Input parameters for DMFT_LMTO
Based on CeIrIn5
solver
OCA
CTQMC
Impurity solver
cix
Correlated set of orbitals
recompute_mu
True
False
Recompute the chemical potential at each step
DCs
default
fixn
fixEimp
Double counting scheme.
finish
Number of charge self-consistent steps
base
DMFTbase
LDAbase
In which base is the greens function computed
scratch
False
True
At the very beginning, LDA run is converged and only then DMFT is started
max_iterations
Number of charge self-consistent steps
use_tetra
True
False
Use tetrahedron method to determin the chemical potential
Niter
Number of iterations in the inner DMFT loop
runLDA
True
False
Run LDA at each step of the outside loop
runIMP
True
False
Run impurity solver at each iteration in the inside loop
DoubleCounting
impurity
LDA
Is double counting computed from impurity density matrix or charge density matrix
cut_ab
The eigenvalues which are outside this interval are ignored