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      Unified first-principles theory of thermal properties of insulators

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      Physical Review B
      American Physical Society (APS)

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          QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.

          QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to researchers around the world under the terms of the GNU General Public License. QUANTUM ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively parallel architectures, and a great effort being devoted to user friendliness. QUANTUM ESPRESSO is evolving towards a distribution of independent and interoperable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.
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            Phonons and related crystal properties from density-functional perturbation theory

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              Model for Lattice Thermal Conductivity at Low Temperatures

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                Author and article information

                Journal
                PRBMDO
                Physical Review B
                Phys. Rev. B
                American Physical Society (APS)
                2469-9950
                2469-9969
                August 2018
                August 13 2018
                : 98
                : 8
                Article
                10.1103/PhysRevB.98.085205
                59819636-7ffc-4bab-8aaa-0dbecab2cea2
                © 2018

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

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

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