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About the Quantum ESPRESSO input generator and structure visualizer. This tool takes as input a crystal structure given in a variety of formats (native PWscf, XYZ, XCrysDen, CIF, VASP, Castep, and PDB), and prepares an input file for the PWscf code of Quantum ESPRESSO, using reliable standard parameters that can be used to perform a ...
9 lis 2022 · Materials Cloud is built to enable the seamless sharing and dissemination of resources in computational materials science, encompassing educational material, interactive tools, simulation services, and curated and raw data.
Explore a comprehensive tutorial on Quantum ESPRESSO and MaX, focusing on materials design at the exascale level. Delve into advanced concepts of Hubbard and Koopmans functionals from linear response, as presented by Andrea Ferretti.
Materials Cloud is built to enable the seamless sharing and dissemination of resources in computational materials science, encompassing educational material, interactive tools, simulation services, and curated and raw data.
Computational tools offered as a service: no download, no installation, but click-and-run. Quantum ESPRESSO input generator and structure visualizer Authors: Kristjan Eimre, Jusong Yu, Gabriel M. Nascimento, Elsa Passaro, Sebastiaan P. Huber, Giovanni Pizzi, Nicola Marzari
Stable and development releases of the QUANTUM ESPRESSO source package (current version is 7.3.1), as well as available binary packages, can be downloaded from the links listed in the ``Download'' section of www.quantum-espresso.org.
QUANTUM ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
