LWEIGHTED: Difference between revisions
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{{TAGDEF|LWEIGHTED|[logical]|.FALSE.}} | {{TAGDEF|LWEIGHTED|[logical]|.FALSE.}} | ||
Description: {{TAG|LWEIGHTED}} selects the [[Constrained–random-phase–approximation_formalism#Weighted-cRPA_method_(w-cRPA)|weighted-cRPA method]]. | Description: {{TAG|LWEIGHTED}} selects the [[Constrained–random-phase–approximation_formalism#Weighted-cRPA_method_(w-cRPA)|weighted-cRPA method]]. | ||
Selects the cRPA method of Sasioglu, Friedrich and Blügel{{cite|sasioglu:prb:83}} where the following screening contribution is subtracted from the full RPA polarizability: | Selects the cRPA method of Sasioglu, Friedrich and Blügel{{cite|sasioglu:prb:83}} where the following screening contribution is subtracted from the full RPA polarizability: | ||
::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx | ::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx | ||
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\rangle | \rangle | ||
</math> | </math> | ||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|LDISENTANGLED}}, | {{TAG|LDISENTANGLED}}, | ||
Revision as of 09:37, 20 March 2026
LWEIGHTED = [logical]
Default: LWEIGHTED = .FALSE.
Description: LWEIGHTED selects the weighted-cRPA method.
Selects the cRPA method of Sasioglu, Friedrich and Blügel[1] where the following screening contribution is subtracted from the full RPA polarizability:
- [math]\displaystyle{ \tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx \frac 1{N_k}\sum_{nn'{\bf k}} \frac{ f_{n\bf k}-f_{n'\bf k-q} }{ \epsilon_{n{\bf k}} - \epsilon_{n'\bf k-q} - i \omega } p_{n\bf k }^{\sigma} p_{n'\bf k-p }^{\sigma'} \langle u_{n {\bf k }}^{\sigma } |e^{-i \bf (G+q) r}| u_{n'{\bf k-q}}^{ \sigma' } \rangle \langle u_{n' {\bf k-q}}^{\sigma' } |e^{-i \bf (G'-q)r'} | u_{n'{\bf k }}^{ \sigma } \rangle }[/math]