[Wien] About BoltzTraP

Artamonov Oleg artaoleg at yandex.ru
Sat Nov 20 13:31:27 CET 2010


Dear Wien2k user,

I would like to use the BoltzTraP110 to calculate the semi-classic values (the group velocity and the inverse mass tensor) for the list of k-points in the BZ, namely, for the k-points defined by the intersection of the Fermi surface and the plane.
There are the variables defined in the /BoltzTraP/dos.f: energygrid, velocitygrid, curvaturegrig. In seems to me these variables can define the group velocity and the inverse mass tensor.
What is the right way to get these variables from the BoltzTraP and what are formats of them?

Thanks in advance,
                               Oleg Artamonov.


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