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projected density of states
Date: 2023/10/08 22:52
Name: maedeh   <>

i want to calculate PDOS of a nanoribbon. i used % ./DosMain *.Dos.val *.Dos.vec but when I choose PDOS, i have to choose only one atom
Number of atoms=2
    Which atoms for PDOS : (1,...,2), ex 1 2

but I need PDOS of whole system
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Re: projected density of states ( No.1 )
Date: 2023/10/12 01:01
Name: Yung-Ting Lee

Dear maedah,

[I] This post ( ) may be related to your question.

After selecting PDOS over all of atoms, one can sum over atoms' PDOS and to get the same value as that in DOS (if numerical errors are ignored).

[II] I guess that you want to plot the total density of states (DOS) of a system. You can select Dos(1).

DOS is also equal to the total density of states (TDOS).

For example,

Which method do you use?, Tetrahedron(1), Gaussian Broadeninig(2)
Do you want Dos(1) or PDos(2)?

Best regards,
Yung-Ting Lee

Page: [1]

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