Dear QE users,<br>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.<br>
<br>thanks<br><br>Musari Abolore<br>ph.d student <br>UNAAB Nigeria<br>