.. include:: preamble.txt

:Authors:
    John Kendrick, Andrew Burnett  

:EMail:
    john@kendrick.me.uk, a.d.burnett@leeds.ac.uk  

.. meta::
   :description: PDielec package for the calculation of infrared and terahertz absorption from QM calculations
   :keywords: Quantum Mechanics, Effective Field Theory, Maxwell, Garnett, Mie, Infrared, Terahertz, Castep, Abinit, VASP, GULP. QE

========
Contents
========

This is the documentation for the PDielec package.  The package takes output from DFT calculations and calculates a material's infrared and terahertz response.  
For single crystals (thin films or slabs), a generalized transfer matrix or a scattering matrix method is used.  For powdered material in a support matrix, an effective medium theory is used which can take into accounnt the effect of shape and particle size.

.. toctree::
   :maxdepth: 2
   :numbered:

   introduction
   installation
   pdgui
   software
   theory_powder
   theory_single_crystal
   analysis
   application_notes_1
   application_notes_2
   zreferences


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