9
$\begingroup$

I have used both SUMO and P4VASP to generate a DOS plot. I have found that there's a shift (displacement) between the two DOS generated by the two computer programs. I am wondering which software has already subtracted the Fermi energy, or did both do that?

$\endgroup$
2
  • 2
    $\begingroup$ +1 but since we have a policy on asking only 1 question per post I've removed the second question, which you can ask separately. Also please take a look at the changes I made to the tags! $\endgroup$ Jan 1 at 14:14
  • 2
    $\begingroup$ You should show your plot. If you use VASP and the valence band maximum is set to zero, then the corresponding plot is shifted. $\endgroup$
    – Jack
    Jan 1 at 23:40
7
$\begingroup$

From the SUMO DOS documentation page we have that the option --no-shift controls when to shift the Fermi energy or not:

--no-shift

    don’t shift the VBM/Fermi level to 0 eV

    Default: True

In the case of P4VASP, from its page related to plotting DOS:

In all DOS/bandstructure graphs is the energy relative to the Fermi energy - i.e. the Fermi energy on the graph is zero.

$\endgroup$

Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Not the answer you're looking for? Browse other questions tagged or ask your own question.