Integrated Computational Materials Engineering (ICME)

Fe-V.meam

This is one of the potential files. This defines parameters relevant to interactions between Aluminum and Magnesium atoms. Copy and paste the text in to a file named FeV.meam.

 lattce(1,2) = 'bcc'
 Ec(1,2) = 5.0
 alpha(1,2) = 6.0
 re(1,2) = 2.5
 rc = 4.5
 delr = 0.1
 delta(1,2) = 0.1
 gsmooth_factor = 99.0
 Cmax(1,2,1) = 4.0
 Cmax(1,2,2) = 4.0
 Cmax(2,2,1) = 4.0
 Cmax(1,1,2) = 4.0
 Cmin(1,2,1) = 2.0
 Cmin(1,2,2) = 2.5
 Cmin(2,2,1) = 2.5
 Cmin(1,1,2) = 2.0