[Wien] fermi surface including spin-orbital interaction

2011-01-23 Thread liujuan...@sina.com
Dear Prof. Balaha and all wien2k users: nbsp; 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

[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