MGGA is suitable for the transport calculation of two-probe configuration

[njuxyh]

Hi all:

i saw MGGA can give reasonable band gap for bulk, my question is that it is suitable for the transport calulation of two-probe configuration,because i want to get reasonalbe band gap in the transmission spectrum.

thanks very much!!

best wishes

[Umberto Martinez]

Sure, see these two tutorials:
http://docs.quantumwise.com/tutorials/nisi2-si/nisi2-si.html
http://docs.quantumwise.com/tutorials/silicon_pn_junction/silicon_pn_junction.html

and this publication http://dx.doi.org/10.1016/j.sse.2015.09.005