Category:Common Pitfalls: Difference between revisions
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*What kind of "technical" errors do exist, an overview: | *What kind of "technical" errors do exist, an overview: [[Technical errors]] | ||
* | *[[Number of bands NBANDS]] | ||
* | *[[High quality quantitative versus qualitative calculations]] | ||
* | *[[Energy cut off and FFT mesh]] | ||
*[[Be careful with the default smearing method (ISMEAR=1)]] | *[[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]] | ||
---- | ---- | ||
[[Category:VASP|Calculational issues]] | [[Category:VASP|Calculational issues]] | ||
Revision as of 12:10, 3 November 2020
- What kind of "technical" errors do exist, an overview: Technical errors
- Number of bands NBANDS
- High quality quantitative versus qualitative calculations
- Energy cut off and FFT mesh
- 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
Pages in category "Common Pitfalls"
The following 8 pages are in this category, out of 8 total.