Dear sir/madam,
I am trying to calculate the bulk band structure for Germanium using GGA
exchange-correlation with PAW basis, but the band gap is coming out to be
almost zero. I know DFT underestimates the band gap but it is coming almost
zero (~0.03eV). Is there any means by which I can get more
Respected Sir,I have seen in one paper Phys Rev X 5, 011006 (2015) that when
ACBN0 pp is used for calculating band gap of ZnO with Hubbard U values UZn =
12.8eV and UO = 6.7eV, they got almost good value for band gap (2.91eV).I would
like to know how to get ACBN0 pp for Mn, W and O for calculati
