eOn units

eOn code for long time scale dynamics

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sebastianecheverrir
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Joined: Fri Jan 22, 2021 3:15 pm

eOn units

Post by 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)

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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
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Joined: Tue Apr 26, 2005 4:25 am
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Re: eOn units

Post by graeme »

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