[Wien] GAUSS method to determine the E-fermi

[stargmoon]

Dear wien users,
 
Now I am checking the Gaussian smearing method to calculate Fermi energy. I am trying to decrease the smearing parameter (_eval) gradually. Till _eval equals 0.0005 the program runs smoothly. However, when I set _eval equals 0.0001, lapw2 stops and declares the Fermi error. What's wrong?
 
By the way, may I use this method when I do LDA+U calculations?
 
Best,
 
Stargmoon



---------------------------------
Do you Yahoo!?
Yahoo! Search - Find what you’re looking for faster.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20040302/5f196536/attachment.html