Yambo Community Forum

Posted: **Thu Dec 12, 2024 12:03 pm**

Dear all,

I have a more general question about the density of states as calculated in Ypp. As you may know, the unit of the density of states is 'states/eV/unit volume.' However, Quantum Espresso calculates the density of states in 'states/eV,' and it is not normalized by volume. Therefore, when we base our GW calculations on the Kohn-Sham states calculated via Quantum Espresso, in what unit is the DOS calculated in Ypp? Is the DOS data normalized by volume?

Warm Regards,
Tushar Waghmare

Posted: **Thu Dec 12, 2024 12:29 pm**

Dear Tushar,

As in QE the dos is not normalized to the volume, but please note that the "Integrated DOS " printed in the output is multiplied by the Volume:
see in ypp/electrons/electrons_dos.F

Code: Select all

 call msg("s",'Integrated DOS                    :',dos_integral(1)*DL_vol)

Best,

Daniele

Yambo Community Forum

Normalization of DOS calculated in ypp over volume

Normalization of DOS calculated in ypp over volume

Re: Normalization of DOS calculated in ypp over volume