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Meaning of projected-DOS for LDA+U+SOC calculation

Posted: Thu Jul 10, 2014 3:59 am
by jhbyouni
Hello.

I want to calculate "Jeff projected DOS" such as

Fig.8 in PRB, 87, 155136
( http://journals.aps.org/prb/abstract/10 ... .87.155136 )

Fig.1 in PRL, 108, 086403
( http://journals.aps.org/prl/abstract/10 ... 108.086403 )

However, DOSCAR shows only site-projected DOS such as dxy, dxz, dyz, ...

So, what is the meaning of dxy, dxz, dyz ... for LDA+U+SOC calculation?


And how to get the Jeff projected DOS?

Thanks.











<span class='smallblacktext'>[ Edited ]</span>

Re: Meaning of projected-DOS for LDA+U+SOC calculation

Posted: Thu Sep 12, 2024 9:06 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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