HOMO LOMO (MPSH)

[MaryamNazirfakhr]

Hello

I'll be thankful if you let me know that how can i find the MPSH states of the HOMO and LOMO in the central scattering part of the strained (tensil and compressive) 10AGNR? In general I need some information about plotting MPSH states of LOMO and HOMO

Regards

[Umberto Martinez]

You can start from the Introduction to transport calculations with ATK tutorial.

in particular check the MPSH section http://quantumwise.com/documents/tutorials/latest/ATKTutorialDevice/index.html/chap.analysis.html#sect1.mpsh