[Pw_forum] Xcrysden error

Tone Kokalj tone.kokalj at ijs.si
Thu Apr 12 11:08:06 CEST 2007


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)




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