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      Thermal robustness of the quantum spin Hall phase in monolayer \({\mathrm{WTe}}_{2}\)

      Physical Review Materials
      American Physical Society (APS)

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          Generalized Gradient Approximation Made Simple

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            Hybrid functionals based on a screened Coulomb potential

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              Advanced capabilities for materials modelling with Quantum ESPRESSO

              Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.
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                Author and article information

                Contributors
                (View ORCID Profile)
                Journal
                PRMHAR
                Physical Review Materials
                Phys. Rev. Materials
                American Physical Society (APS)
                2475-9953
                February 2023
                February 8 2023
                : 7
                : 2
                Article
                10.1103/PhysRevMaterials.7.L021201
                4aef1515-3298-4022-9c74-45832f927a4b
                © 2023

                https://link.aps.org/licenses/aps-default-license

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