solver = 'OCA'
finish=30 # how many charge self-consistent iterations
max_dmft_iterations=1 # how many DMFT iterations inside the LDA+DMFT loop
max_lda_iterations=1 # how many LDA iterations inside the LDA+DMFT loop
UpdateAtom=0 # Does the impurity cix file needs to be recomputed at each step
DCs='fixn' # Double counting scheme.
mix_delta=0.4
wbroad=0.01 # Broadening of the hybridization function
# Impurity problem number 0
iparams0={"exe" : ["oca" , "# Name of the executable"],
"U" : [4.5 , "# Coulomb repulsion (F0)"],
"T" : [0.03 , "# Temperature"],
"nf0" : [5.3 , "# Double counting parameter"],
"nc" : [[3,4,5,6,7] , "# Impurity occupancies"],
"alpha" : [0.4 , "# Mixing for bath spectral function"],
"max_steps" : [40 , "# Maximum number of impurity steps"],
"max_diff" : [0.001 , "# Maximum difference between steps"],
"followPeak" : [-1 , "# A mode to determin lambda0"],
"Q" : [8.0 , "# A parameter to determin lambda0"],
"StartLambda" : [-20.0 , "# Where to start looking for zero to determin lambda0"],
"dLambda" : [0.1 , "# Step in searching for the lambda"],
"EndLambda" : [1.0 , "# Where to stop searching for the lambda0"],
"cutAc" : [[-10.0, 10.0] , "# Only window [La,Lb] of baths spectra is taken into account"],
"Gh" : [1.0 , "# Parameter to improve the high frequency self-energy"],
"epsilon" : [[[-10.0, -3.5], [3.5, 10.0]], "# Parameter to improve the high frequency self-energy"],
"Th" : [0.5 , "# Parameter to improve the high frequency self-energy"],
"Ncentral" : [[5] , "# Central occupancies for OCA diagrams evaluation"],
"Eoca" : [0.5 , "# Excited states from ground states used for OCA"],
"mOCA" : [0.05 , "# Smallest matrix element for OCA kept"],
"Ep" : [[100,100,100,100,100], "# Range treated exactly"],
}