[gpaw-users] wannier implementations
Torsten Hahn
Torsten.Hahn at physik.tu-freiberg.de
Tue Oct 1 08:48:44 CEST 2013
Hi all,
i discovered that GPAW has more than one Wannier class implemented.
There is
- the implementation in ace (https://wiki.fysik.dtu.dk/ase/ase/dft/wannier.html )
- the module gpaw.wannier (https://wiki.fysik.dtu.dk/gpaw/epydoc/gpaw.wannier-module.html )
- and an implementation for the lcao mode (https://wiki.fysik.dtu.dk/gpaw/epydoc/gpaw.lcao.projected_wannier-module.html )
So which one should be used / is stable? Is there somewhere a tutorial/documentation more than the stuff written in the src?
I would like to do something like extract hopping parameters between e.g. the atoms of a Pt-chain ...
Best,
Torsten.
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