<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
</head>
<body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">
Dear Christoph,
<div class="">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 <a href="http://www.wannier.org/download/" class="">http://www.wannier.org/download/</a></div>
<div class="">Best wishes,</div>
<div class="">Arash</div>
<div class=""><br class="">
<div class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">
<div class="">—</div>
<div class="">Professor Arash Mostofi — <a href="http://www.mostofigroup.org" class="">
www.mostofigroup.org</a></div>
<div class="">Director, Thomas Young Centre @Imperial</div>
<div class="">Imperial College London</div>
</div>
</div>
</div>
</div>
<div><br class="">
<blockquote type="cite" class="">
<div class="">On 6 Mar 2020, at 13:12, Christoph Wolf <<a href="mailto:wolf.christoph@qns.science" class="">wolf.christoph@qns.science</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div dir="ltr" class="">Dear all,
<div class=""><br class="">
</div>
<div class="">does someone have a transport example with tran_read_ht=.true., i.e. a transport calculation with externally supplied Hamiltonians?</div>
<div class=""><br class="">
</div>
<div class="">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...</div>
<div class=""><br class="">
</div>
<div class="">Best,</div>
<div class="">Chris <br clear="all" class="">
<div class=""><br class="">
</div>
-- <br class="">
<div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature">
<div dir="ltr" class="">Postdoctoral Researcher<br class="">
Center for Quantum Nanoscience, Institute for Basic Science<br class="">
Ewha Womans University, Seoul, South Korea
<blockquote type="cite" style="font-size:12.8px" class="">
<div dir="ltr" class="">
<div class="">
<div dir="ltr" class=""></div>
</div>
</div>
</blockquote>
</div>
</div>
</div>
</div>
_______________________________________________<br class="">
Wannier mailing list<br class="">
<a href="mailto:Wannier@lists.quantum-espresso.org" class="">Wannier@lists.quantum-espresso.org</a><br class="">
https://lists.quantum-espresso.org/mailman/listinfo/wannier<br class="">
</div>
</blockquote>
</div>
<br class="">
</div>
</body>
</html>