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Tags: DFT

Resources (1-17 of 17)

  1. Berkeley GW

    27 Sep 2009 | Tools | Contributor(s): Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton

    This is an educational tool that illustrates the calculation of the electronic structure of materials using many-body perturbation theory within the GW approximation

    http://nanohub.org/resources/berkeleygw

  2. DFT calculations with Quantum ESPRESSO

    07 Jul 2010 | Tools | Contributor(s): Janam Jhaveri, Ravi Pramod Kumar Vedula, Alejandro Strachan, Benjamin P Haley

    DFT calculations of molecules and solids

    http://nanohub.org/resources/dftqe

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