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 <[email protected]> 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 <[email protected]> > 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 > > _______________________________________________ > Wannier mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/wannier > > > -- Postdoctoral Researcher Center for Quantum Nanoscience, Institute for Basic Science Ewha Womans University, Seoul, South Korea
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