Index of /~dhv/uspp/uspp-cur/Work/011-Na/011-Na-ca-sp-vgrp
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Makefile 08-Aug-2002 20:39 2k
na_ae_s1.adat 08-Aug-2002 20:39 1k
na_ps.adat 08-Aug-2002 20:39 1k
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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 s1 configuration; semicore sp shells included.
Similar to a Na potential generated in the early 1990's by some member
of my group, probably D. King-Smith.
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Intended environment
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Mostly for Na in oxides where it is in the 1+ formal oxidation
state.
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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.