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Last Update:2021/03/05
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License
| Availability | Pre-built executable files for Windows, MacOS, Linux are available |
|---|---|
| Related keywords |
CRYSTAL
A first-principles simulation program based on the pseudopotential method utilizing Gaussian basis sets. It can perform simulations based on Hartree-Fock and density functional theories. It can be run under Unix/Linux, and also provides a simple GUI for Windows. Binaries are distributed for a fee, but users can first try the evaluation copy.