In a spin-polarized case, you have an internal magnetic moment (field).
This is usually MUCH larger (eg. in bcc Fe ~ 30 T) than the induced
field due to an external magnetic field (ppm or %, i.e. 0.1 T for an
external field of 10 T).
To calculate the internal magnetic field, you look at the spin contact
term (:HFF in scf) and include spin-orbit coupling and use lapwdm to
calculate orbital and dipolar fields (check out lecture notes on
hyperfine fields in our workshop notes).
Am 11.05.2019 um 18:15 schrieb karima Physique:
Dear Prof. P. Blaha and Wien2k users;
1) how to calculate the orbital part of susceptibility for spinpolarized
case using
x nmr lapw -mode in1
do I have to run spin-up after I calculate the spin-dn and after do the
sum.?
2) the found value , does it contain the part of Langevin orbital
susceptibility ?
Thank you in advance
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