LDISENTANGLED

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

Description: LDISTENTANGLE selects the disentangled cRPA method.

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Selects the cRPA method of Miyake, Aryasetiawan and Imada. Following screening are subtracted from the full RPA polarizability:

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

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

Related tags and articles

LWEIGHTED, ALGO

Examples that use this tag

References

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