[Wien] Formula in the procedure

[pieper]

Dear 刘敏

You do not say anything about which nucleus you want to calculate the 
hyperfine field of (Protons, light element, Rare Earth?), in what 
material it sits (insulator, metal, para-, dia-, ferro-... magnetic?), 
and how the experimental values you compare with were determined.

Looking at the factor of 10 my first guess with your first question 
would be, however, that the error is somewhere in the conversion between 
magnetic units: 1 T = 10 kOe, the magnetic permeability of the vacuum is 
4*pi/10 *10**-6 (m kg C**-2) in SI units (for the T). There are factors 
10 (or 10**4) in abundance there to miss. Consult your favorit textbook 
on magnetism, or C.P. Slichter: Principles of Magnetic Resonance.

As for your second question, I am not a code developer and should 
probably leave this to them. I neither know where in the code the 524.3 
appears, nor where you get your value of 520.3 from? In any case the 
formula for the Fermi-contact field you wrote down contains an AVERAGE 
magnetic moment. How this average has to be calculated (and to my 
knowledge that is how its implemented in Wien2k) is explained in the 
Phys. Rev. B of Bluegel et. al cited in the UG in that context. Possibly 
your differing prefactor has its origin somewhere there, maybe by taking 
m at the nuclear site (delta-function) instead of averaging over the 
Thompson-radius.

Good luck,

Martin

---
Dr. Martin Pieper
Karl-Franzens University
Institute of Physics
Universitätsplatz 5
A-8010 Graz
Austria
Tel.: +43-(0)316-380-8564


Am 27.05.2014 09:30, schrieb 刘敏:
> Dear all
>  I have two question in my calculation:
>  The first one, I have a problem in calculating the hyperfine
> constants A, my results are 10
> times larger than the experiment, the A is measured in Koe/muB in
> experiment, but in our
> calculation the unit of A is KG/muB. we don not konw the magnetic
> permeability u，
> How to solve this problem? thank you.
> 
>  The second one, I want to deduce the formula in the procedure:
> 
> -->> Bc (atom, elc)=524.3[hyper f (atom,elc,1)-hyper f(atom,elc,2)],
> How do we justify this formula?
> for my calculation, I get the coefficient is not 524.3, it is 520.3.
> Could anyone tell me the method?
> thank you very much!
> 
> Best wishes
> 
> 
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