------------------------------
Author and contact information
------------------------------

David Vanderbilt
dhv@physics.rutgers.edu
August 2002

------------------------
Introductory information
------------------------

Generated in +1 ionic s2 configuration; semicore sp shells included.

This Sc potential was generated recently by Jorge Iniguez.

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

Mostly for Sc in oxides where it is in the 3+ formal oxidation
state.

---------------------------------------
Summary of atomic transferability tests
---------------------------------------

There is a test for the s2d1 configuration in the distribution:

   nlm    all-elec      pseudo        diff

   300   -4.020770   -4.020575   -0.000195
   310   -2.466707   -2.466214   -0.000493
   400   -0.315910   -0.315860   -0.000050
   320   -0.251742   -0.252060    0.000318

-----------------
Solid-state tests
-----------------

Nothing to report.

-------------
Miscellaneous
-------------

Nothing to report.
