PWscf (Plane-Wave Self-Consistent Field) package, a core component of the Quantum ESPRESSO distribution. PWscf performs many different kinds of self-consistent calculations of electronic-structure properties within Density-Functional Theory (DFT), using a Plane-Wave (PW) basis set and pseudo potentials (PP).
References in zbMATH (referenced in 1 article )
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- Avery, Patrick; Falls, Zackary; Zurek, Eva: \textscXtalOptversion r10: an open-source evolutionary algorithm for crystal structure prediction (2017)