[Pw_forum] scf and nscf and smearing

W. YU yuwen_66 at yahoo.com
Tue Dec 28 10:28:51 CET 2004


Dear PW users,

For metal system, in scf calculation, it is required
to use occupation='smearing'. Do we still required to
include  it and the same other parameters such as
degause in the following nscf calculations as we do in
the scf calculation?

thanks




		
__________________________________ 
Do you Yahoo!? 
Yahoo! Mail - now with 250MB free storage. Learn more.
http://info.mail.yahoo.com/mail_250



More information about the users mailing list