Dear Prof. Steefan,<div> Now my structure is working fine. The absolute direction doesn't matter to me but of course I am trying to view the picture of spins of the selected atoms under various AFM configuration like neel, stripe and zigzag. I mean if I can show the spin up as <span style="font-size:14pt;font-family:'Times New Roman'"><b>↑ </b></span>and spin down as<span style="font-size:14pt;font-family:'Times New Roman'"><b> </b><b>↓</b></span> in my crystal structure, it will be easy to understand.</div>
<div>Thanks a lot for your useful comments</div><div>M. P. Ghimire</div><div><br><div class="gmail_quote">On Fri, Jul 6, 2012 at 6:55 PM, Stefaan Cottenier <span dir="ltr"><<a href="mailto:Stefaan.Cottenier@ugent.be" target="_blank">Stefaan.Cottenier@ugent.be</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im"><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Now I am able to perform as per your suggestions. The idea of<br>
determining the spin direction is excellent. It means with Xcrysden,<br>
we cannot check the spin direction. Any idea about other software<br>
which identifies the spin direction.<br>
</blockquote>
<br></div>
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.<br>
<br>
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).<span class="HOEnZb"><font color="#888888"><br>
<br>
Stefaan</font></span><div class="HOEnZb"><div class="h5"><br>
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</div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br>M. P. Ghimire<br><br>
</div>