[Wien] HFF

[Stefaan Cottenier]

Hello Saeid,

For sure 1 T = 10 kG, and the values given under :HFF are in kG, no 
doubt about that.

For Ce, not only the Fermi contact hyperfine field, but also the orbital 
and dipolar hyperfine fields will be important. If you calculated only 
the Fermi contact field, than I am not surprized that the values are far 
away from experiment. In order to calculate the other contributions, you 
must add spin-orbit and afterward run lapwdm with '3 3' and '3 5' (see 
usersguide). Mind that the reported values for orbital and dipolar field 
will be in Tesla, not in kG. It will possibly even be necessary to add 
LDA+U on top of this.

Which Ce-compounds are you studying, and with which measurements do you 
compare?

Best regards,
Stefaan

>Hello Stefaan,
>I have calculated total hyperfine field (HFF) in some
>cerium based compounds, and all the calculated
>parameters are in good agreement with experiment
>except HFF's. The calculated HFF's will be also nicely
>comparable with the experimenatl results if we take 1
>T = 1 kgauss (which is wrong as we know 1 T = 10
>kgauss), that is  our calculated HFF's are 10 times
>smaller than the experimetal results.
>Any comments from you will be so helpful to realize
>that if the calculated HFF's by wien2k are in 10
>kgauss or I am confusing something else.
>Your,
>Saeid.
>
>
>		
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