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Quantum Espresso

Quantum Espresso was developed according to the Manifesto:

Quantum Espresso is an open source DFT code of interest, for example, for molecular dynamics and phonon calculations.

Quantum Espresso documentation

Some useful documentation:

Quantum Espresso basics

Will be updated with more information later on.

  • Most recent version is Quantum Espresso 5.0.3
  • For setting up at NSC, see link above
  • For questions on running/using Quantum Espresso, contact Weine Olovsson (NSC/IFM) or directly to NSC support
mml/pwscf.txt · Last modified: 2013-05-01 21:37 by weolo