[Pw_forum] Help
Albert Aniagyei
albertaniagyei at yahoo.com
Thu Oct 23 19:37:14 CEST 2014
Hi guys,
I am running spin-polarized calculation on Sr-Doped LaMnO3. How do i
assign starting magnetization in La, Mn and O
Which has spin magnetic moment and the rational for assignment? Find
attached is the input file
--
Albert Aniagyei,PhD student
Computational and Theoretical Chemistry Group
Kwame Nkrumah University of Science and Technology
Kumasi-Ghana
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