------------------------------ Author and contact information ------------------------------ David Vanderbilt dhv@physics.rutgers.edu August 2002 ------------------------ Introductory information ------------------------ Generated in neutral s2p3 configuration; semicore d shell included. This Bi potential was generated recently by Jorge Iniguez. -------------------- Intended environment -------------------- Mostly for Bi in oxides where it is in the 3+ formal oxidation state. --------------------------------------- Summary of atomic transferability tests --------------------------------------- There is a test for the s2p2 configuration in the distribution: nlm all-elec pseudo diff 520 -2.597177 -2.597534 0.000357 600 -1.650275 -1.650118 -0.000156 610 -0.861308 -0.861225 -0.000083 ----------------- Solid-state tests ----------------- Nothing to report. ------------- Miscellaneous ------------- Nothing to report.