# 6.3.1.4.5. kmcmultiple

Kinetic Monte Carlo simulations of multiple holes or electrons in periodic boundary conditions 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
--- | --- | --- | ---
runtime | 1e-4 | Simulated time in seconds (if a number smaller than 100 is given) or number of KMC steps (if a number larger than 100 is given) | float+
outputtime | 1E-8 | Time difference between outputs into the trajectory file. Set to 0 if you wish to have no trajectory written out. | float+
trajectoryfile | trajectory.csv | Name of the trajectory file |
ratefile | rates.dat | File to write rates |
occfile | occupation.dat | File to write occupation |
seed | 123 | Integer to initialise the random number generator | 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
numberofcarriers | 1 | Number of electrons/holes in the simulation box | int+
field | 0.0 0.0 0.0 | external electric field |
carriertype | electron | Specifies the carrier type of the transport under consideration. | electron hole singlet triplet
temperature | 300 | Temperature in Kelvin. | float+
maxrealtime | 1E10 | Maximum clocktime allow to the calculation(Seconds) | float+
ignoresegments |  | Segment types to be ignored in KMC |

Note

An xml file containing the defaults for the kmcmultiple calculator can be created via -p kmcmultiple -o FILENAME command line options `