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What's New

The latest news about CrystalExplorer


CrystalExplorer has a new major version release: CrystalExplorer21

The biggest feature of this release is built-in support for using NWChem as a quantum chemistry backend.

Other highlights include:

  • Viewing down arbitrary crystal directions, rather than just the crystallographic a, b and c axis
  • Configuration of number of decimal places in the interaction energies window