How to change metal unit energy to kcal/mole in same unit in lammps

LAMMPS LAMMPS General Discussion
1

I using metal units for SW potential but its energy i need in Kcal/mole. how to change energy units to kcal/mole without changing whole unit to real.

2

Figure out the conversion factor and multiply all numbers by it.
That is most easily done in post-processing.

3

Is it possible to do within lammps so that energy between atoms will be in kcal/mol not in eV

4

Of course not!
The internal unit of energy will be the unit chosen by the units command.
If you want something else, you need to convert it.

So if you want to use “real” units internally you must use “units real”.
That means that you need to convert the parameters of the SW potential from metal to real.

Now, if you use a sufficiently recent version of LAMMPS and the potential file has the proper UNITS: metadata tag that indicates it is using metal units, then LAMMPS can do the conversion of the SW potential parameters for you when reading the potential file. Please see the note at the bottom of the documentation for the pair style (under “Restrictions”): pair_style sw command — LAMMPS documentation

5

thank you for your answer