[Wien] global energy parameter
    stargmoon 
    stargmoon at yahoo.com
       
    Wed Aug 13 23:32:55 CEST 2003
    
    
  
Dear WIEN2k users,
 
For my calculated system, the Fermi energy of the self-consistent solution is smaller than my global energy parameter. And there are no ghost bands. It seems that I don't understand what the global energy parameter does mean, because for each orbital 'l' there is a corresponding energy parameter El. Why do we need an extra global energy parameter? Am I right? And whether the wrong energy parameters are both sufficient and necessary for the ghost bands?
 
Best,
 
Stargmoon
---------------------------------
Do you Yahoo!?
Free online calendar with sync to Outlook(TM).
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20030813/61f95661/attachment.html
    
    
More information about the Wien
mailing list