[Wien] Can wien2k calculate effective mass?

[Igor Mazin]

anin anin1996 at gmail.com wrote:

>Dear wien developers,
> I am wondering whether wien can calculate effective
mass,or can we calculate the effective mass by the
data of wien scf. If so ,how to perform it? I
appreciate your instructions.

Yes, sometimes you can, but first you want to define
the effective mass. Unfortunately, in solid state
physics several unrelated quantity are called
"effective masses", for instance (a) semiconducting
mass, the second derivative of the electron energy
w.r.t. the wave vector, (b) transport/optical
effective mass, which occurs only in the combination
(n/m)_eff and can be computed directly in WIEN, (c) de
Haas-van Alphen mass, proportional to the derivative
of a cross-section area w.r.t. the chemical potentia,
(d) renormalization coefficient for the Fermi velocity
due to electron-boson coupling, etc.

When you know what exactly do you want to compute,
there are various ways to get it out of the code.




		
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