Hi,

I have a question about size of my system after equilibration npt.

My system is Si 5x5x300nm, equilibration npt from 300K to 300K and Tdamp is 0.1K for 2 ps.

The volume of my system is changing from 7175 nm^2 to 7200 nm^2. My question is: the difference is 25 nm^2, so is it mean that cube root of 25 (which is ~3 nm) is the same value that the system increases of in x, y and z direction equally?

Is there any command in LAMMPS to check the size of a system after equilibration? Like I said I already have the volume, but I am interesting in specific length of each edge of my system.

Hope to get your answer!

Thanks a lot

2015-03-30 11:29 GMT+02:00 Marta Wydra <[email protected]...>:

Hi,

I have a question about size of my system after equilibration npt.

My system is Si 5x5x300nm, equilibration npt from 300K to 300K and Tdamp

is 0.1K for 2 ps.

The volume of my system is changing from 7175 nm^2 to 7200 nm^2. My

question is: the difference is 25 nm^2, so is it mean that cube root of 25

(which is ~3 nm) is the same value that the system increases of in x, y and

z direction equally?

Is there any command in LAMMPS to check the size of a system after

equilibration? Like I said I already have the volume, but I am interesting

in specific length of each edge of my system.

You can write the box lengths/boundaries as thermo output (for example).

See http://lammps.sandia.gov/doc/thermo_style.html

Kristof