eOn units

[sebastianecheverrir]

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)

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

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

[graeme]

Hi Sebastián,
The units of time are seconds and the rates are in 1/s.
Graeme