[xcrysden] Problem reading xsf file

[Tone Kokalj]

On Wed, 2007-06-06 at 11:06 -0400, Scott Beckman wrote:
> Abu,
> 
> The xsf file you included is missing the first line beneath the  
> keyword "PRIMCOORD".  The first line following PRIMCOORD should be  
> (in this case):
> 
> 13  1

In addition to that the file had another problem related to lattice
vectors specification. In particular:

CRYSTAL
CONVVEC
    7.0000000000    0.0000000000    0.0000000000
    0.0000000000    3.0000000000    0.0000000000
    0.0000000000    0.0000000000    3.0000000000
PRIMCOORD
...

Note that PRIMVEC section is mandatory, whereas CONVVEC section is
optional. This implies that above "CONVVEC" keyword should be tranformed
to "PRIMVEC".

Regards, Tone