> Now I am able to perform as per your suggestions. The idea of > determining the spin direction is excellent. It means with Xcrysden, > we cannot check the spin direction. Any idea about other software > which identifies the spin direction.
This is not a 'problem' of xcrysden, it is a fundamental one: without including spin-orbit coupling, you can distinguish between 'up' and 'down' (or majority/minority, or red/blue, or ...), but these do not refer to any absolute direction in space. If the absolute direction really matters for you (usually it doesn't), then either add spin-orbit coupling or use the non-collinear version of wien2k (wienncm). Stefaan
