TDS2EL2
=======

Here we illustrate the new TDS2EL2 code on the two cases of the PRL paper : Calcite and MgO


* Calcite

  To reproduce the manipulations illustrated in the following videos download the data
   :download:`calcite.tgz <examples/calcite/calcite.tgz>`
  and the configuration file
   :download:`CALCITE <examples/calcite/CALCITE>`
  and the normalisation coefficients
   :download:`normalisation.txt <examples/calcite/normalisation.txt>`
	     
  in the same directory. Then untar the data. You will get a subdirectory data/
  with many files inside.
  Now you are ready to watch and reproduce the  video.
  Go into the directory where you have untarred *calcite.tgz*, the same where you have saved *CALCITE*  and run TDS2EL2 ::

    tds2el2_v1 CALCITE

  You can now follow the videos


  * Peak finding and alignement

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       <video  width="600" height="400"   controls>
       <source src="videos/peak_finding_and_first_alignement.webm" type="video/webm">
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       </video>
       
  * Fit of the elastic constants

    .. raw:: html
	   
       <video  width="600" height="400"   controls>
       <source src="videos/peak_fitels.webm" type="video/webm">
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       </video>
       
  * 3D reciprocal space reconstruction with interpolation

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       <video  width="600" height="400"   controls>
       <source src="videos/interp.webm" type="video/webm">
       Your Browser does not support the video tag.
       </video>

* MgO

  To reproduce the manipulations illustrated in the following videos download the data
   :download:`MgO_data.tgz <./examples/MgO/MgO_data.tgz>`
  and the input files
   :download:`mgo_inputs_tds2el2.tgz   <./examples/MgO/mgo_inputs_tds2el2.tgz>`
	     
  Download and untar them in some directory. Now you have a sub-directory *MgO/data* with data files for two temperatures,
  and a sub-directory *MgO/analysis/90/* with input files.
  In order to use Debye Waller factors estimation you need to add  in this directory  the phonons file 
  *phon_e888_co900_dos.phonon.md5_code=05e9b8e2d2e2ff82f3d30660528cb1d6* that you can extract from
   :download:`MgO_input.tgz   <./examples/MgO/MgO_input.tgz>`
	     
  Now go into *MgO/analysis/90/* and run TDS2EL2 ::

    tds2el2_v1 MGO_90_allineato

  You can now follow the videos
  
  * Fit of the elastic constants of MgO with two temperatures subtraction.

    .. raw:: html
	   
       <video  width="600" height="400"   controls>
       <source src="videos/mgofits.webm" type="video/webm">
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       </video>