LWEIGHTED

LWEIGHTED = [logical]
Default: LWEIGHTED = .FALSE. 

Description: LWEIGHTED selects the weighted-cRPA method. Selects the cRPA method of Sasioglu, Friedrich and Blügel 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]

Related tags and articles

LDISENTANGLED, LSCRPA, ALGO

Workflows that use this tag