STM plugin

Description

A plugin for Util/plstm

Supported Siesta versions

At least 4.0.1 of the 4.0 series, and 4.1-b3 of the 4.1 series, which can be found in the development platform (http://launchpad.net/siesta/).

Inputs

  • parameters, class ParameterData

A dictionary with a few parameters to specify the mode of calculation and the height or isovalue at which to process the LDOS:

{
  "z": "5.8"     # In Ang
}

(The mode of calculation is hard-wired to constant-height for now)

  • parent_folder, class RemoteData

The parent folder of a previous Siesta calculation in which the LDOS file was generated.

Outputs

  • stm_array ArrayData

A collection of three 2D arrays (X, Y, Z) holding the section or topography information. They follow the meshgrid convention in Numpy. A contour plot can be generated with the get_stm_image.py script in the repository of examples.

  • output_parameters ParameterData (accessed by calculation.res)

At this point only parser information is returned.

Errors

Errors during the parsing stage are reported in the log of the calculation (accessible with the verdi calculation logshow command).