Big difference for Fermi energy between Abinit and VASP
Posted: Fri Aug 09, 2019 4:11 pm
Dear every one,
Now I want to reproduce the electronic band structure of Nb. I calculated it with Abinit (NC potential) and VASP (PAW) code, respectively. However, there is a big difference for Fermi energy between them, as showing below.
I want know how to reset the Fermi level in Abinit?
By the way, the band structure data calculated with Abinit is extracted directly from the tffield_xo_DS2_EBANDS.agr file. Since "# Energies are in eV. Zero set to efermi, previously it was at: 9.21 [eV]", I don't modify the Fermi energy again.
Best,
Yang
Now I want to reproduce the electronic band structure of Nb. I calculated it with Abinit (NC potential) and VASP (PAW) code, respectively. However, there is a big difference for Fermi energy between them, as showing below.
I want know how to reset the Fermi level in Abinit?
By the way, the band structure data calculated with Abinit is extracted directly from the tffield_xo_DS2_EBANDS.agr file. Since "# Energies are in eV. Zero set to efermi, previously it was at: 9.21 [eV]", I don't modify the Fermi energy again.
Best,
Yang