Software with Support for FHI-aims
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GIMS: Graphical interface for materials simulations |
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A universal force engine interface written in Python |
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FHI-vibes: A python package for the vibrational properties of solids from first principles |
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Atomic Simulation Environment |
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Pymatgen (Python Materials Genomics) |
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Cc4s: Coupled Cluster for Solids |
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Object-oriented Python library to analyze trajectories from molecular dynamics simulations |
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Core level spectroscopy simulation methods in FHI-aims |
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GAtor: A genetic algorithm for structure prediction of molecular crystals |
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BOSS: Active learning technique for global exploration of energy and property phase space, and for accelerated structure determination |
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effmass: Python package for calculating various definitions of effective mass from the electronic bandstructure of a semiconducting material. |
External Libraries in FHI-aims
FHI-aims is using and relying on a number of open-source libraries, to whom we are immensely grateful. The full list is shown below.
| 3Drotations | Caliper |
| M_strings | PLUMED |
| AITRANSS | atom_sphere |
| autoGR | cuba-cuhre |
| density_functional_repository | elsi_interface |
| greenX | i-PI |
| kdtree2 | libMBD |
| Libxc | mctc-lib |
| mstore | rdirac |
| s-dftd3 | Spglib |
| test-drive | toml-f |
| TREXIO | Voro++ |
| ELPA | CHASE |
| PEXSI | NTPoly |
| EigenEXA | libOMM |
| SLEPc | BSEPACK |
| MAGMA |