lammps/examples/USER/eff

NOTE: most of these examples are provided to demonstrate the
functionality of pEFF, i.e. as illustrative examples, and should not
be used w/out including the proper equilibration procedures, or data
files with unit cell sizes appropriate for minimum image calculations.
Also, most of the electron masses are set to 1, instead of the true
electron mass in amu.  If the electron mass is set to the true value,
the recommended integration time step should be 0.0001 (i.e. need to
change it with the "timestep 0.0001" command)

For more details, please contact the author at
Andres Jaramillo-Botero, ajaramil@wag.caltech.edu