solver = 'OCA' finish=20 # how many charge self-consistent iterations mix_delta=0.8 # mixing of the hybridization function wbroad=0.005 # Broadening of the hybridization function DCs='fixn' # Double counting scheme. max_dmft_iterations=1 # how many DMFT iterations inside charge loop max_lda_iterations=0 # how many LDA iterations inside DMFT loop recompute_mu = True #recompute_mu = False # Impurity problem number 0 iparams0={"exe" : ["oca" , "# Name of the executable"], "U" : [4.0 , "# Coulomb repulsion (F0)"], "J" : [0.7 , "# Coulomb repulsion (F2,F4)"], "T" : [0.03 , "# Temperature"], "nf0" : [6.0 , "# Double counting parameter"], "nc" : [[4,5,6,7,8] , "# Impurity occupancies"], "Ncentral" : [[6] , "# Central occupancies for OCA diagrams evaluation"], "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"], "lorentz" : [1 , "# Weather to subtract lorentz from diverging spectral functions and treat it analytically"], "SearchLorentz" : [4. , "# How far from zero to search fro Lorentz"], "Gh" : [0.5 , "# 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"], }