[lammps-users] constructing meam potential

limitworld · November 10, 2009, 11:05am

hi,lammps users
I have found the meam parameters for germanium as below:

E_c r_e B A β⁽⁰⁾ β⁽¹⁾ β⁽²⁾ β⁽³⁾ t⁽¹⁾ t⁽²⁾ t⁽³⁾ C_max C_min d

3.85 2.45 0.77 0.66 3.95 2.00 0.00 7.50 2.90 5.77 −2.20 2.80 1.41 0.00

from one recent paper.

the lammps meam format is given below:
alpha b0 b1 b2 b3 alat esub asub
t0 t1 t2 t3 rozero ibar
How to determine these parameters ? I’m not quite clear about this .
Thanks in advance.

ChenJi
Material Science And Engineering Department
Xi’An Technological University
Xi’An,ShanXi Province,710032
P.R.C.

sjplimp · November 10, 2009, 2:58pm

If you’ve read the MEAM doc page and still don’t understand you’ll
need to contact the MEAM author, Greg Wagner (gjwagne at sandia,gov)

Steve