- Go to home (cd ~)
- pip install pymatgen
- copy slabs.py on to the location where you want to get surfaces.
- Use the following command:
(you can search "#usage" to search for command line in the code)
python3 slabs.py input=CONTCAR miller=100 symmetry=False thickness=10 vacuum=15 output=0
Nikhil-Komalla/slabify
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