Quantum ESPRESSO free download software for electronic-structure calculations and materials modeling in quantum and computational chemistry. quantum espresso source code has evolved into a distribution of independent and inter-operable codes in the spirit of an open-source project. The Quantum ESPRESSO distribution consists of a “historical” core set of components, and a set of plug-ins that perform more advanced tasks, plus a number of third-party packages designed to be inter-operable with the core components. 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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xcrysden quantum espresso
XCrySDen download software free chemistry software in the field of drawing, observing and simulating various crystal and molecular structures. XCrySDen software has the ability to draw a variety of isosurfaces and contours of crystal structures. Crystal structures in PDB, XYZ and XSF formats can be imported in this software. The chemical structures of computing software, such as GAUSSIAN, CRYSTAL, PWscf, WIEN2k, FHI98MD QuantumEspresso can also be included in this software. This software has the ability to display the crystal lattice, display the Wigner-Seitz cell, select the k-path, calculate the strip structure, display the Brillouin area, and so on.
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