[Wien] fermi surface including spin-orbital interaction

2011-01-23 Thread liujuan...@sina.com
ds and Thanks, yours sincerely K. L. Yao -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110123/afd6588f/attachment.htm>

[Wien] fermi surface including spin-orbital interaction

2011-01-23 Thread Jian-Xin Zhu
Hi, The commands in xcrysden are basic. For cases with spin-orbit coupling, one simplest way to get around is to fool the xcrysden by copying case,outputso to case.output1 and proceeding to plot the Fermi surface (that is, forgetting the steps like x lapw1 -c - up etc.). An alternative is to m