[Pw_forum] tot_magnetization value

[kajal jindal]

Hi,

I am new to PWScf and i am working on ZnO doped with Nitrogen .I have
replaced 1 Oxygen by 1 Nitrogen per unit cell and have used 2*2*2 ZnO
supercell i.e 8*(ZnO)-O+N=143 total no. of electrons .It means our system
has an odd no. of electrons and i have given ispin=2 but i m confused how to
specify the tot-magnetization value.

secondly ,I want to know whether one should use spin polarized calculation
for geometry optimizations/relaxation for the above system.If needed, should
I paste my input file also?

sincerely,
Miss Kajal
(UTA)(University of Delhi)
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