QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: bubble on September 4, 2017, 10:33

Title: How to obtain the different components of DOS
Post by: bubble on September 4, 2017, 10:33

Hi
   Does the ATK2017 version provide different components of DOS? To my knowledage, the old version could only provide s p d...for DOS. In the new version, are the px, py, pz, dxy, dyz.... components avaible?

Thank you!

Title: Re: How to obtain the different components of DOS
Post by: Petr Khomyakov on September 4, 2017, 11:32

Yes, it does. You may use 'Projected Density of States' analysis object in the VNL for doing that, see also more details in the manual https://docs.quantumwise.com/manuals/Types/ProjectedDensityOfStates/ProjectedDensityOfStates.html. I note that in the ATK-2017 there exists an analysis object called 'Flat Band structure' that allows for visualization of the orbital-resolved band structure, see https://docs.quantumwise.com/manuals/Types/FatBandstructure/FatBandstructure.html.