[xcrysden] the display of LDOS

Tone Kokalj xcrysden@democritos.it
Tue, 19 Jul 2005 14:11:35 +0200


On Thu, 2005-06-30 at 22:01 +0200, Chun Li wrote:
> Dear all,
> 
> When I try to plot the isosurface of LDOS of hexagonal unit cell by
> reading the XSF file, the position of the isosurface is not consistent
> with that of the atoms. It seems that there exists a rotation angle (30
> degree?) between the original unit cell and the "unit cell" of the
> isosurface. Is there anyone who used to encounter this kind of problems?
> Could you tell me how to solve it?

(( This is a very late reply: I've been on the summer vacations. ))

This is the first time I hear such a problem. To trace down the problem
I will need some more info, in particular, how the XSF file was created.
This description together with the XSF file itself would help much ...

Regards, Tone