Partial DOS Plot

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alexander_duong
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Partial DOS Plot

#1 Post by alexander_duong » Mon Mar 25, 2024 10:39 pm

Hello,

I have done a density of states run with LORBIT = 11. I am able to plot the total density of states using py4vasp, but is there a way to plot the partial and projected density of states using py4vasp?

Thanks!

martin.schlipf
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Re: Partial DOS Plot

#2 Post by martin.schlipf » Tue Mar 26, 2024 10:21 am

The dos.plot() method has an optional argument selection. You can set it to a string to specify which orbital you want to project on, e.g., dos.plot("p"). You can also project on atoms dos.plot("Fe"), select multiple quantities dos.plot("Fe, O") or combine selections dos.plot("Fe(p)").

alexander_duong
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Re: Partial DOS Plot

#3 Post by alexander_duong » Tue Mar 26, 2024 5:58 pm

Thanks!

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