[Wannier] An example with tran_read_ht=.true. ?

[Christoph Wolf]

Dear Arash,

thank you very much for your reply! I will check out the codes in the link,
gollum looks very interesting!

Best wishes and stay safe!

Chris

On Wed, 6 May 2020 at 08:05, Mostofi, Arash <a.mostofi at imperial.ac.uk>
wrote:

> Dear Christoph,
> The quantum conductance code hasn’t been generalised to handle leads that
> have k-point sampling in the direction transverse to the transport axis. If
> you (or anyone else) would be interested in adding this functionality, I’d
> be happy to discuss. Alternatively, there are some quantum transport codes
> that interface to Wannier90 that have more extensive transport capability
> and can use the Wannier hamiltonian, see http://www.wannier.org/download/
> Best wishes,
> Arash
>
> —
> Professor Arash Mostofi — www.mostofigroup.org
> Director, Thomas Young Centre @Imperial
> Imperial College London
>
> On 6 Mar 2020, at 13:12, Christoph Wolf <wolf.christoph at qns.science>
> wrote:
>
> Dear all,
>
> does someone have a transport example with tran_read_ht=.true., i.e. a
> transport calculation with externally supplied Hamiltonians?
>
> I was trying to get this to work since my conductance with "gamma only" is
> quite noisy and I tried to replicate a calculation done with an 11x11
> in-plane k-grid of a molecule sandwiched between two metal planes but I do
> not understand how to make the proper _hr.dat files...
>
> Best,
> Chris
>
> --
> Postdoctoral Researcher
> Center for Quantum Nanoscience, Institute for Basic Science
> Ewha Womans University, Seoul, South Korea
>
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>
>

-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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