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

Jonathan Trinastic jptrinastic at phys.ufl.edu
Thu Mar 15 16:25:41 CET 2012


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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