[Wien] Fermi level
stargmoon
stargmoon at yahoo.com
Tue Jul 18 20:15:47 CEST 2006
Dear wien2k community,
Recently I met a weird problem. The converged scf result had different Fermi levels for spin-up and spin-down states. It looks to me that there are no ghost states (no big QTL-B values) existing in my calculations. Could you please suggest me what I should check when this problem happens?
Your reply will be highly appreciated!
Stargmoon
---------------------------------
Do you Yahoo!?
Next-gen email? Have it all with the all-new Yahoo! Mail Beta.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060718/a19952a9/attachment.html
More information about the Wien
mailing list