[Pw_forum] XCRYSDEN problem readinf PW4 output

[Tone Kokalj]

On Mon, 2008-10-13 at 10:03 +0200, Marcello Rosini wrote:
> Hi everybody,
> I had a problem with xcrysden when reading the output of a pw 4.* 
> relaxation. The problem is that in the output also the fixed flags of 
> the atom coordinates are present, while it was not so in the previous 
> versions.

Indeed so. The xcrysden 1.4.* version cannot handle it due to the reason
you describe, but the "latest-snapshot" version can
http://www.xcrysden.org/download/xc-latest-linuxPC-semishared.tar.gz

> I modified few lines in the source code, in order to make xcrysden able 
> to work in this case.
> You can find the modified code here:
> http://cdm.unimo.it/home/fisica/rosini.marcello/scr.tar.gz

Very good!

Regards, Tone
-- 
Tone Kokalj <tone.kokalj at ijs.si>
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel:
+386-1-477-3523 // fax:+386-1-477-3822)