[Pw_forum] Transport calculation tutorials

Zubaer Hossain zubaexy at gmail.com
Mon Jun 22 15:27:33 CEST 2009


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
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