GW calculation, energy bands compared with PBE
Posted: Sat Jun 08, 2013 1:34 pm
Hi,
I have done GW calculation based on PBE WAVECAR!
The shape of the band structure is the roughly the same but the problem is that the energy of the bands has considerably increased.
e.x. : the fermi level in PBE is around -3 eV but in GW is around zero?!!!
Does it have a physical meaning?!!!
I have done GW calculation based on PBE WAVECAR!
The shape of the band structure is the roughly the same but the problem is that the energy of the bands has considerably increased.
e.x. : the fermi level in PBE is around -3 eV but in GW is around zero?!!!
Does it have a physical meaning?!!!