FHI-aims
All-electron electronic structure theory with numeric atom-centered orbitals.
Molecular dynamics engine · by Molecular Simulations from First Principles e.V. · fhi-aims.org
Open FHI-aims in AirStackWhat FHI-aims’s own pages say
| What it says it does | All-electron electronic structure theory with numeric atom-centered orbitals. fhi-aims.org |
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