POCO is a potential generating package with force-matching method. POCO allows users to fit the potential to both ab-initio force data and experimental data. Fitting to Universal Equation of State energy and pressure constraints is also implemented. This code performs a global multi-dimensional optimization. The resulted potential functions are expressed by cubic splines.  

The paper that describes the force-matching method and an EAM Al potential developed by this method can be found at

F. Ercolessi and J. B. Adams 

INTERATOMIC POTENTIALS FROM 1ST-PRINCIPLES CALCULATIONS - THE FORCE-MATCHING METHOD    

EUROPHYS LETT 26 (8): 583-588 JUN 10 1994 

There is a README file in the package that describes how to set up input file.

To get the POCO package in .tar format please click here.

A new version of  readme file has been updated for easy use of the package.

For questions regarding setting up input file and force data files. Please contact us at:

yhl@bilbo.eas.asu.edu

Other papers related to potentials developed with force-matching method are:

    Mg

    X. Y. Liu, J. B. Adams, F. Ercolessi, J. A. Moriarty                                                     

    EAM potential for magnesium from quantum mechanical forces

    MODEL SIMUL MATER SC 4 (3): 293-303 MAY 1996

    Al-Mg 

    X. Y.  Liu, P. P. Ohotnicky, J. B.Adams, C. L. Rohrer, R. W. Hyland                                

     Anisotropic surface segregation in Al-Mg alloys

    SURF SCI 373 (2-3): 357-370 MAR 1 1997

    X. Y. Liu and J. B. Adams                                                                                                      

     Grain-boundary segregation in Al-10%Mg alloys at hot working temperatures

     ACTA MATER 46 (10): 3467-3476 JUN 12 1998

    Al-Cu

    X.Y.Liu, W.  Xu, S. M. Foiles, J. B. Adams                                                                       

     Atomistic studies of segregation and diffusion in Al-Cu grain boundaries

    APPL PHYS LETT 72 (13): 1578-1580 MAR 30 1998

    Al-Pb

    A. Landa,  P. Wynblatt, D. J. Siegel, J. B. Adams, O. N. Mryasov, X. Y.Liu

     Development of glue-type potentials for the Ai-Pb system: Phase diagram calculation

     ACTA MATER 48 (8): 1753-1761 MAY 11 2000

    Si

    T. J. Lenosky, B. Sadigh, E. Alonso V. V. Bulatov, T. D. de la Rubia, J. Kim, A. F. Voter, J. D.  Kress
    Highly optimized empirical potential model of silicon
    MODEL SIMUL MATER SC 8 (6): 825-841 NOV 2000