[Pw_forum] File Error of GIPAW module

[Bingwen Hu]

Dear Gorank，
  Thank you for your help. I see where is  the problem.

Best
Bingwen





________________________________
From: Goranka Bilalbegovic <gbilalbegovic at gmail.com>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Tue, March 2, 2010 7:27:57 PM
Subject: Re: [Pw_forum] File Error of GIPAW module

On Tue, Mar 2, 2010 at 5:08 AM, Bingwen Hu <bw.hu at yahoo.com> wrote:
   I have attached the input file for the PWSC. All the pseudo potentials I used are downloaded in the quantum-espresso website http://www.quantum-espresso.org/pseudo.php.
  Thank you for your help in advance.



Dear Bingwen,

NMR calculations in Quantum Espresso are implemented within the GIPAW model. These calculations are possible only if we use a special kind of GIPAW pseudopotentials, and not all pseudopotentials available on the QE pp page.

Plese check the video/presentation lecture by Ari Seitsonen on: http://www.quantum-espresso.org/wiki/index.php/QESB09 and read several articles referenced there.  Also plese search QE mailing list for "GIPAW".


Best regards,
Goranka Bilalbegovic
Department of Physics,
Faculty of Science, University of Zagreb
Croatia



      
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