Dear Prof. Balaha and all wien2k users: I have done a calculation with -orb and -SO(spin-orbital coupling). When I plot the Fermi Surface throughout the XCrySDen, the acquiescent command in xcrysden is "x lapw1 -c up" and "x lapw2 -c -up -fermi". My question is the fermi surface in xcrysden will include the -orb and -SO interaction? If I want to get the orb and SO effects on fermi surface, should I change the command to "x lapw1 -orb -c up" and "x lapw2 -so -c -up -fermi"? If so, how can I realize it in xcrysden ?
With kind regards 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>
