use_tetra = False mix_ham = 1.0 LowerBound = -30.0 admix0 = 0.3 scratch = False DCs = fixn mix_mu = 0.25 admix_mag = 1.0 orthog = False symmetrizeQ = True f_sparams = sparams.dat DoubleCounting = impurity runIMP = True max_iterations = 1000 Nom = 200 admix_rho = 1.0 runLDA = True om_ab = [-10, 10] cut_ab = [-1000.0, 1000.0] start = 0 kbroad = 0.03 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, 'recompute_mu': True, 'symmetrizeQ': True, 'DoubleCounting': '"impurity"', 'runIMP': True, 'max_iterations': 1000, 'Nom': 200, 'admix_rho': 1.0, 'runLDA': True, 'cut_ab': [-100, 100], 'start': 0, 'kbroad': 0.0, '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, 'orthog': False, '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 = 0.02 UpdateAtom = False Niter = 40 finish = 1 f_params = params.dat gammag = [0.029999999999999999, 0.029999999999999999] 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'], 'FirstLorentz': [0, '#First pseudoparticle which could be augmented with lorentz'], 'Th': [0.5, '#Parameter to improve the high frequency self-energy'], 'SearchLorentz': [2.5, '#How far from zero to search fro Lorentz'], 'nc': [[12, 13, 14], '#Impurity occupancies'], 'StartLambda': [-20.0, '#Where to start looking for zero to determin lambda0'], 'dLambda': [0.10000000000000001, '#Step in searching for the lambda'], 'nf0': [13.42, '#Double counting parameter'], 'max_diff': [0.001, '#Maximum difference between steps'], 'Ncentral': [[13], '#Central occupancies for OCA diagrams evaluation'], 'LastLorentz': [10000, '#Last pseudoparticle which could be augmented with lorentz'], 'cutAc': [[-15.0, 15.0], '#Only window [La,Lb] of baths spectra is taken into account'], 'epsilon': [[[-15, -4.0], [4.0, 15.0]], '#Parameter to improve the high frequency self-energy'], 'J': [1.0800000000000001, '#Coulomb repulsion (F0)'], 'LorentzMaxRatio': [1.0, '#How far from zero to search for Lorentz'], 'Q': [8.0, '#A parameter to determin lambda0'], 'U': [8.1199999999999992, '#Coulomb repulsion (F0)'], 'T': [0.01, '#Temperature'], 'alpha': [0.29999999999999999, '#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)'], 'EndLambda': [1.0, '#Where to stop searching for the lambda0'], 'followPeak': [9, '#A mode to determin lambda0'], 'max_steps': [30, '#Maximum number of impurity steps'], 'Ep': [[4.2000000000000002, 3, 3], '#Approximate treatment of states.'], 'Gh': [0.5, '#Parameter to improve the high frequency self-energy']} a = 0.0 inpdir = . restBrdn = 15 solver = OCA admix_large = 0.3 tetrahedronOm = 0.0 broyden = True recompute_mu = True max_metropolis_steps = 200000 cix = {1: 3} com = 0 gamma = [0.029999999999999999, 0.029999999999999999] sdmu = 0.3 #. # mu Eimp Edc nf 0. 0 13.068436 -98.750054 98.203600 12.987952 0. 1 13.072009 -100.048378 98.203600 13.088334 0. 2 13.027668 -100.004035 98.203600 13.062724 0. 3 12.975543 -99.951910 98.203600 13.036133 0. 4 12.977031 -99.953399 98.203600 13.036082 0. 5 12.958135 -99.934503 98.203600 13.031313 0. 6 12.988320 -99.964687 98.203600 13.035565 0. 7 12.986415 -99.962783 98.203600 13.035040 0. 8 12.985467 -99.961835 98.203600 13.034775 0. 9 12.985019 -99.961387 98.203600 13.034650 0. 10 12.984873 -99.961241 98.203600 13.034615 0. 11 12.984816 -99.961183 98.203600 13.034604 0. 12 12.984843 -99.961210 98.203600 13.034619 0. 13 12.984845 -99.961212 98.203600 13.034623 0. 14 12.984850 -99.961218 98.203600 13.034629 0. 15 12.984853 -99.961220 98.203600 13.034632 0. 16 12.984855 -99.961223 98.203600 13.034635 0. 17 12.984856 -99.961224 98.203600 13.034637 0. 18 12.984857 -99.961225 98.203600 13.034638 0. 19 12.984858 -99.961226 98.203600 13.034639 0. 20 12.984859 -99.961226 98.203600 13.034640 0. 21 12.984859 -99.961227 98.203600 13.034641 0. 22 12.984859 -99.961227 98.203600 13.034641 0. 23 12.984859 -99.961227 98.203600 13.034641 0. 24 12.984860 -99.961227 98.203600 13.034642 0. 25 12.984860 -99.961227 98.203600 13.034642 0. 26 12.984860 -99.961227 98.203600 13.034642 0. 27 12.984860 -99.961227 98.203600 13.034642 0. 28 12.984860 -99.961227 98.203600 13.034642 0. 29 12.984860 -99.961227 98.203600 13.034642 0. 30 12.984860 -99.961227 98.203600 13.034642 0. 31 12.984860 -99.961228 98.203600 13.034642 0. 32 12.984860 -99.961228 98.203600 13.034642 0. 33 12.984860 -99.961228 98.203600 13.034642 0. 34 12.984860 -99.961228 98.203600 13.034642 0. 35 12.984860 -99.961228 98.203600 13.034642 0. 36 12.984860 -99.961228 98.203600 13.034642 0. 37 12.984860 -99.961228 98.203600 13.034642 0. 38 12.984860 -99.961228 98.203600 13.034642