BAND
The atomic-orbital periodic DFT engine in AMS supports bulk, surfaces and wires, with all-electron and relativistic treatments and chemical analysis.
Where it fits
Low-dimensional materials, surfaces and periodic bonding analysis within AMS.
Limits and practical considerations
Basis completeness and periodic sampling require testing; BAND and AMS-packaged Quantum ESPRESSO use different representations.
Licensing and access
Commercial SCM engine; verify BAND coverage in the AMS licence.
Official documentation and project
Official documentation and sources
- www.scm.com/amsterdam-modeling-suite/periodic-dft-band-quantum-espresso
- www.scm.com/pricing-and-licensing/scm-license-terms
- qchem.pw/commercial/adf.html
- www.scm.com/doc/BAND/index.html