solver = 'CTQMC'

wbroad         = 0.01
kbroad         = 0.05
mix_delta      = 1.0
ntail          = 300

finish=20                         # how many charge self-consistent iterations
max_dmft_iterations=1             # how many DMFT iterations inside the LDA+DMFT loop
max_lda_iterations=10             # how many LDA iterations inside the LDA+DMFT loop

runIMP = True
cc=5e-4  # charge convergence
ec=5e-4  # energy convergence

recomputeEF = 0

# Impurity problem number 0
iparams0={"exe"                : ["ctqmc"             , "# Name of the executable"],
          "U"                  : [8.0                 , "# Coulomb repulsion (F0)"],
          "J"                  : [0.60                , "# J"],
          "cx_atom"            : [0.25                , "# spin-orbit"],
          "beta"               : [100                 , "# Inverse temperature"],
          "Nmax"               : [1000                 , "# Maximum perturbation order allowed"],
          "atom_Nmax"          : [41                  , "# Maximun atomic states kept in the cix file"],
          "M"                  : [10e6                , "# Total number of Monte Carlo steps"],
          "Ncout"              : [100000              , "# How often to print out info"],
          "nf0"                : [2.0                 , "# nominal valence of the ion"],
          "nc"                 : [[0,1,2,3,4]           , "# Impurity occupancies taken into account"],
          "nom"                : [150                 , "# Number of Matsubara frequency points sampled"],
          "aom"                : [5                   , "# Number of frequency points used to determin the value of sigma at nom"],
          "sderiv"             : [0.002               , "# Maximum derivative mismatch accepted for tail concatenation"],
          "tsample"            : [100                 , "# How often to record measurements"],
          "warmup"             : [1000000             , "# Warmup number of QMC steps"],
          "PChangeOrder"       : [0.9                 , "# Ratio between trial steps: add-remove-a-kink / move-a-kink"],
          "BathProbability"    : ["1 1 1 1 1 1 1"               , "# What is probability to create a kink in each bath"],
	  "LazyTrace"          : [1                   , "# Speeds up the calculation"],
          "OCA_G"              : [False               , "# No OCA diagrams being computed - for speed"],
          }