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 abinit output files
 that are required to perform an excitonic calculations with EXC-
 (SCR files and output files with the QP corrections).

 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
 Matteo Giantomassi