A public available version of furturemat code that contains core functionalities developed in our lab.
```bash
git clone https://github.com/yangjackie/futuremat_public.git
cd ~/<YOUR PROJECT DIRECTORY>/futuremat_public
python3 setup.py build_ext --inplace
```
```bash
export PYTHONPATH="<work_dir>/futuremat_public"
echo $PYTHONPATH # double check the PATH
```
conda install --channel conda-forge pymatgen
For pymatgen
pmg config -p <UR/VASP/POTCAR> <Your dir for POTCAR>
For futuremat_public
Edit in settings.py
vasp_pp_directory="<UR/VASP/POTCAR>"
MPRest_key="" #get from materials project
functional="<optional>" # such as 'pbe' et al. currently only support 'pbe'