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Perovskites_visualization

This is part of a project on studying structure electronic properties of a specific perovskite surface. This repo is only for visualizing DOS and band structure of bulk structures. For more details see our publication (upcoming) All the *.dat files are named for readability. Example: cubicBAND.dat contains cubic perovskite bandstructure. You will need the following packages: 1)Numpy 2)Matplotlib

There are two python scripts. plotBAND.py plots the bandstructure for cubic/orthorhombic unit cell. Modify as needed. plotDOS.py plots the partial density of states for the perovskite bulk&surface. Modify as needed.

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This is part of a project on studying structure electronic properties of a specific perovskite surface. This repo is only for visualizing DOS and band structure of bulk structures. For more details see our publication (upcoming)

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