[EXTERNAL] elastic constant problem

To switch to the EAM potential, you will need to modify two of the include files.

“init.mod" contains the commands that setup the crystal. You will need to replace these lines with
the appropriate commands for an FCC crystal:

generate the box and atom positions using a diamond lattice

variable a equal 5.43
boundary p p p
lattice diamond $a
region box prism 0 2.0 0 3.0 0 4.0 0.0 0.0 0.0

“potential.mod" contains the commands that define the potential. You will need to replace the lines below with the appropriate command for the EAM potential

Choose potential

pair_style sw
pair_coeff * * Si.sw Si

Aidan