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Author and contact information
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David Vanderbilt
dhv@physics.rutgers.edu
July 2002

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Introductory information
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Generated in neutral s2 configuration; semicore sp shells included.

This Ba potential was generated in the early 1990's by some member
of my group, probably D. King-Smith.  I believe it has been used
successfully in studies of BaTiO3 and other perovskites.

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Intended environment
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Mostly for Ba in oxides where it is in the 2+ formal oxidation
state.  It should probably be OK for metallic Ba too, but I don't
think we ever tried it for that.

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Summary of atomic transferability tests
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Nothing to report.

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Solid-state tests
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Nothing to report.

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Miscellaneous
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Nothing to report.