[Pw_forum] Re: Xcrysden error

[Eduardo Ariel Menendez P]

Hi,
thanks for the replies. However, I want to visualize a .out file, not a
.xsf.
Please, note that the .inp files of PWSCF are visualized fine, the problem
is with the .out files .
May this be related to a particular configuration of PC-s at the ICTP? As
far as I remember, I did not have this problem at home.
Regards
Eduardo
>
> On Wed, April 11, 2007 23:32, Eduardo Ariel Menendez P wrote:
> > "exec $system(BINDIR)/xsf2xsf $filedir $filedir.raw 3"
>
> I found the program xsf2xsf included in xcrysden to be the source of many
> problems: as far a s I remember it uses a very small buffer to read the
> input one line at a time; if one line is too long than it usually causes
> some nasty errors.
>
> You can try to run it by hand and see what happens, you will find it in
> the bin/ or script/ directory in XCD instalaltion.
>
> --
> Lorenzo Paulatto
> +39 040 3787 312
> http://people.sissa.it/~paulatto/
>
>
> On Thu, 2007-04-12 at 09:17 +0200, Lorenzo Paulatto wrote:
> > I found the program xsf2xsf included in xcrysden to be the source of many
> > problems: as far a s I remember it uses a very small buffer to read the
> > input one line at a time; if one line is too long than it usually causes
> > some nasty errors.
>
> Good suggestion, thanks. This should be changed/improved.
>
> Regards, Tone
>
> PS: the xsf2xsf can be run manually as:
>
> $XCRYSDEN_TOPDIR/bin/xsf2xsf input.xsf output.xsf reduced_dim
>
> where reduced_dim = 3, 2, 1 or 0 (=crystal, slab, polymer, and molecule,
> respectively)
>
>
> --__--__--
>