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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 Wishes (4)
773 raman simulation
Proposed by Rodrigo Castillo @ 0
50 points 0 Like 0 Dislike
738 Adding GW corrections using GWL package of Quantum Espresso
Proposed by Sayan Roy @ 0
50 points 0 Like 0 Dislike
511 Paste input file from client , or load Quantum espresso from a pwscf input just like PWGUI.
Proposed by Alice Cooper @ 0
10 points 0 Dislike
351 Update with latest available version 4.3 or atleast with 4.2.1
Proposed by penchalaiah.palla @ 0
10 points 0 Dislike, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.