[Pw_forum] Error while using Mg PAW potential given on website

savaş ağduk sagduk82 at hotmail.com
Thu Mar 15 16:49:28 CET 2012


Dear Jonathan, 
My message bounced by pw_forum because of file size limitation. Sorry for this. 
I'm not sure about the source of your problem.  The attached files in the mail  I sent yesterday show that online version of Mg paw data properly works on gcc-4.4.5 compiled QE-4.3.2 . 
Savaş AĞDUKKarabuk UniversityPhysics Department
> Date: Thu, 15 Mar 2012 11:25:41 -0400
> From: jptrinastic at phys.ufl.edu
> To: giannozz at democritos.it
> CC: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] Error while using Mg PAW potential given on website
> 
> The version that Savas had attached worked correctly for me.  His 
> version included the exact same content in its body but also had some 
> header info not present in the version online (PP_HEADER and PP_MESH).  
> As an experiment, I tried adding this header information to the version 
> I had that didn't work, and after this it worked properly.
> 
> I'm still working on learning how to build pseudopotentials myself.
> 
> On 3/15/2012 2:40 AM, Paolo Giannozzi wrote:
> >
> > On Mar 15, 2012, at 24:07 , Jonathan Trinastic wrote:
> >
> >> Thanks for the help!  I've got it working now.
> >
> > you've got it workin now...how? what was the problem?
> >
> > P.
> > ---
> > Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> > Phone +39-0432-558216, fax +39-0432-558222
> >
> >
> >
> >
> 
> 
> -- 
> Jonathan Trinastic, M.S.
> Graduate Student
> Department of Physics
> University of Florida
> 
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