Hi, I am interested to perform transport calculations.
I was wondering if there were any tutorials explaining 'how to's', 'effects of finite cross-section of the leads, type of connection between leads and scattering region' etc. I read the input file description for using pwcond.x; it might be useful to learn some critical stuffs about transport calculation using QE e.g. convergence of transmission coe w.r.t k-points. A brief review/hint or pointing to any paper explaining details of QE calculations would have been great. Thanks in advance, Zubaer Department of Mechanical Science and Engineering Univ. of Illinois at Urbana-Champaign, USA -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090622/4861873f/attachment.htm
