Comments (2)
I'm not sure what system you try to make, but PyBinding focusses mainly on 2D systems (2D in the sense that you have 2 periodic boundary conditions, a multi-layer could also be made).
With Fermi surfaces I immediately think of something in 3D. This kind of 3D-surface is (currently) not supported.
I presume that you want to see where in the reciprocal space the energy bands are located for certain energy values. As far as I'm aware, this is also not (yet) supported.
The set_wave_vector()
-method of the solver
-class will set the k
-value in the reciprocal space in units of 1/nm. If you then ask for the eigenvalues
or eigenvectors
, it will give you those at the given k
-point.
You could extract all the energy values for different k
-points and then try to generate this energy contour.
from pybinding.
Ok. That is exactly what I did in the end, but I only wondered if there was an easier way to do it, just like with the band structure. Thanks for responding
from pybinding.
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from pybinding.