Dear All,
I have written a little DMFT code using the ALPS CTQMC
impurity solver. The code accepts an arbitrary Hamiltonian (eventually
with the goal of doing some form of LDA+DMFT, currently just a model
tight-binding Hamiltonian).
Firstly, I was wondering what might be done to address the large
amount of noise in the tail of the self energy (after the first 20 or so
Matsubara frequencies, the noise is a couple of orders of magnitude
larger than the "signal"). I suppose it is not surprising that
subtracting the inverses of two small numbers would lead to this sort of
thing.
Secondly, the type of lattice (a Bethe lattice by default in the
ALPS dmft code) seems to enter into the picture via a set of three
constants in the Fourier transforms. For the forward transform, these
seem to be boundary terms in a numerical integration-by-parts method.
They also appear in the backward transform, although it is less clear to
me what their function might be. I was also wondering, if it does not
exceed the scope of a mailing list query, if there are other places in
the provided dmft code in which the Bethe lattice is tacitly assumed.
Any help would be greatly appreciated.
Regards,
Hunter
--
Hunter Sims
Center for Materials for Information Technology
University of Alabama
Box 870209
Tuscaloosa AL 35487-0209
205-310-9369