QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: MaryamNazirfakhr on November 30, 2014, 12:54

Title: HOMO LOMO (MPSH)
Post by: MaryamNazirfakhr on November 30, 2014, 12:54

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

Title: Re: HOMO LOMO (MPSH)
Post by: Umberto Martinez on December 1, 2014, 09:46

You can start from the Introduction to transport calculations with ATK (http://quantumwise.com/publications/tutorials/item/51-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