The ABINIT Users Mailing List ( CLOSED )

["Matteo Giantomassi" <Matteo.Giantomassi@uclouvain.be>]

> Dear all,
>
> Does anybody know if EXC is compatible with using symchi=1 and awtr=1 when
> calculating the screening matrix (optdriver=3), and symsigma=1 and awtr=1
> when calculating the GW corrections (optdriver=4)? Those parameters can
> save really a lot of time when doing the Abinit calculations. But from the
> EXC documentation, it is not clear if one can use them to calculate the
> input files for EXC.
>
> Thanks for any information on this.
>

 Dear Rolando,


 The use of symchi, awtr, and symsigma is fully compatible with EXC.
 Their use do not affect the file format of the output files produced
 by the GW part of part (SCR files and output files with the corrections).
 Therefore one can use the abinit results to perform an excitonic
 calculations with EXC-

 BTW: Note that awtr=1 has a meaning only in the case of screening
 calculations as it refers to the expression used to calculate
 the RPA polarizability.

> Best regards,
> Rolando Saniz
>
>
>
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