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How to obtain the different components of DOS
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Topic: How to obtain the different components of DOS (Read 2734 times)
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bubble
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How to obtain the different components of DOS
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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!
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Petr Khomyakov
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Re: How to obtain the different components of DOS
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Reply #1 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
.
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Last Edit: September 4, 2017, 11:34 by Petr Khomyakov
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How to obtain the different components of DOS