solver = 'CTQMC'
wbroad= 0.005
kbroad= 0.1
mix_delta=1.0
ntail=500
DCs='fixn' # Double counting scheme.
finish = 20
max_dmft_iterations=1 # how many DMFT iterations inside the LDA+DMFT loop
max_lda_iterations=20 # how many LDA iterations inside the LDA+DMFT loop
recomputeEF = 1
runIMP = True
cc=1e-3 # charge convergence
ec=1e-3 # energy convergence
# Impurity problem number 0
iparams0={"exe" : ["ctqmc" , "# Name of the executable"],
"U" : [5.0 , "# Coulomb repulsion (F0)"],
"beta" : [50. , "# Inverse temperature"],
"Nmax" : [1000 , "# Maximum perturbation order allowed"],
"atom_Nmax" : [100 , "# The largest dimension of a matrix"],
"M" : [1e6 , "# Total number of Monte Carlo steps"],
"Ncout" : [50000 , "# How often to print out info"],
"nf0" : [5.2 , "# Double counting parameter"],
"nc" : [[3,4,5,6,7] , "# Impurity occupancies"],
"nom" : [50 , "# Number of Matsubara frequency points sampled"],
"aom" : [5 , "# Number of frequency points used to determin the value of sigma at nom"],
"sderiv" : [0.02 , "# Maximum derivative mismatch accepted for tail concatenation"],
"Ntau" : [1000 , "# Number of imaginary time points (only for debugging)"],
"SampleGtau" : [3000 , "# How often to update G(tau)"],
"GlobalFlip" : [500000 , "# How often to try a global flip"],
"tsample" : [15 , "# How often to record measurements"],
"warmup" : [100000 , "# Warmup number of QMC steps"],
"CleanUpdate" : [10000000 , "# How often to make clean update"],
"minM" : [1e-10 , "# The smallest allowed value for the atomic trace"],
"minD" : [1e-10 , "# The smallest allowed value for the determinant"],
"PChangeOrder" : [0.9 , "# Ratio between trial steps: add-remove-a-kink / move-a-kink"],
"CoulombF" : ["'Full'" , "# Full Coulomb repulsion"],
"OCA_G" : [False , "# No OCA diagrams being computed - for speed"],
}