[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
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