[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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