The ABINIT Users Mailing List ( CLOSED )

[Denis RIDEAU <denis.rideau@st.com>]

Hello,

The GW correction can be computed on high symmetry points in the
Brillouin zone following the approach of Monkhorst and Pack 
it is possible to get electronic energies on a mesh of k points
and to plot the quasi-particle correction to the LDA value as
a function of the LDA energy, in the spirit of
Fig. 1 of Phys. Rev. B34,
5390 (1986),
 then make a linear interpolation for
each group of points
 corresponding to one band, and use
that interpolation to correct
 the LDA band structure at every point.
It works well (at least for Silicon) with ABINIT V4.4.3.

Denis Rideau

Wu Rongqin wrote:

Dear all,

 

I am wondering whether abinit can calculate the quasiparticle band structure for semiconductor and metal, including the valence bands in the full Brillouin Zone? Anyway, the tutorial only gives the band gap correction.

 

 

 

Regards

 

Rongqin