runIMP         =  True      # Run impurity solver
runGF          =  True      # Run dmft1 for G and Delta
UpdateAtom     =  0         # if 1, recompute cix file in each DMFT loop
DCs            =  'fixn'    # double counting scheme
                            #   fixn    - fixes Edc through n0
                            #   default - the default double counting scheme
                            #   S0      - experimental
                            #   fixEimp - experimental
finish=1                    # how many charge self-consistent iterations
max_dmft_iterations=20      # how many DMFT iterations inside the LDA+DMFT loop
max_lda_iterations=1        # how many LDA iterations inside the LDA+DMFT loop

wbroad         =  0.03      # broadening of sigma on the imaginary axis
kbroad         =  0.15      # broadening of sigma on the imaginary axis
recompute_mu   =  True      # whether to run dmft0 to recompute mu inside dmft loop. When recomputing charge, this is not necessary
solver         =  'OCA'   # impurity solver
                            #   OCA   - use real-axis solver (either oca or nca)
                            #   CTQMC - use imag-axis solver (ctqmc)
com            =  0         # when computing density on imaginary axis, we can subtract Sigma_oo (com=0) or Sigma(0) (com=1)
ntail          =  30        # on imaginary axis, number of points in the tail of the logarithmic mesh
mix_delta      =  0.3       # mixing of hybridization, 1 = nomixing, 0.2 = only mix in 20% of new delta
broyd          =  True      # Are we using broyden for charge mixing?
riter          =  100       # How often to restart broyden for charge mixing
sleeptime      =  2         # If broyden file are present at the submit time, user has some time to kill the job
cc             =  1e-5      # the charge density precision to stop the LDA+DMFT run
ec             =  1e-5      # the energy precision to stop the LDA+DMFT run
so             =  True     # spin-orbit coupling
rCF            =  None      # Reduction of the crystal field splitting, if necessary
fixmu          =  True     # if True, do not recompute chemical potential in dmft2

# Impurity problem number 0 
iparams0={"exe"                : ["oca"               , "#Name of the executable"],
          "U"                  : [4.5                 , "#Coulomb repulsion (F0)"],
          "T"                  : [0.0052              , "#Temperature"],
          "nf0"                : [4.0                , "#Double counting parameter"],
          "nc"                 : [[3,4,5]             , "#Impurity occupancies"],
          "Ncentral"           : [[4]                 , "#Central occupancies for OCA diagrams evaluation"],
          "alpha"              : [0.5                 , "#Mixing for bath spectral function"],
          "max_steps"          : [30                  , "#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"              : [[-6.0, 6.0]         , "#Only window [La,Lb] of baths spectra is taken into account"],
          "Gh"                 : [0.5                 , "#Parameter to improve the high frequency self-energy"],
          "epsilon"            : [[[-10, -4.0], [4.0, 10.0]], "#Parameter to improve the high frequency self-energy"],
          "Th"                 : [0.5                 , "#Parameter to improve the high frequency self-energy"],
          "lorentz"            : [1                   , "#Whether to subtract lorentz from diverging spectral functions and tr"],
          "SearchLorentz"      : [4.5                 , "#How far from zero to search fro Lorentz"],
          "LorentzMaxRatio"    : [1.0                 , "#How far from zero to search for Lorentz"],
          "FirstLorentz"       : [0                   , "#First pseudoparticle which could be augmented with lorentz"],
          "LastLorentz"        : [10000               , "#Last pseudoparticle which could be augmented with lorentz"],
          "CmpDiff"            : [-1                  , "#When calculating Difference, only first CmpDiff particles should be"],
          }