apdft
*****
Write Electrostatic potentials at core positions
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
   * - job_name
     - system
     - | Input file name without extension, also used for intermediate
       | files
     - 
   * - grid
     - medium
     - grid quality
     - | xcoarse
       | coarse
       | medium
       | fine
       | xfine
   * - state
     - n
     - QM state to generate potential
     - 
   * - input
     - OPTIONAL
     - orbfile to read from, otherwise use job_name
     - 
   * - output
     - OPTIONAL
     - | File to write atoms atomids and potentials at those positions
       | from
     - 
.. note::
   An *xml* file containing the defaults for the `apdft` calculator can be created via `-p apdft -o FILENAME` command line options `