[Pw_forum] scf and nscf and smearing
    W. YU 
    yuwen_66 at yahoo.com
       
    Wed Dec 29 03:30:31 CET 2004
    
    
  
Happy new year and thanks to Eyvaz, Stefano and Paolo.
Yes, I am doing phonon calculation and I found the
results would be different with or without the
smearing key word in the NSCF calculation. From the
explanation of Paolo, it seems I have to include it in
the NSCF process as well.
W. YU
		
__________________________________ 
Do you Yahoo!? 
Yahoo! Mail - 250MB free storage. Do more. Manage less. 
http://info.mail.yahoo.com/mail_250
    
    
More information about the users
mailing list