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://www.democritos.it/pipermail/pw_forum/attachments/20120718/ab0ac9a6/attachment.htm
