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rajeshprasanth/README.md

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  1. espresso-automation-scripts espresso-automation-scripts Public

    Scripts for Quantum Espresso Automation

    Jupyter Notebook 8 3

  2. effmass effmass Public

    1

  3. kpath kpath Public

    Python script for generating points of high symmetry in band structure calculation. Currently this code supports Quantum Espresso

    Gnuplot 3 1

  4. AFLOW_QE_WORKFLOW AFLOW_QE_WORKFLOW Public

    Shell

  5. docker-ubuntu-qe docker-ubuntu-qe Public

    DockerFile for Quantum Espresso running in ubuntu

    Dockerfile

  6. jobsubmit jobsubmit Public

    jobsubmit is a python script designed for reading the list of command from a file and execute in particular order.

    Python