[Pw_forum] Stoner parameter estimation

[孙阳]

Hi, Has anybody used pwscf to estimate the Stoner parameter.
I want do this simple test for my system. I start with the Palladium
bulk, using the fixing moment calculation, and then get the difference
of the total energy and the single particle energy as a function of the
fixed moment, which is supposed to be magnetic energy, 0.25*I*M^2.
So, we could get the Stoner parameter. The result I got is quite not
reasonable. I would ask if this way is reasonable?

Thank you,


Yang

-- 
University of Nebraska at Lincoln
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