[xcrysden] the display of LDOS

Chun Li xcrysden@democritos.it
Thu, 30 Jun 2005 22:01:39 +0200


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? Thanks a lot.

Best regards.

Chun Li