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Topic Title: PWscf
Topic Summary: S. Baroni et al., SISSA & DEMOCRITOS. DFT and Density-Functional Perturbation Theory (GNU GPL)
Created On: 2/7/2007 6:02 PM

 2/7/2007 6:02 PM


Cathy Rohrer

Posts: 584
Joined: 2/6/2007

PWscf (Plane-Wave Self-Consistent Field) is a set of programs for electronic structure calculations within Density-Functional Theory and Density-Functional Perturbation Theory, using a Plane-Wave basis set and pseudopotentials. PWscf is part of the Quantum ESPRESSO distribution of codes for the quantum simulation of matter at the atomic scale. PWscf is released under the GNU General Public License.

Citation: Baroni, S., de Gironcoli, S., Dal Corso, A., and Giannozi, P. "Plane-Wave Self-Consistent Field." SISSA and DEMOCRITOS National Simulation Center. February 8, 2008.

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