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?
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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! $\endgroup$– Nike DattaniJan 1, 2021 at 14:14
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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. $\endgroup$– JackJan 1, 2021 at 23:40
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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.
