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Partial DOS Plot

Posted: Mon Mar 25, 2024 10:39 pm
by alexander_duong
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!

Re: Partial DOS Plot

Posted: Tue Mar 26, 2024 10:21 am
by martin.schlipf
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)").

Re: Partial DOS Plot

Posted: Tue Mar 26, 2024 5:58 pm
by alexander_duong
Thanks!