grw
***
Time of flight and mobility from the graph random walk: mean hitting times of the sink region from a sparse linear solve (no sampling), Chen, van der Hoorn, Baumeier, arXiv:2405.15836
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
   * - carriertype
     - electron
     - Carrier type
     - | electron
       | hole
       | singlet
       | triplet
   * - temperature
     - 300
     - Temperature
     - float+
   * - field
     - 0.0 0.0 0.0
     - | External electric field; for detailed balance (symmetric
       | solver) it must be along the transport normal
     - 
   * - tof.axis
     - a
     - | Box vector across which the periodicity is cut; transport
       | runs along the normal of the face spanned by the other
       | two box vectors, from fractional coordinate 0 (source
       | side) to 1 (sink side)
     - | a
       | b
       | c
   * - tof.source.thickness
     - 1.0
     - | Thickness of the source slab at the face with fractional
       | coordinate 0, measured along the normal (0: no slab criterion)
     - float+
   * - tof.source.pattern
     - 
     - | Segment type wildcard, e.g. 'Alq3*' (empty: no pattern
       | criterion)
     - 
   * - tof.sink.thickness
     - 1.0
     - | Thickness of the sink slab at the face with fractional
       | coordinate 1, measured along the normal (0: no slab criterion)
     - float+
   * - tof.sink.pattern
     - 
     - Segment type wildcard (empty: no pattern criterion)
     - 
   * - tof.ignoretypes
     - 
     - | Segment types (wildcards, separated by commas or spaces)
       | that take no part in transport: no hops to or from them
     - 
   * - numberofcarriers
     - 1
     - | Number of carriers with site exclusion; the state space
       | has n^N/N! states, so 1 or 2
     - | 1
       | 2
   * - observable
     - first
     - | Two carriers: first = time until the first carrier reaches
       | the sink (as in arXiv:2405.15836); transit = mean transit
       | time per carrier, carriers removed at the sink (ToF transient).
       | Identical for one carrier
     - | first
       | transit
   * - maxstates
     - 50000000
     - Two carriers: largest number of pair states (memory guard)
     - int+
   * - solver
     - auto
     - | Linear solver. auto: with detailed balance Cholesky (up
       | to directlimit unknowns) or conjugate gradients on the
       | symmetrized generator, otherwise LU or BiCGSTAB
     - | auto
       | cholesky
       | lu
       | cg
       | bicgstab
   * - directlimit
     - 5000
     - auto: largest number of unknowns for the direct solvers
     - int+
   * - tolerance
     - 1e-14
     - | Relative residual of the iterative solvers; must be tight
       | because trap modes dominate the hitting times
     - float+
   * - maxiterations
     - 100000
     - Iteration limit of the iterative solvers
     - int+
   * - sourcefile
     - grw_sources.dat
     - | Output: mean hitting time and its standard deviation per
       | source segment (empty: none)
     - 
   * - resultfile
     - grw_results.dat
     - Output: main results as 'key value unit' lines (empty: none)
     - 
   * - occupationfile
     - grw_occupation.dat
     - | Output: expected time spent on each segment (where the
       | time of flight is spent; empty: none)
     - 
.. note::
   An *xml* file containing the defaults for the `grw` calculator can be created via `-p grw -o FILENAME` command line options `