Index of /~dhv/uspp/uspp-cur/Work/019-K/019-K-ca-sp-vgrp

      Name                    Last modified       Size  Description


[DIR] Parent Directory        10-Jul-2002 16:51      -  
[TXT] Makefile                10-Jul-2002 16:51     2k  
[TXT] k_ae_s1.adat            10-Jul-2002 16:51     1k  
[TXT] k_ps.adat               10-Jul-2002 16:51     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.

This K 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 for studies of KNbO3.

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Intended environment
--------------------

Mostly for K 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
-----------------

Nothing to report.

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Miscellaneous
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Nothing to report.