------------------------------ Author and contact information ------------------------------ David Vanderbilt dhv@physics.rutgers.edu July 2002 ------------------------ Introductory information ------------------------ Generated in neutral s2p4 configuration. This oxygen 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 a number of studies of perovskite ferroelectrics and other oxides. Thanks to Davide Ceresoli for help with installing this potential in the library. -------------------- Intended environment -------------------- Probably OK for most oxides in normal conditions. --------------------------------------- Summary of atomic transferability tests --------------------------------------- There is a test for the s1p5 configuration in the distribution: nlm all-elec pseudo diff 200 -1.775786 -1.774979 -0.000807 210 -0.705671 -0.705510 -0.000161 ----------------- Solid-state tests ----------------- Nothing to report. ------------- Miscellaneous ------------- Nothing to report.