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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Revision as of 14:24, 2 October 2024
{TAGDEF|LANCZOSTHR|[real]}}
| Default: LANCZOSTHR | = [math]\displaystyle{ 10^{-3} }[/math] |
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, [math]\displaystyle{ i }[/math] and [math]\displaystyle{ i+1 }[/math] is computed as root-mean-square over the frequency grid sampling
- [math]\displaystyle{ \mathrm{RMS}[\epsilon] = \sqrt{\sum_{j=1}^N\left[\epsilon_{i}(\omega_j)-\epsilon_{i+1}(\omega_j)\right]^2} }[/math]
and once [math]\displaystyle{ \mathrm{RMS}[\epsilon]\lt = }[/math]LANCZOSTHR the iterative procedure stops.
Related tag and articles
IBSE, BSEPREC, NBANDSV, NBANDSO, CSHIFT, OMEGAMAX, BSE calculations, Bethe-Salpeter equations