[[Category:VASP|Calculational issues]]

Latest revision as of 16:13, 9 February 2021