kmclifetime *********** Perform Kinetic Monte Carlo simulations of singlets with decay 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 * - lifetimefile - lifetimes.xml - File from which lifetimes are read in. - * - ratefile - rates.dat - File containing the rates - * - trajectoryfile - trajectory.csv - Name of the trajectory file - * - numberofinsertions - 4000 - number of decays to simulate - int+ * - seed - 23 - Integer to initialise the random number generator - int+ * - numberofcarriers - 1 - Number of electrons/holes in the simulation box - int+ * - injectionpattern - * - | Name pattern that specifies on which sites injection is | possible. Use the wildcard '*' to inject on any site. - * - injectionmethod - random - | random: injection sites are selected randomly (generally | the recommended option); equilibrated: sites are chosen | such that the expected energy per carrier is matched, | possibly speeding up convergence - random * - temperature - 300 - Temperature in Kelvin. - int+ * - occfile - occupation.dat - File with the occupations - * - maxrealtime - 1E10 - Maximum clocktime allow to the calculation - float+ * - ignoresegments - - Segment types to be ignored in KMC - * - carrierenergy.run - false - Switch on/off - bool * - carrierenergy.outputfile - energies.csv - File to write energies to - * - carrierenergy.alpha - 0.05 - Smoothing energy profile - float+ * - carrierenergy.outputsteps - 10 - Write to file every x steps - int+ .. note:: An *xml* file containing the defaults for the `kmclifetime` calculator can be created via `-p kmclifetime -o FILENAME` command line options `