I am new with lammps. I am traing to simulate the fusion of an oxide metal. I want to use the following potential:
u (r) = A (r) + B (r)
A * exp ((sigma - r) / rho) - C / r ^ 6 - D / r ^ 8
B (r) = C 'qiqj / (epsilon * r)
I try to include both kinds of potentials (born/coul/long + coul/cut) in the pot.mod file but it does not work. How can I proceed?
pair_style born/coul/long 8
pair_coeff 1 1 0.18 0.16000 0.4400 10.0 20.0
pair_style coul/cut 8
pair_coeff * *
if you issue a pair_style command multiple times, then then second will replace the former.
if you want to use multiple pair styles at the same time, you need to use either pair style hybrid (which allows different styles for pairs of atom types)
or hybrid/overlay to sum contributions from multiple pair styles.
but this is not required here. just using born/coul/long should suffice as it includes both the A® and B® parts of your potential.
Thanks very much
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