site projected DOS for a spin-polarized system
Posted: Wed Nov 27, 2013 1:37 pm
Hello!
I am trying to understand how the partial DOS is written in the DOSCAR file. I have a spin-polarized system and also LORBIT=11. So I should have spin-polirized site projected DOS. I just can't figure out how to read the data. I know that the data is written for each l (s,p,d) from -ml,..,+ml but still counting them with spin up and down doesn't give me the right number of columns or I am just confused?!
The data should be written as :
energy S_spin(up) S_spin(dwn) Px_spin(up) Px_spin(dwn) ...
or is it different?
I am trying to understand how the partial DOS is written in the DOSCAR file. I have a spin-polarized system and also LORBIT=11. So I should have spin-polirized site projected DOS. I just can't figure out how to read the data. I know that the data is written for each l (s,p,d) from -ml,..,+ml but still counting them with spin up and down doesn't give me the right number of columns or I am just confused?!
The data should be written as :
energy S_spin(up) S_spin(dwn) Px_spin(up) Px_spin(dwn) ...
or is it different?