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Re: [abinit-forum] GW code: question of possible compatibility

From: "Matteo Giantomassi" <Matteo.Giantomassi@uclouvain.be>
To: forum@abinit.org
Subject: Re: [abinit-forum] GW code: question of possible compatibility
Date: Mon, 30 Jun 2008 16:14:57 +0200 (CEST)
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> Dear all
>
> is there any chance of using the result of a different DFT planewave code
> (density and wavefunctions) as starting point for carrying out GW
> calculations
> using ABINIT? i am thinking of CPMD.
>
Dear Manuel,

In previous (old) versions of the GW code there were interfaces with
external files written by other ab-inito codes. For example it was
possible to read the so-called QPLDA file that can be produced
using the PWscf code. I have to say however that this part
is not supported anymore, also because there are no automatic tests
to check the reliability of the implementation.

For sure the new developments included in abinis, starting version 5.2,
have introduced serious incompatibilities with these external
file formats. To be on the safe side. I suggest using the
standard KSS file in order to perform your GW calculations.

Regards,
Matteo Giantomassi

> regards
>
> Manuel Pérez Jigato
> KU Leuven
>
> Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
>
>

[abinit-forum] GW code: question of possible compatibility, Manuel Pérez Jigato, 06/28/2008
- Re: [abinit-forum] GW code: question of possible compatibility, Matteo Giantomassi, 06/30/2008