LANCZOSTHR: Difference between revisions
(Created page with "{TAGDEF|LANCZOSTHR|[real]}} {{DEF|LANCZOSTHR| <math>10^{-3}</math> | }} Description: {{TAG|LANCZOSTHR}} is used by the BSE Lanczos algorithm to stop the iterative procedure, once the dielectric function has reached numerical convergence. The difference between the dielectric function at two consecutive iterations, <math>i</math> and <math>i+1</math> is computed as root-mean-square over the frequency grid sampling ::<math> \mathrm{RMS}[\epsilon] = \sqrt{\sum_{j=1}^N\le...") |
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and once <math>\mathrm{RMS}[\epsilon]<=</math>LANCZOSTHR the iterative procedure stops. | and once <math>\mathrm{RMS}[\epsilon]<=</math>LANCZOSTHR the iterative procedure stops. | ||
== Related tag and articles == | == Related tag and articles == | ||
{{TAG| | {{TAG|BSE}}, | ||
[[BSE calculations]], | [[BSE calculations]], | ||
[[Bethe-Salpeter equations]] | [[Bethe-Salpeter equations]] | ||
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[[Category:INCAR tag]][[Category:Bethe-Salpeter equations]][[Category:Many-body perturbation theory]] | |||
Revision as of 10:06, 3 October 2024
{TAGDEF|LANCZOSTHR|[real]}}
| Default: LANCZOSTHR | = |
Description: LANCZOSTHR is used by the BSE Lanczos algorithm to stop the iterative procedure, once the dielectric function has reached numerical convergence.
The difference between the dielectric function at two consecutive iterations, and is computed as root-mean-square over the frequency grid sampling
and once LANCZOSTHR the iterative procedure stops.
Related tag and articles
BSE, BSE calculations, Bethe-Salpeter equations