[Pw_forum] About "crystal" coordinates

[Tone Kokalj]

On Fri, 2007-08-31 at 14:22 +0700, Alexander Shaposhnikov wrote:
> Could you explain what it does?
> 
> Anyway, i dont think this has anything to do with locale.
> I have english SuSe 10.2.
> Probably this is error in Xcrysden with monoclinic base centered (celldm 13) .
> cell?

You are right, it is a bug. I just found a bug in the pwi2xsf filter
(which transforms the pwscf input to xsf file).

I attach the fix (pwi2xsf.tgz). There are three fotran files + makefile.
Compile the "pwi2xsf" program and copy it to: $XCRSYDEN_TOPDIR/bin

Then try your case. Let me know if the fix works.

Regards, Tone



-------------- next part --------------
A non-text attachment was scrubbed...
Name: pwi2xsf.tgz
Type: application/x-compressed-tar
Size: 6371 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070831/4d5fb37c/attachment.bin>