Analysis and visualization
Download the data
It is assumed here that you analyze and visualize CrySPY data in your local PC.
If you use CrySPY in super computers or workstations, download the data in your local PC.
You can delete the
backup directory if you do not need it because the file size could be very large.
Move to the
data/ directory in results you just download.
cryspy_analyzer_RS.ipynb from CrySPY utility.
calc_in/ cryspy.in cryspy.stat data/ err_cryspy log_cryspy
$ cd data
cryspy_rslt cryspy_rslt_energy_asc init_POSCARS opt_CIFS.cif opt_POSCARS pkl_data/
cp /path/to/CrySPY_utility/cryspy_analyzer_RS.ipynb .
Run jupyter. (VScode, jupyter lab, jupyter notebook, and so on.) You can get the following figure by simply running the steps in order.