[Wannier] Slater Koster potentials

[Giovanni Pizzi]

Hi,

I’m not sure if the Slater Koster potentials you refer to is what I have in mind (the Slater-Koster Tight binding parameters).
In any case: no, Wannier90 does not compute them automatically. The ‘slater-koster’ string in the code should only refer to the definition of the phase factor when performing band-structure interpolation, and how to truncate TB matrix elements to reduce the number of neighbours.

Giovanni


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Giovanni Pizzi
Theory and Simulation of Materials and MARVEL, EPFL
http://people.epfl.ch/giovanni.pizzi
http://nccr-marvel.ch/en/people/profile/giovanni-pizzi

On 2 Jul 2018, at 12:46, Alex.Durie <alex.durie at open.ac.uk<mailto:alex.durie at open.ac.uk>> wrote:

Hi,

In section 2.9.12 of the Wannier90 manual, it makes reference to Wannier90 computing the interpolated bandstructure using the Slater Koster interpolation scheme.

Does this mean Wannier90 computes Slater Koster potentials? If so, where does it store them?

Many thanks

Alex Durie
PhD student
The Open University
United Kingdom
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