QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: smid1584 on October 8, 2017, 10:52

Title: Orbital projection in bandstructure!
Post by: smid1584 on October 8, 2017, 10:52

Hey everyone!
I have a question.I want to see the contribution of special orbital for example(2px) or for example(3dxy) in bandstructre.
How can I do it?
I know that with angular momentum we can select type of orbital(s,p,d,f),but I want to define for example the p orbtial is px or py?
Indeed,I need to define " magnetic quantum number".
How can I do it?

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Title: Re: Orbital projection in bandstructure!
Post by: Petr Khomyakov on October 9, 2017, 09:54

You could do it using the new analysis object in ATK-2017.1, called FatBandStructure, see https://www.youtube.com/watch?v=6lw3nurLCcg, as well as the reference manual https://docs.quantumwise.com/manuals/Types/FatBandstructure/FatBandstructure.html for more details.