networkfit ********** Fits a stochastic network model (Baumeier et al., Phys. Rev. B 86, 184202 (2012)) to the sites, site energies and couplings of a state file and writes the parameter file for networkgen The following table contains the defaults input options for the calculator, The default `OPTIONAL` means this option is switched off, if no input is given. `REQUIRED` arguments have to be specified, otherwise an error is thrown. .. list-table:: :header-rows: 1 :widths: 30 20 15 15 :align: center * - Property Name - Default Value - Description - Valid Input * - job_name - system - | Input file name without extension, also used for the default | file names - * - statefile - OPTIONAL - | State file with site energies and couplings, if not given | job_name.hdf5 - * - frame - -1 - Frame of the state file; -1: the first - int * - carriers - e h - | Carrier types to fit (at most two are correlated with | each other) - * - parameterfile - OPTIONAL - Parameter file to write, if not given job_name_network.xml - * - energyfile - OPTIONAL - | Optional ASCII file with positions and site energies of | the microscopic system, and for each carrier whether the | site belongs to one of its traps - * - statsfile - OPTIONAL - | Optional ASCII file with the fitted functions (microscopic, | model) for plots - * - bin - 0.05 - | Width of the distance bins of all distance dependent functions | - float+ * - correlationcutoff - 0 - | Largest distance for the energy correlation fit; 0: half | the box - float+ * - l_b - 2 20 1 - Grid of the short-range moving average: first, last, step - * - l_c - 20 500 20 - | Grid of the long-range moving average: first, last, step | (values above the number of sites are skipped) - * - quantiles - 100 - | Number of quantiles of the standardized coupling residuals; | 0: Gaussian - int+ * - points.fit - true - Fit the point process; false: use the values below - bool * - points.realizations - 4 - Realizations averaged per evaluation of the fit - int+ * - points.evaluations - 150 - Largest number of evaluations of the fit - int+ * - points.candidates - 3 - | Candidate points per iteration, in units of the number | of sites - float+ * - points.maxiterations - 200 - Largest number of iterations of the point process - int+ * - points.hardcore - 0.35 - Hard-core radius if not fitted - float+ * - points.radiusmean - 0.15 - Mean of the random part of the radii if not fitted - float+ * - points.radiusvariance - 0.004 - Variance of the random part of the radii if not fitted - float+ * - traps.find - true - Identify traps; false: all sites are bulk - bool * - traps.threshold - 0.9 - | Sites whose normalized density-mode entry exceeds this | belong to a trap (the parameter a of the paper) - float+ * - traps.gap - 10 - | A trap releases a carrier at least this many times slower | than the first fast mode of the network relaxes - float+ * - traps.mass - 0.5 - | A trap carries at least this fraction of the weight of | its side of the slow density mode - float+ * - traps.maxsize - 20 - Largest number of sites of a trap - int+ * - traps.maxsites - 5000 - Largest number of sites for the dense eigenvalue problem - int+ * - seed - 1 - | Seed of the random numbers of the fit and of the parameter | file - int+ * - validate - 4 - | Number of model networks of the same size whose statistics | are compared with the microscopic system (mean and standard | deviation over the networks); 0: none - int+ * - temperature - 300 - | Temperature of the rates for the trap identification and | of the finite-size check of the density of states - float+ .. note:: An *xml* file containing the defaults for the `networkfit` calculator can be created via `-p networkfit -o FILENAME` command line options `