Category:Common Pitfalls: Difference between revisions
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*What kind of "technical" errors do exist, an overview: {{TAG|Technical errors}}. | *What kind of "technical" errors do exist, an overview: {{TAG|Technical errors}}. | ||
*{{TAG|Number of bands NBANDS}}. | *{{TAG|Number of bands NBANDS}}. | ||
*{{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|Smearing be careful with the default ISMEAR}}. | |||
*{{TAG|Number of k points and method for smearing}}. | *{{TAG|Number of k points and method for smearing}}. | ||
*{{TAG|Performance issues, NCORE, KPAR, ALGO}}. | |||
*{{TAG|FAQ}}. | *{{TAG|FAQ}}. | ||
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[[Category:VASP|Calculational issues]] | [[Category:VASP|Calculational issues]] | ||
Revision as of 13:29, 14 October 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.
- Smearing be careful with the default ISMEAR.
- Number of k points and method for smearing.
- Performance issues, NCORE, KPAR, ALGO.
- FAQ.
Pages in category "Common Pitfalls"
The following 8 pages are in this category, out of 8 total.