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]]
*[[Be careful with the default smearing method (ISMEAR=1)]].
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*[[Be careful with the default smearing method (ISMEAR=1)]]
*{{TAG|Number of k points and method for smearing}}.
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*[[Number of k points and method for smearing]]
*{{TAG|Performance issues, try NCORE, KPAR, ALGO, LREAL}}.
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*[[Performance issues, try NCORE, KPAR, ALGO, LREAL]]
*{{TAG|Precision, symmetry and POSCAR}}.
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*[[Precision, symmetry and POSCAR]]
*{{TAG|FAQ}}.
 
 
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[[Category:VASP|Calculational issues]]
 
[[Category:VASP|Calculational issues]]

Revision as of 12:10, 3 November 2020