Hello LAMMPS users,
I am using LAMMPS window version 19 March 2020.
I am using compute stress/atom and computed quantity is in units of pressurevolume as mentioned in LAMMPS doc. I have used metal units for which distance (in Angstroms), energy (in eV) and pressure (bars). Here, is computed quantity pressurevolume (for units metal) in bars*Angstroms^3 or eV?
Thanks and regards,
It is in bars*Angstroms^3
Στις Δευ, 6 Σεπ 2021 στις 7:53 π.μ., ο/η ANKIT CHAUHAN via lammps-users <[email protected]> έγραψε:
Thank you, Evangelos. It seems the units is in barsAngstroms^3. But why LAMMPS considered barsAngstroms not in eV? For units metal, Energy is in eV.
I do not have in-depth knowledge of the related source code, to be honest, and I cannot answer with certainty.
Στις Δευ, 6 Σεπ 2021 στις 8:09 π.μ., ο/η ANKIT CHAUHAN <[email protected]> έγραψε:
the units are chosen because it is pressure*volume. since it is the pressure that you are usually after, it would be awfully inconvenient if it would be reported in different units.
Thank you for the clarification.