LWEIGHTED: Difference between revisions
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[[Category:INCAR_tag]][[Category:Constrained-random-phase approximation]] | [[Category:INCAR_tag]][[Category:Constrained-random-phase approximation]] | ||
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Revision as of 08:58, 20 October 2023
LWEIGHTED = [logical]
Default: LWEIGHTED = .FALSE.
Description: LWEIGHTED selects the weighted cRPA method.
Selects the cRPA method of Sasioglu, Friedrich and Blügel[1] where following screening are 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]