[Pw_forum] Band structure of Diamagnetic system
Abolore Musari
abmus007 at gmail.com
Wed Jul 18 08:29:43 CEST 2012
Dear QE users,
Sir I want to ask that when calculating the band structure for a
diamagnetic system for example FeS2. Is it necessary to include a
'starting_magnetization="$value", for Fe atom in the system namelist as its
been done for ferromagnetic and anti-ferromagnetic systems and if YES what
is likely to be appropriate value for the starting_magnetization for the Fe
atom in the diamagnetic system.
thanks
Musari Abolore
ph.d student
UNAAB Nigeria
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120718/ab0ac9a6/attachment.html>
More information about the users
mailing list