[Pw_forum] GIPAW in QE 5.0.2
escherichiarobi at hotmail.it
Fri Apr 11 17:41:46 CEST 2014
Thank you very much.
> Date: Fri, 11 Apr 2014 15:51:24 +0200
> From: davide.ceresoli at istm.cnr.it
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] GIPAW in QE 5.0.2
> Dear Roberta,
> there is qe-gipaw-5.0.3 prepared for the last Cecam tutorial in Zurich.
> Here is the link:
> It can't handle metals yet. I'm working on it but I've got weird results
> depending on the smearing scheme (gaussian vs cold vs fermi-dirac).
> On 04/10/2014 01:07 PM, roberta wrote:
> > Dear all,
> > does a qe-gipaw implementation exist for quantumEspresso 5.0.2 (corrected to
> > 5.0.3 through espresso-5.0.2-5.0.3.diff)? If so, can it handle with metallic
> > systems?
> > Best regards,
> > Roberta
> > PhD student - University of Cambridge
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