tunsheng / qes

Quantum Espresso Scripts

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Quantum Espresso Scripts

qes contains

  1. Sample scripts to generate input for copper and H2 .
  2. Installation script for UW Hyak cluster.
  3. Analysis scripts.

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Quantum Espresso Scripts


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Language:Shell 84.3%Language:Python 15.0%Language:Gnuplot 0.8%