[Pw_forum] Xcrysden display incorrect structure (when using angstrom units)

[Surender]

>
> gfortran pwi2xsf.f pwLatgen.f pwError.f -o pwi2xsf
>
> and then put the so created "pwi2xsf" binary to a proper place,
> which should be either $XCRYSDEN_TOPDIR/bin/ (if you installed one of
> the xcrysden's tarballs from www.xcrysden.org) or the /usr/lib/xcrysden/
> if you are using the Ubuntu/Debian provided xcrysden.
>
> Regards,
> --
> Anton Kokalj
> J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
> (tel: +386-1-477-3523 // fax:+386-1-477-3822)
>

Thank you very much, now it works as expected. The command line issue is
also solved, actually the problem was in my script which I used to call
XCrysDen.

I have one more problem, if I right click on 'black' background then
XCrysDen exit with the following error.

+-----------------------------------------------------------------+

  Version: 1.5.53

  Please report bugs to: tone.kokalj at ijs.si


  TERMS OF USE:
  -------------
  XCRYSDEN is released under the GNU General Public License.

  Whenever graphics generated by XCRYSDEN are used in scientific
  publications, it shall be greatly appreciated to include an explicit
  reference. The preferred form is the following:

  [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003.
        Code available from http://www.xcrysden.org/.

TCL_LIBRARY=/home/surender/src/xcrysden-1.5.53-bin-semishared/external/lib/tcl8.5
XCRYSDEN_TOPDIR=/home/surender/src/xcrysden-1.5.53-bin-semishared
XCRYSDEN_SCRATCH=/home/surender/xcrys_tmp

Running on platform : unix
   Operating system : Linux
Package ImageMagick's convert: /usr/bin/convert
Package ImageMagick's import: /usr/bin/import
Package Mencoder: /usr/bin/mencoder
Package Ppmtompeg: /usr/bin/ppmtompeg
Package Babel: /usr/bin/babel
Package Xwd: /usr/bin/xwd
Executing: /home/surender/src/xcrysden-1.5.53-bin-semishared/bin/ftnunit
TEXT-WIDGET: .a1.f1.t
Executing: sh
/home/surender/src/xcrysden-1.5.53-bin-semishared/scripts/pwi2xsf.sh
/home/surender/src/xcrysden-1.5.53-bin-semishared/cu.scf.in
reading PRIMCOORD
Number of Atoms:  0
Number of Frames: 0
Estimated number of bonds = 0
sInfo(dim) = 3; periodic(dim) = 3
Executing: /home/surender/src/xcrysden-1.5.53-bin-semishared/bin/gengeom 0
1 11 1 1 1 1 xc_gengeom.4033
/home/surender/xcrys_tmp/xc_4033/pwi2xsf.xsf_out.raw
Executing: /home/surender/src/xcrysden-1.5.53-bin-semishared/bin/gengeom 2
1 11 1 1 1 1 /home/surender/xcrys_tmp/xc_4033/xc_struc.4033
/home/surender/xcrys_tmp/xc_4033/pwi2xsf.xsf_out.raw
reading PRIMCOORD
reading CONVCOORD
Number of Atoms:  14
Number of Frames: 12
natoms: 14 , ndel: 0
Filtered number of atoms: 14
Estimated number of bonds = 72
sInfo(dim) = 3; periodic(dim) = 3
X Error of failed request:  BadValue (integer parameter out of range for
operation)
  Major opcode of failed request:  91 (X_QueryColors)
  Value in failed request:  0xff000000
  Serial number of failed request:  8079
  Current serial number in output stream:  8079
+-----------------------------------------------------------------+

I am using pre-compiled semi-shared version downloaded from
http://www.xcrysden.org/download/xcrysden-1.5.53-linux_x86_64-semishared.tar.gz
The input file is also attached.

Regards,
Surender
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