Code is currently under development. Now it working fine for few materials (e.g EuO).
git clone --recursive https://github.com/Volkov-da/curie_calculator.git
./install.sh
if needed:
chmod +x install.sh
chmod +x src/curie_calculator.py
Export path to enumlib and curie_calculator executables (you might need to specify absolute path):
Add this to your .bashrc or .zshrc file.
export PATH="home/username/curie_calculator/enumlib/src:$PATH"
export PATH="/home/username/curie_calculator/src:$PATH"
To run any example, you simply need a POSCAR file in the folder. Also, it is important to have automated access to pseudopotential (POTCAR) files used in VASP (i.e., POT_GGA_PAW_PBE or POT_LDA_PAW folders). For these purposes please check how to use .pmgrc.yaml file.
cd examples/EuO_test
curie_calculator.py