[Pw_forum] GIPAW in QE 5.0.2

2014-04-11 Thread roberta
Thank you very much. Regards, Roberta > 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 tutor

[Pw_forum] GIPAW in QE 5.0.2

2014-04-11 Thread Davide Ceresoli
Dear Roberta, there is qe-gipaw-5.0.3 prepared for the last Cecam tutorial in Zurich. Here is the link: https://drive.google.com/folderview?id=0BxmE1NC-2O4wRXVmeXJFdHUwZDg=sharing It can't handle metals yet. I'm working on it but I've got weird results depending on the smearing scheme

[Pw_forum] GIPAW in QE 5.0.2

2014-04-10 Thread roberta
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 --