LWEIGHTED

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

Description: LWEIGHTED selects the weighted cRPA method.

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

${\tilde {\chi }}_{{\bf {G,G}}'}^{\sigma }({\bf {q}},i\omega )\approx {\frac {1}{N_{k}}}\sum _{nn'{\bf {k}}}{\frac {f_{n{\bf {k}}}-f_{n'{\bf {k-q}}}}{\epsilon _{n{\bf {k}}}-\epsilon _{n'{\bf {k-q}}}-i\omega }}p_{n{\bf {k}}}^{\sigma }p_{n'{\bf {k-p}}}^{\sigma '}\langle u_{n{\bf {k}}}^{\sigma }|e^{-i{\bf {(G+q)r}}}|u_{n'{\bf {k-q}}}^{\sigma '}\rangle \langle u_{n'{\bf {k-q}}}^{\sigma '}|e^{-i{\bf {(G'-q)r'}}}|u_{n'{\bf {k}}}^{\sigma }\rangle$

Related tags and articles

LDISENTANGLE, ALGO

Examples that use this tag

References

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