Hello everyone,
I want to calculate the total energy per-atom for SW Si but I get the error
ERROR: Pair style does not support computing per-atom energy
Is there a way to calculate the total energy per atom?
thanks
Jaime Sanchez
Hello everyone,
I want to calculate the total energy per-atom for SW Si but I get the error
ERROR: Pair style does not support computing per-atom energy
Is there a way to calculate the total energy per atom?
thanks
Jaime Sanchez