solver = 'CTQMC'
finish=20 # how many charge self-consistent iterations
max_dmft_iterations=2 # how many DMFT iterations inside charge loop
max_lda_iterations=20 # how many DMFT iterations inside charge loop
UpdateAtom=0 # Does the impurity cix file needs to be recomputed at each step
DCs='fixn' # Double counting scheme.
mix_delta=1.0
wbroad=0.005 # Broadening of the hybridization function
kbroad=0.1 # Broadening of the hybridization function
ntail=300
recomputeEF = 2
saver = 1.0
# Impurity problem number 0
iparams0={"exe" : ["ctqmc" , "# Name of the executable"],
"U" : [8.0 , "# Coulomb repulsion (F0)"],
"beta" : [38.68333333 , "# Inverse temperature"],
"cx" : [0.0 , "# Spin-orbit"],
"M" : [10000000 , "# Total number of Monte Carlo steps"],
"Ncout" : [1000000 , "# How often to print out info"],
"Naver" : [100000000 , "# How often to print out debug info"],
"nf0" : [6.0 , "# Double counting parameter"],
"nc" : [[4,5,6,7,8] , "# Impurity occupancies"],
"nom" : [40 , "# 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" : [1000 , "# How often to update G(tau)"],
"GlobalFlip" : [1000 , "# How often to try a global flip"],
"tsample" : [10 , "# How often to record measurements"],
"warmup" : [1000000 , "# Warmup number of QMC steps"],
"CleanUpdate" : [100000 , "# 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"],
"Ncorrect" : [-1 , "# Which baths should not be corrected"],
"PChangeOrder" : [0.9 , "# Ratio between trial steps: add-remove-a-kink / move-a-kink"],
"ChooseRandom" : [0.8 , "# How often to choose kink in random bath and how often in those with less kinks"],
"CoulombF" : ["'Georges'" , "# Full Coulomb repulsion"],
"OCA_G" : [False , "# No OCA diagrams being computed - for speed"],
}