Dear all
There seems to be two procedures of calculating MAE in QE: 1)setting a
starting_magnetization that is close to the desire axis and doing a full SCF;
2)using constraint on the direction of magnetic moments. However, these two
methods do not give the same numbers. So which one ought to be used?
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庞瑞(PANG Rui)
South University of Science and Technology of China/Department of Physics
No.1088,Xueyuan Road, Shenzhen,Guangdong
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