quantum-espresso-scripts

There are 3 repositories under quantum-espresso-scripts topic.

rajeshprasanth/espresso-automation-scripts
Scripts for Quantum Espresso Automation
Language:Jupyter Notebook8 3 03
sevyharris/adlib
Using Quantum Espresso and ase to compute the binding energy of adsorbates on metals
Language:Python2 1 131
mandal13/Band-pDOS-QE
Scripts and inputs for calculating the band structure and pDOS in Quantum Espresso, and plotting the results together.
Language:Gnuplot1 1 00