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

Jonathan Trinastic jptrinastic at phys.ufl.edu
Thu Mar 15 00:07:57 CET 2012


Thanks for the help!  I've got it working now.

On 3/14/2012 4:50 PM, Paolo Giannozzi wrote:
>
> On Mar 14, 2012, at 13:00 , Jonathan Trinastic wrote:
>
>> In the meantime, does anyone know a quick fix for this potential.
>> Its formatting is a little different compared to other potentials in
>> UPF format on the website.
>
> there is nothing to fix: its format is a most recent version.
> However you may want to check whether "UTF-8 Unicode"
> (whatever it means) characters in file are a source of problem
> (I don't see why, but I also don't see why CR-LF characters
> should be a source of problem: they are on AIX machines).
> Just edit the file, replace the line Author="..." with something
> not containing non-ASCII character, save
>
> 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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