Meaning of projected-DOS for LDA+U+SOC calculation
Moderators: Global Moderator, Moderator
Meaning of projected-DOS for LDA+U+SOC calculation
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>
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>
Last edited by jhbyouni on Thu Jul 10, 2014 3:59 am, edited 1 time in total.
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Re: Meaning of projected-DOS for LDA+U+SOC calculation
Hi,
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