[lammps-users] density in lj units

Hello,

Could you tell me, please:

i want to create a fcc lattice in LJ UNITS,
so i want to have a density about 1.4 kg/m^3.

Using command “lattice fcc 0.82” will i get a density close to 1.4 kg/m^3 ?

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Hello,

Could you tell me, please:

i want to create a fcc lattice in LJ UNITS,
so i want to have a density about 1.4 kg/m^3.

here we go again...

why do you insist on using reduced units when
*all* your questions are about real units??

the lammps documentation gives you all the tools
and information that you should need to answer this
question for yourself. please don't bother the list
with questions that are effectively for you to find out.

my overall advice remains the don't use reduced
units, but some choice of real units and be done with it.

thanks,
    axel.

You just need to plug into the formula you listed.
rho* is 0.82 and N/V is the number density. You
can convert to mass density as well.

Steve

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You should read the Appendix B of Allen and Tildesley
for a good discussion of reduced units.

Steve

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