ABINIT Discussion Forums

Dear all,

I am trying to make some DOS and projected DOS calculations. I checked my outputs and I observed that the curves are not smooth. The DOS is computed every 0.001 Hartree. Does anyone know how to choose this interval for which the DOS is computed. I have not found any input variable that allows me to do that.

Thank you very much.

Nahasamapetilah

https://docs.abinit.org/variables/gstate/#dosdeltae

See also https://docs.abinit.org/variables/files/#prtdos
for the option selecting the gaussian/tetrahedron method,