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Home Tools DFT calculations with Quantum ESPRESSO Wishlist

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

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