use_tetra = False mix_ham = 1.0 LowerBound = -20 ntail = 20 admix0 = 0.3 scratch = False mix_mu = 0.5 admix_mag = 1.0 orthog = True f_sparams = sparams.dat DoubleCounting = impurity runIMP = True max_iterations = 1000 Nom = 200 admix_rho = 1.0 runLDA = True DCs = fixn cut_ab = [-1000.0, 1000.0] start = 0 om_ab = [-10, 10] admix_frozen = 1.0 params = {'use_tetra': 1, 'mix_ham': 1.0, 'LowerBound': -20, 'admix0': 0.29999999999999999, 'scratch': False, 'mix_mu': 1.0, 'admix_mag': 1.0, 'orthog': False, 'DoubleCounting': '"impurity"', 'runIMP': True, 'max_iterations': 1000, 'Nom': 200, 'admix_rho': 1.0, 'runLDA': True, 'cut_ab': [-100, 100], 'start': 0, 'recompute_mu': True, 'admix_frozen': 1.0, 'gbroad': 0.01, 'UpdateAtom': False, 'Niter': 1, 'finish': 100, 'gammag': [0.0, 0.0], 'base': '"DMFTbase"', 'U': 0.0, 'T': 0.029999999999999999, 'a': 0.0, 'inpdir': '.', 'restBrdn': 15, 'solver': 'OCA', 'com': 0, 'tetrahedronOm': 1000, 'sdmu': 0.10000000000000001, 'broyden': True, 'om_ab': [-10, 10], 'max_metropolis_steps': 0, 'cix': None, 'admix_large': 0.29999999999999999, 'gamma': [0.0, 0.0], 'admixDM': 0.5} fh_info = gbroad = 0.01 UpdateAtom = False Niter = 10 finish = 1 f_params = params.dat gammag = [0.0, 0.0] base = DMFTbase U = 0.0 T = 0.03 admixDM = 0.5 iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[0, 1, 2], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [0.80000000000000004, '# Double counting parameter'], 'nom': [100, '# Number of Matsubara frequency points sampled'], 'aom': [10, '# Number of frequency points used to determin the value of sigma at nom'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'beta': [29.0, '# Inverse temperature'], 'U': [6.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [400, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [500000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)']} a = 0.0 inpdir = . restBrdn = 15 solver = CTQMC admix_large = 0.3 tetrahedronOm = 2 broyden = True recompute_mu = True max_metropolis_steps = 50000 cix = {1: {3: (1, 2, 3, 3, 2, 1, 4, 5, 6, 7, 7, 6, 5, 4)}} com = 0 gamma = [0.0, 0.0] sdmu = 0.1 #. # mu Eimp Edc nf 0. 0 6.963693 -1.907564 1.868000 1.008104 0. 1 6.966869 -1.910740 1.868000 1.007925 0. 2 6.969112 -1.912983 1.868000 1.008679 0. 3 6.968140 -1.912011 1.868000 1.009673 0. 4 6.970020 -1.913891 1.868000 1.010454 0. 5 6.967113 -1.910984 1.868000 1.009450 0. 6 6.964911 -1.908781 1.868000 1.007459 0. 7 6.965194 -1.909065 1.868000 1.007982 0. 8 6.967466 -1.911337 1.868000 1.008643 0. 9 6.967423 -1.911294 1.868000 1.009566