12.4.1.4.13. 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.

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 `