UVA Research Computing

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  • Abinit on Rivanna

    Description ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis. Software Category: chem For detailed information, visit the Abinit website. Available Versions The current installation of Abinit incorporates the most popular packages. To find the available versions and learn how to load them, run: module spider abinit The output of the command shows the available Abinit module versions. For detailed information about a particular Abinit module, including how to load the module, run the module spider command with the module’s full version label.