How to set energy range of spectral functions in DMFT Hub-1?
Posted: Fri Mar 03, 2017 2:22 am
Hello,
I've a few questions regarding DMFT Hub1 solver:
1). The spectral function can be obtained by setting prtdos=1.
However, the output energy range of the spectral functions is
always limited to -0.3~+0.3 Ha. Is there any possibility to
increase it? When U is large, the correlated orbital may goes
out of the box.
2). The file "SpFunc-cor_orb-realw" corresponds to the spectral
of the correlated orbitals and the file "SpFunc-realw" corresponds
to the total spectral (with correlated orbitals included), right?
3). I suppose the output files "SpFunc" already shift Ef=0, right?
4). When I assign dmftbandi and dmftbandf, in non-SOC case,
the calculated band are separated as spin-up and spin-down bands.
If so, the band index should be assigned by up or down or their
combined order?
Thanks,
Shu-Ting Pi
UC Davis
I've a few questions regarding DMFT Hub1 solver:
1). The spectral function can be obtained by setting prtdos=1.
However, the output energy range of the spectral functions is
always limited to -0.3~+0.3 Ha. Is there any possibility to
increase it? When U is large, the correlated orbital may goes
out of the box.
2). The file "SpFunc-cor_orb-realw" corresponds to the spectral
of the correlated orbitals and the file "SpFunc-realw" corresponds
to the total spectral (with correlated orbitals included), right?
3). I suppose the output files "SpFunc" already shift Ef=0, right?
4). When I assign dmftbandi and dmftbandf, in non-SOC case,
the calculated band are separated as spin-up and spin-down bands.
If so, the band index should be assigned by up or down or their
combined order?
Thanks,
Shu-Ting Pi
UC Davis