"Atomic" Units?
- jdmoore
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7 years 9 months ago #178
by jdmoore
Hello,
What exactly is the atomic unit of energy in the output file for the initial energy out?
Is it Hartree, eV, etc? It appears it is just a factor of 100? So for example the total energy output in the *prp appears to be the "atomic" unit energy divided by 100?
I'm trying to match up energies to LAMMPS so I can check my force-field input.
Thanks.
Josh
What exactly is the atomic unit of energy in the output file for the initial energy out?
Is it Hartree, eV, etc? It appears it is just a factor of 100? So for example the total energy output in the *prp appears to be the "atomic" unit energy divided by 100?
I'm trying to match up energies to LAMMPS so I can check my force-field input.
Thanks.
Josh
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- jdmoore
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