[Wien] The expression of spin susceptibility

[pieper]

Hi Karima,

I am a strong believer in the idea that one learns best what one works 
out by oneself, so I prefer to just point you in a direction: Take

chi=M/B,

where B is in T (beware of a shortcut here between B and mu_0*H, mu_0 
being the vacuum permeability), and M is some density of magnetic 
moments (per volume, weight, particle number, you-name-it).

The units on the left hand side of that equation are stated as 
[m^3/(unit cell content)]. Set aside that Peter Blaha admitted there 
might be a typo there, the use of 10^6 cm^3 there indicates that this is 
meant to be a cgs molar susceptibility.

On the right hand side the units are [mu_B/(bohr^3*T)]. With bohr^3 a 
volume this is clearly a volume susceptibility.

Did you try to convert mu_B/bohr^3 to cgs or SI units? You will find 
conversion factors for mu_B (magnetic moment) and bohr (length) e.g. on 
the NIST website. From there you should be able to convert to cgs and be 
able to tell us what exactly the typo is ...

Best regards,


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


Am 23.09.2017 23:55, schrieb karima Physique:
> Dear Prof. P. Blaha and wien2k users;
> 
> what the meaning of the number 6.258116 in the expression of spin
> susceptibility?
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html