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DFT calculations with Quantum ESPRESSO

By Janam Jhaveri1, Ravi Pramod Kumar Vedula1, Alejandro Strachan1, Benjamin P Haley1

1. Purdue University

DFT calculations of molecules and solids

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Version 2.9 - published on 24 Jun 2015

doi:10.4231/D3599Z291 cite this

This tool is closed source.

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Recent Questions (5)
813 How to include pseudo potentials in dftqe? How to make usage of parallel nodes?
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1357 Why are there only three components in the stress tensor?
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1554 Is it possible to calculate phonon dispersion here?
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1214 Is there any way to have a full QE input parameters with this tool ?
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855 How to include spin-polarized calculation in dftqe with this tool?
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