eOn units
Posted: Tue Feb 16, 2021 10:20 am
Dear Forum,
In the output file dynamics.txt we get the output of some simulation related quantities. For a system containing a perfect BCC Fe crystal and a single interstitial C atom, I get the following results (I am using a potential from lammps for the interactions)
The energy/barrier units seem to be eV. What are the units of time and rate? Is this in the documentation (I was not able to find it)?
Thanks
Sebastián
In the output file dynamics.txt we get the output of some simulation related quantities. For a system containing a perfect BCC Fe crystal and a single interstitial C atom, I get the following results (I am using a potential from lammps for the interactions)
Code: Select all
step-number reactant-id process-id product-id step-time total-time barrier rate energy
0 0 0 643 8.381686e-06 8.381686e-06 0.816150 5.332670e+03 -1013.301323
1 643 0 613 9.490784e-05 1.032895e-04 0.816150 5.334370e+03 -1013.301320
Thanks
Sebastián