Parameter: isscf

Definition

It is the most important control flag, which is used to control the running mode of the quantum impurity solvers. As mentioned before, the quantum impurity solvers in the iQIST software package contain a mini dynamical mean-field theory self-consistent engine, concerning the Hubbard model on a Bethe lattice. You can use the isscf parameter to control whether to active this self-consistent engine or not.

Type

Integer

Default value

1

Component

ALL

Behavior

There are two possible values for the isscf parameter so far:

• isscf = 1, one-shot non-self-consistent scheme, usually used in local density approximation plus dynamical mean-field theory scenario. The internal dynamical mean-field theory self-consistent is disabled.

• isscf = 2, self-consistent scheme, used in standard Hubbard model (on Bethe lattice) plus dynamical mean-field theory scenario. The internal dynamical mean-field theory self-consistent engine is used.

Comment

The internal dynamical mean-field theory self-consistent engine is implemented in the ctqmc_dmft.f90. The experienced users can customize their own versions of it.

The isscf parameter is often used with the isbin parameter to implement some complex iterations. See isbin for more details.