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Tools to ease working with QuantumEspresso files in heterogeneous catalisys

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This is a repository of tools to work with QuantumEspreso files GitHub: https://github.com/sebagodoy/QE_ToolSet The repository is maintained by Sebastian Godoy, tested with Python 3.8.10 in a Ubuntu 20.04 setup.

To use in a Ubuntu setup just fork, copy or dowload in your machine. Add to your path for easy use from the terminal adding

KIE export PATH=$PATH: here goes the absolute path where you downloaded your tools

to the ~/.bashrc file. Be sure to give the scripts persmission to run with chmod +x File.py.

HAve a nice day c:

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Tools to ease working with QuantumEspresso files in heterogeneous catalisys

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