
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.

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   * - 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 `
