[Pw_forum] Re: Xcrysden error

[Tone Kokalj]

On Fri, 2007-04-13 at 04:03 -0400, Eduardo Ariel Menendez P wrote:
> Hi,
> thanks for the replies. However, I want to visualize a .out file, not a
> .xsf.

Any kind of file-format is converted to XSF file. The xsf2xsf is some
internal xcrysden's filter. Because the any-to-xsf conversion is always
there, the xsf2xsf filter is always used. You have the problem with
xsf2xsf (don't know why), so please try to see manually what is going
on, i.e.:

pwo2xsf.sh -lc my_pwscf_output_file.out > file.xsf  
$XCRYSDEN_TOPDIR/bin/xsf2xsf file.xsf output.xsf 3

The first line converts pwscf output file to xsf file, and then you need
to check what is going on with the xsf2xsf (2nd line).

Regards, Tone