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Last Update:2024/06/24
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License
GPL v3
Availability | Need to compile on UNIX/Linux. MPI environment is required. |
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Inquiry / Application RequestAn open-source application for first-principles calculation utilizing pseudo-potentials and atom-localized basis sets. This application is capable of performing electronic structure calculations, structural relaxation, and molecular dynamics in a wide range of systems based on density functional theory. By adopting atom-localized basis sets, it realizes high-speed electronic calculation and linear-scaling in suitable computer systems. It can also perform electronic conductance calculations based on non-equilibrium Green’s function method.
GPL v3
Availability | Need to compile on UNIX/Linux. MPI environment is required. |
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Related keywords |