[Wien] Au 5d DOS with spin-orbit coupling

Hua Wu wu at ph2.uni-koeln.de
Sat Jul 23 17:01:52 CEST 2005


Dear WIEN users,

  I did a simple test about spin-orbit coupling in bulk Au 
with WIEN2k Oct2004 version. While following the manual, 
I cannot get the complete Au 5d DOS (the DOS is terminated
below the Fermi level, but the Au 5d should stride over it), 
although I set up the Emax=4.5--10. Can someone tell me 
how to solve this problem .

thanks in advance -- H. Wu  


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