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Manuscript Title: CellMatch: combining two unit cells into a common supercell with minimal strain
Authors: Predrag Lazić
Program title: CellMatch
Catalogue identifier: AEYD_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 197(2015)324
Programming language: Python.
Computer: Any architecture with a python interpreter.
Operating system: Linux, AIX.
RAM: Even for large systems almost negligible usage of memory.
Keywords: Electronic structure, Density functional theory, Van der Waals materials, commensurate structures, moiré patterns, epitaxial growth.
PACS: 71.15.-m, 71.15.Mb, 71.45.Gm.
Classification: 7.3.

Nature of problem:
Contracting a common supercell that fits the atoms of two unit cells with minimal strain. This is used as input for any total energy or electronic structure code.

Solution method:
Straightforward systematic search in the phase space of combinations of unit cell vectors.

Unusual features:
Output, atomic structure of the supercell, can be used in any total energy program.

Running time:
Usually very short (seconds) if the search parameters are kept at reasonable values.