TDS2EL2ΒΆ

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

    calcite.tgz

    and the configuration file

    CALCITE

    and the normalisation coefficients

    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

    • Fit of the elastic constants

    • 3D reciprocal space reconstruction with interpolation

  • MgO

    To reproduce the manipulations illustrated in the following videos download the data

    MgO_data.tgz

    and the input files

    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

    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.