TDS2EL2ΒΆ
Here we illustrate the new TDS2EL2 code on the two cases of the PRL paper : Calcite and MgO The goniometer, neam and detector description is now given in CONFIG.yaml file. For generic goniometers you can adapt the goniometer, detector, and beam description following the explanations in this link Generic Goniometer . Mind that now the orientation of the detector, if different from default one, must be given through reediting of the CONFIG.yaml file.
Calcite
- To reproduce the manipulations illustrated in the following videos download the data
- and the configuration file
- and the normalisation coefficients
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
- and the input files
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.