use_tetra = False mix_ham = 1.0 LowerBound = -30.0 admix0 = 0.3 scratch = False mix_mu = 0.3 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 = [-100.0, 100.0] 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 = 30 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': [[3, 4, 5, 6, 7], '#Impurity occupancies'], 'FirstLorentz': [0, '#First pseudoparticle which could be augmented with lorentz'], 'dLambda': [0.10000000000000001, '#Step in searching for the lambda'], 'nf0': [5.0, '#Double counting parameter'], 'max_diff': [0.001, '#Maximum difference between steps'], 'Ncentral': [[5], '#Central occupancies for OCA diagrams evaluation'], 'LastLorentz': [10000, '#Last pseudoparticle which could be augmented with lorentz'], 'cutAc': [[-6.0, 6.0], '#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': [8.0, '#A parameter to determin lambda0'], 'U': [4.5, '#Coulomb repulsion (F0)'], 'T': [0.029999999999999999, '#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': [20, '#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 5.663808 -19.368989 19.226000 5.026206 0. 1 5.667843 -19.373027 19.226000 5.027654 0. 2 5.671099 -19.376282 19.226000 5.027062 0. 3 5.671957 -19.377140 19.226000 5.025889 0. 4 5.676440 -19.381622 19.226000 5.028222 0. 5 5.677333 -19.382516 19.226000 5.025418 0. 6 5.673921 -19.379107 19.226000 5.028128 0. 7 5.677836 -19.383020 19.226000 5.019743 0. 8 5.675545 -19.380736 19.226000 5.027466 0. 9 5.674298 -19.379481 19.226000 5.032530 0. 10 5.674522 -19.379696 19.226000 5.026951 0. 11 5.676136 -19.381320 19.226000 5.020955 0. 12 5.678856 -19.384046 19.226000 5.038687 0. 13 5.678916 -19.384078 19.226000 5.027684 0. 14 5.678436 -19.383612 19.226000 5.023256 0. 15 5.666495 -19.371683 19.226000 5.023573 0. 16 5.659209 -19.364396 19.226000 5.021385 0. 17 5.660446 -19.365636 19.226000 5.023482 0. 18 5.666343 -19.371531 19.226000 5.021249 0. 19 5.669384 -19.374574 19.226000 5.028047 0. 20 5.672938 -19.378121 19.226000 5.023092 0. 21 5.671636 -19.376824 19.226000 5.023321 0. 22 5.664482 -19.369670 19.226000 5.024935 0. 23 5.669010 -19.374195 19.226000 5.029127 0. 24 5.671534 -19.376715 19.226000 5.032220 0. 25 5.671940 -19.377118 19.226000 5.032040 0. 26 5.670765 -19.375944 19.226000 5.074567 0. 27 5.677250 -19.382284 19.226000 5.023596 0. 28 5.679808 -19.384990 19.226000 5.033571 0. 29 5.678219 -19.383395 19.226000 5.026995