[Pw_forum] magnetic property of Cr:TiO2

Winfred Mulwa mulwawinfred at gmail.com
Tue Aug 19 12:49:32 CEST 2014


Dear all,
I am trying to get the magnetic property of Chromium doped titanium dioxide
using the attached input file. the absolute and total magnetism is the same
after running an scf calculation. Please tell me is there a problem with
the input file?
Regards.
Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of the Free State - QwaQwa,
South Africa.
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