dwillhelm / MSEN_670

Resource for MSEN 670 class Computational Material Science

MSEN_670

Resource repo for MSEN 670: Computational Material Science

Professor: Dr. T.Cagin
TA : D. Willhelm

This repo constains a few example python scripts:

• Use Pymatgen to create and edit crystal structures
• Use Pymatgen to query the Materials Project Database
• Use Pymatgen to setup a VASP calculation