DOS

Queries about input and output files, running specific calculations, etc.


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sharma
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Posts: 19
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DOS

#1 Post by sharma » Wed Sep 21, 2011 6:13 am

I want to draw atom projected DOS using /m/ =0, 1 & 2.
So far I know, m=0 is dz2 state, m=1 yz/xz state and m=2 xy/x2-y2 states. (Am I correct?)

I wanna know, can I compare the m=0 state ie dz2 (or other) of my cubic fcc L12 bulk Pt3Ni DOS with (001) or (110) or (111) surface atom's dz2?

From the definition of m, The magnetic quantum number, m, tells us the orientation of an orbital in space.

I want to draw the DOS.

Please suggest me the best way.

Thank you in advance.
Last edited by sharma on Wed Sep 21, 2011 6:13 am, edited 1 time in total.

support_vasp
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Re: DOS

#2 Post by support_vasp » Thu Sep 12, 2024 7:19 am

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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VASP


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