use_tetra = False mix_ham = 1.0 LowerBound = -30.0 admix0 = 0.3 scratch = False mix_mu = 1.0 admix_mag = 1.0 orthog = False 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 = [0.01, 0.01] base = DMFTbase U = 0.0 T = 0.03 admixDM = 0.5 iparams0 = {'lorentz': [1, '#Weather to subtract lorentz from diverging spectral functions and treat it analytically'], 'StartLambda': [-20.0, '#Where to start looking for zero to determin lambda0'], 'Th': [0.5, '#Parameter to improve the high frequency self-energy'], 'SearchLorentz': [2.5, '#How far from zero to search fro Lorentz'], 'nc': [[0, 1, 2], '#Impurity occupancies'], 'FirstLorentz': [0, '#First pseudoparticle which could be augmented with lorentz'], 'dLambda': [0.10000000000000001, '#Step in searching for the lambda'], 'nf0': [0.90000000000000002, '#Double counting parameter'], 'max_diff': [0.001, '#Maximum difference between steps'], 'Ncentral': [[1], '#Central occupancies for OCA diagrams evaluation'], 'LastLorentz': [10000, '#Last pseudoparticle which could be augmented with lorentz'], 'cutAc': [[-10.0, 10.0], '#Only window [La,Lb] of baths spectra is taken into account'], 'epsilon': [[[-10, -4.0], [4.0, 10.0]], '#Parameter to improve the high frequency self-energy'], 'EndLambda': [1.0, '#Where to stop searching for the lambda0'], 'LorentzMaxRatio': [1.0, '#How far from zero to search for Lorentz'], 'Q': [10.0, '#A parameter to determin lambda0'], 'U': [5.0, '#Coulomb repulsion (F0)'], 'T': [0.00085999999999999998, '#Temperature'], 'alpha': [0.5, '#Mixing for bath spectral function'], 'exe': ['oca', '#Name of the executable'], 'CmpDiff': [-1, '#When calculating Difference, only first CmpDiff particles should be taken into account (-1,all)'], 'followPeak': [-1, '#A mode to determin lambda0'], 'max_steps': [30, '#Maximum number of impurity steps'], 'Gh': [0.5, '#Parameter to improve the high frequency self-energy']} a = 0.0 inpdir = . restBrdn = 15 solver = OCA admix_large = 0.3 tetrahedronOm = 1000 broyden = True recompute_mu = True max_metropolis_steps = 50000 cix = {1: 3} com = 0 gamma = [0.01, 0.01] sdmu = 0.1 #. # mu Eimp Edc nf 0. 0 7.557112 -1.852479 2.034000 1.036536 0. 1 7.554739 -1.850106 2.034000 1.036390 0. 2 7.556446 -1.851813 2.034000 1.036513 0. 3 7.554651 -1.850018 2.034000 1.036386 0. 4 7.556447 -1.851814 2.034000 1.036493 0. 5 7.554707 -1.850074 2.034000 1.036392 0. 6 7.556451 -1.851818 2.034000 1.036508 0. 7 7.554683 -1.850050 2.034000 1.036376 0. 8 7.556517 -1.851884 2.034000 1.036541 0. 9 7.554640 -1.850007 2.034000 1.036372