LDISENTANGLED: Difference between revisions

Latest revision as of 12:33, 30 October 2023

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

Description: Selects the disentangled cRPA method.

Selects the cRPA method of Miyake, Aryasetiawan, and Imada^[1]. Following screening is subtracted from the full RPA polarizability:

{\displaystyle \tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)= \frac 1{N_k}\sum_{\bf k}\sum_{nn'\in{\cal T}} \frac{ f_{n\bf k}-f_{n'\bf k-q} }{ \tilde\epsilon_{n{\bf k}} - \tilde\epsilon_{n'\bf k-q} - i \omega } \langle \tilde u_{n {\bf k }}^{\sigma } |e^{-i \bf (G+q) r}| \tilde u_{n'{\bf k-q}}^{ \sigma' } \rangle \langle \tilde u_{n' {\bf k-q}}^{\sigma' } |e^{-i \bf (G'-q)r'} | \tilde u_{n{\bf k }}^{ \sigma } \rangle }

,

where $\tilde \epsilon_{n\bf k}^\sigma$ is the disentangled band structure.

@@ Line 1: / Line 1: @@
-{{TAGDEF|LDISENTANGLE|[logical]|.FALSE.}}
+{{TAGDEF|LDISENTANGLED|[logical]|.FALSE.}}
-Description: {{TAG|LDISENTANGLE}} selects the [[Constrained–random-phase–approximation_formalism#Disentangled_method|disentangled cRPA method]].
+Description: Selects the [[Constrained–random-phase–approximation_formalism#Disentangled_method|disentangled cRPA method]].
 ----
-Selects the cRPA method of Miyake, Aryasetiawan and Imada{{cite|miyake:prb:80}}. Following screening are subtracted from the full RPA polarizability:
+Selects the cRPA method of Miyake, Aryasetiawan, and Imada{{cite|miyake:prb:80}}. Following screening is subtracted from the full RPA polarizability:
 ::<math>\tilde  \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)=
 \frac 1{N_k}\sum_{\bf k}\sum_{nn'\in{\cal T}}
@@ Line 28: / Line 28: @@
 {{TAG|ALGO}}
-{{sc|LDISENTANGLE|Examples|Examples that use this tag}}
+{{sc|LDISENTANGLED|Examples|Examples that use this tag}}
 == References ==
 <references/>
-----
-[[The_VASP_Manual|Contents]]
 [[Category:INCAR_tag]][[Category:Constrained-random-phase approximation]]
-<!-- Link to categrories like this: [[Category:INCAR]][[Category:Constrained-random-phase approximation]] -->