solver         = 'CTQMC'
UpdateAtom     = 0                # Does the impurity cix file needs to be recomputed at each step
DCs            = 'fixn'                      # Double counting scheme.

wbroad         = 0.005
kbroad         = 0.1
mix_delta      = 1.0
ntail          = 300

finish=50                        # 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

runIMP = True

recompute_mu   = False

# Impurity problem number 0
iparams0={"exe"                : ["ctqmc"             , "# Name of the executable"],
          "U"                  : [4.                  , "# Coulomb repulsion (F0)"],
	  "J"                  : [0.4                 , "# Hunds J"],
          "beta"               : [300.                , "# Inverse temperature"],
          "Nmax"               : [1300                , "# Maximum perturbation order allowed"],
          "atom_Nmax"          : [41                  , "# Maximum matrix size"],
          "M"                  : [20000000            , "# Total number of Monte Carlo steps"],
          "Ncout"              : [500000             , "# How often to print out info"],
          "Naver"              : [100000000           , "# How often to print out debug info"],
          "nf0"                : [2.5                 , "# Double counting parameter"],
          "nc"                 : [[0, 1, 2, 3, 4]           , "# Impurity occupancies"],
          "nom"                : [200                 , "# Number of Matsubara frequency points sampled"],
          "aom"                : [30                  , "# 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"         : [5000               , "# How often to try a global flip"],
          "tsample"            : [10                  , "# How often to record measurements"],
          "warmup"             : [1000                , "# 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"       : [0.98                 , "# Ratio between trial steps: add-remove-a-kink / move-a-kink"],
          "ChooseRandom"       : [1.0                 , "# How often to choose kink in random bath and how often in those with less kinks"],
	  "CoulombF"           : ["'Full'"            , "# Full Coulomb repulsion"],
          "OCA_G"              : [False               , "# No OCA diagrams being computed - for speed"],
          }