solver = 'CTQMC' # impurity solver DCs = 'nominal' # double counting scheme max_dmft_iterations = 1 # number of iteration of the dmft-loop only max_lda_iterations = 100 # number of iteration of the LDA-loop only finish = 30 # number of iterations of full charge loop (1 = no charge self-consistency) ntail = 300 # on imaginary axis, number of points in the tail of the logarithmic mesh cc = 2e-4 # the charge density precision to stop the LDA+DMFT run ec = 2e-4 # the energy precision to stop the LDA+DMFT run recomputeEF = 0 # Recompute EF in dmft2 step. # Impurity problem number 0 iparams0={"exe" : ["ctqmc" , "# Name of the executable"], "U" : [8.0 , "# Coulomb repulsion (F0)"], "J" : [0.8 , "# Coulomb repulsion (F0)"], "beta" : [50 , "# Inverse temperature"], "CoulombF" : ["'Ising'" , "# Form of Coulomb repulsion"], "svd_lmax" : [25 , "# We will use SVD basis to expand G, with this cutoff"], "M" : [10e6 , "# Total number of Monte Carlo steps"], "mode" : ["SH" , "# We will use self-energy sampling, and Hubbard I tail"], "nom" : [200 , "# Number of Matsubara frequency points sampled"], "tsample" : [200 , "# How often to record measurements"], "GlobalFlip" : [1000000 , "# How often to try a global flip"], "warmup" : [1e6 , "# Warmup number of QMC steps"], "nf0" : [2 , "# Double counting parameter"], }