LWEIGHTED: Difference between revisions

Revision as of 08:58, 16 August 2022

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

Selects the cRPA method of Sasioglu, Friedrich and Blügel^[1] where following screening are subtracted from the full RPA polarizability:

{\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 }

@@ Line 34: / Line 34: @@
 ----
 [[The_VASP_Manual|Contents]]
-[[Category:INCAR]][[Category:Constrained-random-phase approximation]]
+[[Category:INCAR_tag]][[Category:Constrained-random-phase approximation]]
 <!-- Link to categrories like this: [[Category:INCAR]][[Category:Constrained-random-phase approximation]] -->