Usage
*****


Graphical User Interface
========================

The Bumblebee GUI manages the creation (**BBinput**), submission
(**AMSjobs**) and analysis (**BBresults**) of Bumblebee simulations.
With **BBinput** you create a project file (.bee) containing the
simulation/device settings. A run script (.run) is also created
automatically. The run script can be executed by **AMSjobs**. The
output is stored in a directory (.results) which can be examined with
**BBresults**.


BBinput: Setting up the Simulation
==================================

Simulation setup can be divided into two steps:

* Define the stack

* Specify parameters and simulation details

This approach allows you to re-use stacks from earlier simulations in
order to easily run multiple analyses. Or, when optimizing a stack,
you can re-use the same simulation settings with a modified device.

The OLED stack consists of multiple layers. Each layer has a material
composition and a certain thickness. After building the stack, you
specify the active processes (TPQ, degradation), simulation parameters
(voltage, temperature) and the simulation type (JV, TOF, TRPL).

The GUI tutorials can help you get familiar with running Bumblebee
simulations. Tooltips are provided in **BBinput** to explain various
settings and assist in simulation setup.

**BBinput** also includes various templates for e.g. material classes
or simulation types. These allow you to automatically configure most
of the settings for commonly-used jobs. Details on these templates and
some of the recommended settings are provided in the following
sections.


Materials
---------

The materials page allows definition of the properties for the various
materials to be used in the stack.


Material templates
~~~~~~~~~~~~~~~~~~

Several template settings are available to expedite the configuration
of new materials.

* Host layers allow for non-radiative decay of both singlet and
  triplet species

* Transport layers do not emit light

* Fluorescent dyes assume all singlet decay processes to be radiative

* Phosphorescent dyes assume all excitons to be triplets. All decay
  processes are assumed to be radiative

* TADF dyes assume triplet decay to occur through ISC

* Optical layers do not participate in charge carrier processes and
  are included only to enable calculation of optical device parameters

* Advanced materials disable all presets


Material database
~~~~~~~~~~~~~~~~~

A database of commonly used and commercially available OLED materials
is included with **BBinput**. The material parameters have been
obtained primarily using experimental data.

Database materials can be used to quickly substitute and explore
different stack configurations.


Compositions
------------

From the materials, compositions can be defined by using nanoscale
distributions (mixtures) of multiple materials. If a composition is
made of only one material it is called a pure composition.

* Basic compositions are defined as a mixture of materials with a
  specific ratio. Components are distributed randomly within the
  layer. Mesoscopic layer properties (such as the absorbance) are
  computed as a stoichiometric average of the material parameters

* Advanced compositions allow usage of gradients to construct more
  complex distributions, as well as the creation of polymeric
  morphologies


Stack
-----

A stack is composed of a number or layers, each with their own
composition and thickness. Inter-layer transfer processes can be
defined based on the molecular layer properties.


Parameters
----------

The parameters section contains the general simulation settings. For
clarity, these have been organized into tabs.

* The **Main** tab contains device settings (voltage, temperature,
  electrodes)

* The **Modules** tab is used to toggle different aspects of the
  simulation (excitonic processes, photoluminescence, device
  degradation)

* The **Output** tab controls what properties are calculated in the
  output

* The **Volume** tab is used to set the device size as well as the
  spatial energy correlations

* The **Termination** tab sets the length of the simulation

* The **Transient** tab configures time-dependent simulation
  parameters (such as pulsed illumination or AV)

* The **OFET** tab is used to set up simulations of transistor devices

* The **Photoluminescence** tab contains photoabsorption settings for
  photoluminescence simulations

* The **Acceleration** tab contains the accelerated kMC settings

* The **Annealing** tab is used to configure annealing and pre-
  equilibration stages

* The **Advanced** tab contains technical simulations parameters

* The **Optical** tab controls the optical simulation settings for
  Firefly


Parameter templates
~~~~~~~~~~~~~~~~~~~

Template parameter sets are provided to automatically configure
modules and commonly used settings for the various simulation types
facilitated by Bumblebee.

* **Single voltage points** allow simulation of excitonic processes at
  DC

* **Voltage sweeps** automatically configure the voltage as the
  simulation sweep parameter. Hole-only and electron-only versions
  allow specification of a fixed carrier density

* **Bulk** simulations enable periodic boundary conditions (PBC) for
  TOF experiments. Excitonic processes are disabled by default, as
  these simulations typically use low carrier densities.

* **Lifetime** simulations include device degradation processes

* **Photoluminescence** simulations model current generation upon
  light exposure. PBC are enabled. Grid densities are doubled compared
  to other defaults to account for polaron interactions

* **Photovoltaic** and **photodetector** simulations model
  photoluminescence processes under closed circuit conditions

* **Transistor** simulations are used to model OFETs

* **Optical** simulations automatically configure Firefly for optical
  outcoupling calculations

* **Advanced** simulations disable presets

Photoluminescent, photovoltaic and photodetector presets enable
transient output files by default.


Simulation
----------

The simulation page allows you to define

* Parameter sweeps

* Stochastic trajectory sampling

Bumblebee typically uses multiple trajectories to improve the kMC
statistics. This results in lower uncertainties in the simulated
device performance.

Parameter sweeps allow you to run the same simulation while changing
certain parameter values. Each sweep point will be submitted as a
separate job (with its own set of trajectories). BBresults
automatically collects the output from the parameter sweep to generate
reports and visualize the results.


AMSjobs
=======

**AMSjobs** is used to manage running Bumblebee simulations, allowing
use of remote queues for submitting jobs to compute clusters.
**AMSjobs** can also be used to access **BBinput** and **BBresults**.
You can select simulations in **AMSjobs** to view/modify input
settings in **BBinput**, or to use **BBresults** for visualization or
monitoring.

When starting Bumblebee jobs, it is recommended not to let the number
of cores exceed the number of trajectories. Consult the queue setup
guide for more details on configuring core allocation. For
convenience, the number of trajectories is shown in the main
**Project** page of **BBinput**.


BBresults: Visualization
========================

**BBresults** provides many report options for analyzing Bumblebee
output. Both graphs and tables are included in the reports.
**BBresults** can also be used to monitor ongoing simulations.

* The **Status** tab shows the status of the ongoing simulations for
  each sweep and trajectory

  * Trajectories can be selected to view the convergence of the
    simulation

  * You can terminate trajectories from the monitor view. (Without
    affecting other jobs)

  * You can request additional trajectories to improve statistics

  * You can request additional sweep points to extend screenings

* **Device** reports summarize device-level performance metrics. These
  reports also display the parameter sweep results when varying
  external parameters (such as the voltage)

  * **Overview** reports yield the voltage-current profiles,
    integrated quantum efficiency, external quantum efficiency,
    voltage-dependent process frequencies and carrier densities

  * **Profiles** report on the carrier densities and photo-electronic
    process frequencies

  * **Excitonic events** report on the relative process frequencies
    and are used to break down device losses

  * **Effective mobility** reports on the voltage-dependent polaron
    mobility for TOF measurements

  * **Luminance** reports give the effective device luminance for the
    CIE 1931 and CIE 1978 standard eye responses, in addition to the
    power efficiency

* **Sweep** reports collect output of multiple kMC trajectories for
  each sweep point

  * **Overview** shows the average carrier densities, photo-electronic
    process frequencies and device potential

  * **Convergence** reports aggregate statistics on the transient
    current profiles and integrated quantum efficiency

  * **Emission** shows the computed emission spectrum

  * **Photoluminescence** reports on the radiative excitation rates
    and exciton densities

  * **Optical** reports outcoupling efficiencies for individual layer
    materials

  * **Material profiles** report on carrier densities and photo-
    electronic process frequencies for individual layer materials

  * **Time progress** reports aggregate statistics on transient
    current profiles, carrier densities, photo-electronic process
    frequencies, voltages and device degradation

* **Trajectory** reports display the output of individual kMC
  trajectories

  * **Overview** shows the transient carrier densities, photo-
    electronic process frequencies and device potential

  * **Convergence** shows the transient current profile

  * **Morphology** shows the distribution of materials in the stack

* **Optical** reports display the optical output from the device:
  Polarized outcoupling intensities, outcoupling efficiencies and
  anisotropic Purcell factors.

  * **Outcoupling efficiency** reports device-level outcoupling
    efficiencies

  * **Output intensity** contains the polarized outcoupling intensity

  * **Purcell** displays the anisotropic Purcell factors

The available reports are shown depending on the output generated by
the simulation. Parameter set templates automatically configure output
for relevant processes.


Input Files
===========

**BBinput** automatically generates the input files necessary to run
Bumblebee simulations. Relevant data can be found in the following
files:

* *params.yml* contains the simulation settings (materials,
  compositions, stack, parameters)

* *optical* contains the simulation data for optical simulations
  (complex refractive indices, emission spectra)


Output Files
============

Bumblebee output is split across various files.

* Human-readable *.out* files detailing the computed device parameters
  or simulation statistics

* Binary *.dat* files contain trajectory snapshots that can be
  analyzed to investigate the individual kMC samples. 64 bit floating
  point precision is used

Visualization and analysis of these files is handled automatically by
**BBresults**. An overview of the files is provided here if custom
visualization, analysis or post-processing is desired.

Tip:

  You can also export the graph data from **BBresults** for
  visualization in other programs.

General output:

* *output.log* documents the progress of the Bumblebee simulation

* *disorder_result.out* stores the simulation summary for the final
  Monte Carlo step

* *time_progress.out* summarizes the simulation progress results

* *param_overview.out* records the input parameters after Bumblebee
  pre-processing and input sanitation

Time-averaged device profiles:

* *elec_profile.out* and *hole_profile.out* report the time-average
  cross-sectional polaron charge. The combined charge profile is
  stored in *chargedens_profile.out*

* *mat_elec_profile.out* and *mat_hole_profile.out* contain the time-
  average cross-sectional polaron charge per material. Separate files
  are generated for each material

* *singlet_profile.out* and *triplet_profile.out* report the time-
  average cross-sectional exciton counts

* *mat_singlet_profile.out* and *mat_triplet_profile.out* contain the
  time-average cross-sectional exciton counts per material. Separate
  files are generated for each material

* *potential_profile_normal.out* contains the time-average cross-
  sectional voltage potential. *potential_profile_disccutout.out*
  reports the voltage potential after including the short-range
  Coulomb corrections. *potential_profile_incl_impot.out* reports the
  voltage potential after including periodic image charges.
  *potential_profile_disccutout_incl_impot.out* reports the voltage
  potential after including both the short-range Coulomb corrections
  and periodic image charges

Transient device profiles:

* *electroncurrent.out* and *holecurrent.out* report the polaron
  fluxes for each cross-section. The first entry on each line gives
  the timestamp. The net charge flux is reported in *layercurrent.out*

* *electroncurrentx.out* and *holecurrentx.out* report the polaron
  fluxes along the OFET gate for each cross-section. The first entry
  on each line gives the timestamp. The net charge flux is reported in
  *layercurrentx.out*

* *recombination_abs_profile.out* reports the cross-sectional
  radiative exciton recombination event count. The first entry on each
  line gives the timestamp. *recombination_rate_profile.out* reports
  the per-gridpoint, per-timestep average inside each cross-section

* *generation_abs_profile.out* reports the cross-sectional exciton
  generation event count. The first entry on each line gives the
  timestamp. *generation_rate_profile.out* reports the per-gridpoint,
  per-timestep average inside each cross-section

* *dissociation_abs_profile.out* reports the cross-sectional exciton
  dissociation event count. The first entry on each line gives the
  timestamp. *dissociation_rate_profile.out* reports the per-
  gridpoint, per-timestep average inside each cross-section

* *thermal_generation_abs_profile.out* reports the cross-sectional
  thermal exciton generation event count. The first entry on each line
  gives the timestamp. *thermal_generation_rate_profile.out* reports
  the per-gridpoint, per-timestep average inside each cross-section

* *electron_quenching_abs_profile.out* and
  *hole_quenching_abs_profile.out* report the cross-sectional electron
  and hole quenching event counts. The first entry on each line gives
  the timestamp. *quenching_abs_profile.out* reports the total
  quenching event count. *electron_quenching_rate_profile.out*,
  *hole_quenching_rate_profile.out* and *quenching_rate_profile.out*
  report the respective per-gridpoint, per-timestep averages inside
  each cross-section.

* *annihilation_abs_profile.out* reports the cross-sectional exciton
  annihilation event count. The first entry on each line gives the
  timestamp. *annihilation_rate_profile.out* reports the per-
  gridpoint, per-timestep average inside each cross-section

* *nonrad_decay_abs_profile.out* reports the cross-sectional non-
  radiative exciton decay event count. The first entry on each line
  gives the timestamp. *nonrad_decay_rate_profile.out* reports the
  per-gridpoint, per-timestep average inside each cross-section

* *absorption_abs_profile.out* reports the cross-sectional photonic
  absorption event count. The first entry on each line gives the
  timestamp. *absorption_rate_profile.out* reports the per-gridpoint,
  per-timestep average inside each cross-section

* *degradation_abs_profile.out* reports the cross-sectional
  degradation event count. The first entry on each line gives the
  timestamp. *degradation_rate_profile.out* reports the per-gridpoint,
  per-timestep average inside each cross-section

* *exciplex_decay_abs_profile.out* reports the cross-sectional
  radiative exciplex decay event count. The first entry on each line
  gives the timestamp. *exciplex_decay_rate_profile.out* reports the
  per-gridpoint, per-timestep average inside each cross-section

* *exciplex_nonrad_decay_abs_profile.out* reports the cross-sectional
  non-radiative exciplex decay event count. The first entry on each
  line gives the timestamp. *exciplex_nonrad_decay_rate_profile.out*
  reports the per-gridpoint, per-timestep average inside each cross-
  section

* *exciplex_thermal_generation_abs_profile.out* reports the cross-
  sectional thermal exciplex generation event count. The first entry
  on each line gives the timestamp.
  *exciplex_thermal_generation_rate_profile.out* reports the per-
  gridpoint, per-timestep average inside each cross-section

* *transient_elec_profile.out* and *transient_hole_profile.out* report
  the cross-sectional polaron charges. The first entry on each line
  gives the timestamp

* *transient_mat_elec_profile.out* and
  *transient_mat_hole_profile.out* contain the cross-sectional polaron
  charge per material. Separate files are generated for each material.
  The first entry on each line gives the timestamp

* *transient_singlet_profile.out* and *transient_triplet_profile.out*
  report the cross-sectional exciton counts. The first entry on each
  line gives the timestamp

* *transient_mat_singlet_profile.out* and
  *transient_mat_triplet_profile.out* contain the cross-sectional
  exciton counts per material. Separate files are generated for each
  material. The first entry on each line gives the timestamp

* *transient_potential_profile_normal.out* contains the cross-
  sectional voltage potential.
  *transient_potential_profile_disccutout.out* reports the voltage
  potential after including the short-range Coulomb corrections.
  *transient_potential_profile_incl_impot.out* reports the voltage
  potential after including periodic image charges.
  *transient_potential_profile_disccutout_incl_impot.out* reports the
  voltage potential after including both the short-range Coulomb
  corrections and periodic image charges. The first entry on each line
  gives the timestamp

Transient trajectories: (Note that these generate significant amounts
of data)

* *transient_recombination_abs_profile.out* reports the cross-
  sectional radiative exciton recombination event count during each
  individual iteration

* *transient_quenching_abs_profile.out* reports the total cross-
  sectional polaron quenching event count during each individual
  iteration

* *transient_annihilation_abs_profile.out* reports the cross-sectional
  exciton annihilation event count during each individual iteration

* *transient_nonrad_decay_abs_profile.out* reports the cross-sectional
  non-radiative exciton decay event count during each individual
  iteration

* *transient_exciplex_decay_abs_profile.out* reports the cross-
  sectional radiative exciplex decay event count during each
  individual iteration

* *transient_exciplex_nonrad_decay_abs_profile.out* reports the cross-
  sectional non-radiative exciplex decay event count during each
  individual iteration

* *transient_exciplex_tgens_abs_profile.out* reports the cross-
  sectional thermal exciplex generation event count during each
  individual iteration

Locations of electronic species:

* *carrier_config.dat* and *carrier_config_pt.out* report on the
  charge carrier positions. For each species, the carrier coordinates
  are followed by the polaron type (0 indicates an electron, 1
  indicates a hole)

* *exciton_config.dat* and *exciton_config_pt.out* report on the
  charge carrier positions. For each species, the carrier coordinates
  are followed by the exciton type (1 indicates a singlet, 3 indicates
  a triplet)

Properties per gridpoint:

* *composition.dat* and *composition_plaintext.out* record the
  material ID for each gridpoint inside the stack

* *disorder.dat* and *disorder_plaintext.out* report on the energetic
  disorder in the HOMO and LUMO levels at each gridpoint

* *excitonic_disorder.dat* and *excitonic_disorder_plaintext.out*
  report on the energetic disorder in the singlet and triplet levels
  at each gridpoint. *exciton_binding_energies.out* reports on the
  singlet and triplet binding energies at each gridpoint

* *kappa.dat* and *kappa_plaintext.out* report on the transition
  multipole orientations at each gridpoint

* *electrons_per_site.out* and *holes_per_site.out* report the time-
  average polaron charge for each gridpoint

* *singlets_per_site.out* and *triplets_per_site.out* report the time-
  average exciton counts for each gridpoint

* *transient_composition.dat* and
  *transient_composition_plaintext.out* record the material ID for
  each gridpoint inside the stack. The first entry on each line gives
  the timestamp

* *transient_disorder.dat* and *transient_disorder_plaintext.out*
  report on the energetic disorder in the HOMO and LUMO levels at each
  gridpoint. The first entry on each line gives the timestamp

* *transient_excitonic_disorder.dat* and
  *transient_excitonic_disorder_plaintext.out* report on the energetic
  disorder in the singlet and triplet levels at each gridpoint.
  *transient_exciton_binding_energies.out* reports on the singlet and
  triplet binding energies at each gridpoint. The first entry on each
  line gives the timestamp

A one-dimensional gridpoint indexing system is used. The gridpoint
coordinates can be obtained from the (0-based) index k as:

   x &= k\bmod N_X \\ y &= \frac{k}{N_X}\bmod N_Y \\ z &=
   \frac{k}{N_XN_Y}\bmod N_Z

Event log per gridpoint:

* *singlet_recomb_per_site.out* and *triplet_recomb_per_site.out*
  report the number of singlet and triplet recombination events that
  occurred at each gridpoint. *recomb_per_site.out* reports on the
  total number of recombination events. Each line in these files
  contains the gridpoint coordinates, followed by the event count

* *singlet_gens_per_site.out* and *triplet_gens_per_site.out* report
  the number of singlet and triplet generation events that occurred at
  each gridpoint. *gen_per_site.out* reports on the total number of
  generation events. Each line in these files contains the gridpoint
  coordinates, followed by the event count

* *singlet_dis_per_site.out* and *triplet_dis_per_site.out* report the
  number of singlet and triplet dissociation events that occurred at
  each gridpoint. *dis_per_site.out* reports on the total number of
  dissociation events. Each line in these files contains the gridpoint
  coordinates, followed by the event count

* *singlet_quenchings_per_site.out* and
  *triplet_quenchings_per_site.out* report the number of singlet and
  triplet quenching events that occurred at each gridpoint.
  *quenchings_per_site.out* reports on the total number of quenching
  events. Each line in these files contains the gridpoint coordinates,
  followed by the event count

* *singlet_anns_per_site.out* and *triplet_anns_per_site.out* report
  the number of singlet and triplet annihilation events that occurred
  at each gridpoint. *anns_per_site.out* reports on the total number
  of annihilation events. Each line in these files contains the
  gridpoint coordinates, followed by the event count

* *singlet_nonrads_per_site.out* and *triplet_nonrads_per_site.out*
  report the number of non-radiative singlet and triplet decay events
  that occurred at each gridpoint. *nonrads_per_site.out* reports on
  the total number of non-radiative decay events. Each line in these
  files contains the gridpoint coordinates, followed by the event
  count

* *singlet_iscs_per_site.out* and *triplet_iscs_per_site.out* report
  the number of intersystem and reverse intersystem crossing events
  that occurred at each gridpoint. *iscs_per_site.out* reports on the
  total number of crossing events. Each line in these files contains
  the gridpoint coordinates, followed by the event count

* *singlet_tgens_per_site.out* and *triplet_tgens_per_site.out* report
  the number of thermal singlet and triplet generation events that
  occurred at each gridpoint. *tgens_per_site.out* reports on the
  total number of thermal generation events. Each line in these files
  contains the gridpoint coordinates, followed by the event count

* *abs_per_site.out* records the number of photonic absorption events
  that occurred at each gridpoint

* *degradations_per_site.out* records the number of degradation events
  that occurred at each gridpoint

* *exciplex_decay_per_site.out* records the number of radiative
  exciplex decay events that occurred at each gridpoint

* *exciplex_nonrads_per_site.out* records the number of non-radiative
  exciplex decay events that occurred at each gridpoint

* *exciplex_tgens_per_site.out* records the number of thermal exciplex
  generation events that occurred at each gridpoint

Transient event log:

* *eventlog.out* records all photo-electronic events. Switches are
  available to select (0) polaron hopping, (1) polaron injection at
  the electrodes, (2) polaron collection at the electrodes, (3)
  radiative exciton recombination, (4) exciton generation, (6) thermal
  exciton generation, (7) exciton hopping, (8) non-radiative exciton
  decay, (9) exciton annihilation, (10) polaron quenching, (11)
  exciton dissociation, (12) intersystem crossing, (13) photonic
  absorption, (14) degradation, (15) radiative exciton decay, (16)
  non-radiative exciton decay, (17) thermal exciplex generation, (18)
  polaron-induced exciton recombination and/or (19) transfer-induced
  polaron quenching. For each event, the gridpoint, reactant and
  product are reported (0 for electrons, 1 for holes, 2 for singlets,
  3 for triplets). For degradation events, the degradation mechanism
  and product material are reported instead (0 for exciton generation,
  1 for polaron quenching, 2 for exciton annihilation, 3 for hole
  quenching, 4 for electron quenching, 5 for photonic absorption, 6
  for polaron hopping)

* *emissionlog.out* records the location of individual exciton
  recombination events. For each event, the exciton type and energy
  are reported

* *degradationlog.out* records the location of individual degradation
  events. For each event, the degradation mechanism and degradation
  products are reported. The carrier is indicated as 0 for electrons,
  1 for holes, 2 for a singlet, 3 for a triplet

* *avlog.dat* and *avlog.out* record the voltage and current under AC
  operation

Binary storage:

* *profiles.dat* is a binary storage for the properties of the stack.
  This file contains:

  * The Bumblebee version number

  * The charge carrier current

  * The electron current

  * The hole current

  * The OFET carrier current

  * The OFET electron current

  * The OFET hole current

  * The cross-sectional exciton recombination event counts

  * The cross-sectional exciton generation event counts

  * The cross-sectional exciton dissociation event counts

  * The cross-sectional thermal exciton generation event counts

  * The cross-sectional polaron quenching event counts

  * The cross-sectional electron quenching event counts

  * The cross-sectional hole quenching event counts

  * The cross-sectional exciton annihilation event counts

  * The cross-sectional non-radiative exciton decay event counts

  * The cross-sectional photonic absorption event counts

  * The cross-sectional degradation event counts

  * The cross-sectional radiative exciplex decay event counts

  * The cross-sectional non-radiative exciplex decay event counts

  * The cross-sectional thermal exciplex generation event counts

  * The time-averaged cross-sectional electron counts

  * The time-averaged cross-sectional hole counts

  * The time-averaged cross-sectional singlet counts

  * The time-averaged cross-sectional triplet counts

  * The time-averaged cross-sectional electron counts per material

  * The time-averaged cross-sectional hole counts per material

  * The time-averaged cross-sectional singlet counts per material

  * The time-averaged cross-sectional triplet counts per material

  * The time-averaged electron counts at each gridpoint

  * The time-averaged hole counts at each gridpoint

  * The time-averaged singlet counts at each gridpoint

  * The time-averaged triplet counts at each gridpoint

* *rng.dat* records the final state of the random number generator.
  This file is used for continuation runs

* *stats.dat* records the event statistics. This file contains:

  * The Bumblebee version number

  * The number of elapsed Monte Carlo steps

  * The current simulation time

  * The last stepsize

  * The number of electron injections at the anode

  * The number of electron injections at the cathode

  * The number of hole injections at the anode

  * The number of hole injections at the cathode

  * The number of electron abstractions at the anode

  * The number of electron abstractions at the cathode

  * The number of hole abstractions at the anode

  * The number of hole abstractions at the cathode

  * The instantaneous device current

  * The instantaneous device current at the previous iteration

  * The number of exciton recombination events

  * The number of exciton recombination events at the previous
    iteration

  * The number of exciton generation events

  * The number of exciton generation events at the previous iteration

  * The number of photonic absorption events

  * The number of photonic absorption events at the previous iteration

  * The number of thermal exciton generation events

  * The number of exciton dissociation events

  * The number of polaron quenching events

  * The number of degradation events

  * The external field strength

  * The number of exciton annihilation events

  * The number of non-radiative exciton decay events

  * The number of intersystem crossings

  * The number of reverse intersystem crossings

  * The normalized minimum cross-sectional current

  * The normalized maximum cross-sectional current

  * The total number of exciton recombination events per gridpoint

  * The number of singlet recombination events per gridpoint

  * The number of triplet recombination events per gridpoint

  * The number of photonic absorption events per gridpoint

  * The number of singlet-generating absorption events per gridpoint

  * The number of triplet-generating absorption events per gridpoint

  * The total number of exciton generation events per gridpoint

  * The number of singlet generation events per gridpoint

  * The number of triplet generation events per gridpoint

  * The total number of thermal exciton generation events per
    gridpoint

  * The number of thermal singlet generation events per gridpoint

  * The number of thermal triplet generation events per gridpoint

  * The total number of exciton dissociation events per gridpoint

  * The number of singlet dissociation events per gridpoint

  * The number of triplet dissociation events per gridpoint

  * The total number of polaron quenching events per gridpoint

  * The number of singlet quenching events per gridpoint

  * The number of triplet quenching events per gridpoint

  * The total number of exciton annihilation events per gridpoint

  * The number of singlet annihilation events per gridpoint

  * The number of triplet annihilation events per gridpoint

  * The total number of non-radiative exciton decay events per
    gridpoint

  * The number of non-radiative singlet decay events per gridpoint

  * The number of non-radiative triplet decay events per gridpoint

  * The total number of (reverse) intersystem crossing events per
    gridpoint

  * The number of intersystem crossing events per gridpoint

  * The number of reverse intersystem crossing events per gridpoint

  * The number of degradation events per gridpoint

  * The number of radiative exciplex decay events per gridpoint

  * The number of non-radiative exciplex decay events per gridpoint

  * The number of thermal exciplex generation events per gridpoint

  * The device voltage

  * The final output timestamp

  * The timestamp of the last voltage update

  * The number of radiative exciplex decay events

  * The number of non-radiative exciplex decay events

  * The number of thermal exciplex generation events

Remaining files serve as utilities:

* *bumblebee.run* contains the job submission script for the workload
  manager

* *jobid.out* records the job ID number assigned by the workload
  manager

* *std.out* reports messages from the workload manager

* *std.err* reports errors from the workload manager

* *error.log* contains error messages from Bumblebee

* *status.log* records messages from the GUI

* *started.out* records the UNIX timestamp for the start of the
  simulation

* *finished.out* records the UNIX timestamp for the end of the
  simulation
