================================= README.TXT =================================

All Authors: P. Tiwary, N. Gr{\o}nbech-Jensen, A. van de Walle

Title: Ab initio construction of interatomic potentials for uranium dioxide across all
interatomic distances

Description: 
Potentials for UO2 from the following paper:
Tiwary,van de Walle and Gronbech-Jensen,Phys. Rev. B 80, 1 (2009)


Total No. of Files: 2

Filenames: 
gulp_uo2.lib, README.TXT

Filetypes: Formated for the General Utility Lattice Package (GULP) by Julian Gale
http://www.ivec.org/gulp/


Special Instructions: 


Contact information:

Dr. Axel van de Walle
Engineering and Applied Science Division,
California Institute of Technology,
1200 E. California Blvd.
MC 309-81
Pasadena, CA 91125
USA
Phone: 1+626-395-3721          FAX:           
Email: avdw@alum.mit.edu

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