solver = 'CTQMC' # impurity solver
DCs = 'nominal' # double counting scheme
max_dmft_iterations=1 # how many DMFT iterations inside the LDA+DMFT loop
max_lda_iterations=10 # how many LDA iterations inside the LDA+DMFT loop
finish=50 # how many charge self-consistent iterations
mix_delta=1.0
ntail=300
cc=5e-4 # charge convergence
ec=5e-4 # energy convergence
recomputeEF = 0
# Impurity problem number 0
iparams0={"exe" : ["ctqmc" , "# Name of the executable"],
"U" : [4.5 , "# Coulomb repulsion (F0)"],
"J" : [0.8 , "# Hunds"],
"beta" : [50. , "# Inverse temperature"],
"svd_lmax" : [25 , "# We will use SVD basis to expand G, with this cutoff"],
"M" : [20e6 , "# Total number of Monte Carlo steps"],
"mode" : ["SH" , "# We will use self-energy sampling, and Hubbard I tail"],
"nom" : [150 , "# Number of Matsubara frequency points sampled"],
"tsample" : [200 , "# How often to record measurements"],
"GlobalFlip" : [1e5 , "# Global flip shold be tried"],
"warmup" : [5e5 , "# Warmup number of QMC steps"],
"nf0" : [5.0 , "# Double counting parameter"],
}