[Wannier] lcr transport

Tonatiuh Rangel Tonatiuh.Rangel at uclouvain.be
Mon Aug 4 10:13:02 CEST 2008


Dear all,

I am trying to do transport calculations using Wannier90.

In the Wannier90 tutorial there is just an example of transport
calculations. This example shows how to do transport calcuation for bulk
systems. But I want to calculate the quatum conductance for a system
consisting of left and right leads connectred through a central conductor.

I see in the user guide that I have to set transport_mode=lcr  and  I have
to provide the name of the hamiltonian files in the input file.

I would like to know how to generate these hamiltonian files. If there is
an utility to do it.
I see that I can make a transport calculation for bulk and set
tran_write_ht=true to write the bulk hamiltonian. Then, I might build the
other 5 hamiltoinians this hamiltonian. Is this correct?

I would appreciate any clue.

Best wishes
Tonatiuh Rangel




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