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ABINIT is a software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials. Starting from the quantum equations of density functional theory, you can build up to advanced applications with perturbation theories based on DFT, and many-body Green's functions (GW and DMFT).

Availability and Supported Architectures at NERSC

Abinit is allowed at NERSC and runs on CPUs. Experimental GPU support is available.

Application Information, Documentation, and Support

Using Abinit at NERSC

See the example jobs page for additional examples and information about jobs.

Building Abinit from Source

Users are welcome to build their own binaries from source.

User Contributed Information

Please help us improve this page

Users are invited to contribute helpful information and corrections through our GitLab repository.