The largest contribution is probably the spin suszeptibility.
You can calculated it with the procedure for NMR Knight shifts, see UG.
The susceptibility is then just the induced moment divided by the
external field.
Beware, there are a couple of different definitions of this
susceptibility, so the conversion of the simple result above into
experimental units depends a lot on that (see wikipedia, ...)
In addition there is the orbital susceptibility, which you obtain from
an NMR calculation.
On 06/22/2017 12:45 PM, Wien2k User wrote:
Dear Wien2k Users;
I am still waiting for an answer from Prof P.Blaha or Wien2k users.
"How can I estimate the magnetic susceptibility for a metalic compound
with Wien2k?"
2017-06-18 17:57 GMT+02:00 Wien2k User <wien2k.u...@gmail.com
<mailto:wien2k.u...@gmail.com>>:
Dear Wien2k users,
How can I estimate the magnetic susceptibility for a metalic
compound with Wien2k?
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