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# Temperature dependence of the electronic structure of semiconductors and insulators #
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# S. Poncé, Y. Gillet, J. Laflamme Janssen, A. Marini, M. Verstraete, and X. Gonze

The data provided is as follow:


1) a-AlN - alpha AlN data including data for various q-point grid density, extrapolated value and the change of bandstructure with temperature for 2052 q-points IBZ integration. The pdf images are also provided. The script used the post-process, plot and extrapolate the data are also provided.

2) b-AlN-renorm - beta AlN data including data for various IBZ homogeneous grids density. Inside each folder the python script to obtain the ZPR and its decomposition is also provided. The BS folder gives the electronic bandstructure. The idelta folder gives the convergence to zero idelta parameter and idelta_extrapolation2.py the script to perform the extrapolation.

3) BN-renorm - Data for BN. Same as above for BN

4) C-renorm - Data for diamond. When the script name is "_dir_" it means direct bandgap ZPR and when it is "_ind_" it means indirect bandgap.

5) Si-renorm - Data for silicon. Same as above.

6) Scripts - Python scripts used to compute the temperature dependence for netcdf files produced by Abinit.
See the Abinit tutorial https://docs.abinit.org/tutorial/tdepes/ for more info.