LDISENTANGLED: Difference between revisions
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{{TAGDEF| | {{TAGDEF|LDISENTANGLE|[logical]|.FALSE.}} | ||
Description: {{TAG| | Description: {{TAG|LDISENTANGLE}} selects the [[Constrained–random-phase–approximation_formalism#Disentangled_method|disentangled cRPA method]]. | ||
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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 are subtracted from the full RPA polarizability: | ||
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{{TAG|ALGO}} | {{TAG|ALGO}} | ||
{{sc| | {{sc|LDISENTANGLE|Examples|Examples that use this tag}} | ||
== References == | == References == | ||
Revision as of 16:33, 8 April 2022
LDISENTANGLE = [logical]
Default: LDISENTANGLE = .FALSE.
Description: LDISENTANGLE selects the disentangled cRPA method.
Selects the cRPA method of Miyake, Aryasetiawan and Imada[1]. Following screening are subtracted from the full RPA polarizability:
- [math]\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 }[/math],
where [math]\displaystyle{ \tilde \epsilon_{n\bf k}^\sigma }[/math] is the disentangled band structure.