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

Paolo Giannozzi giannozz at democritos.it
Wed Mar 14 21:50:12 CET 2012


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







More information about the users mailing list