Index of /~dhv/uspp/uspp-cur/Work/031-Ga/031-Ga-ca--vgrp

      Name                    Last modified       Size  Description


[DIR] Parent Directory        29-Dec-2002 13:13      -  
[TXT] Makefile                10-Jul-2002 16:52     2k  
[TXT] ga_ae_s2p1.adat         10-Jul-2002 16:52     1k  
[TXT] ga_ps.adat              10-Jul-2002 16:52     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 s2p1 configuration.

This Ga potential was generated in the early 1990's by some member
of my group, probably D. King-Smith.  I'm not sure what the intended
application was, but it may have been for studies of polarization in
GaAs.

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Intended environment
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Mostly for Sr in oxides where it is in the 2+ formal oxidation
state.  It should probably be OK for metallic Sr 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
-----------------

Nothing to report.

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Miscellaneous
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Nothing to report.