Can lammps calculate the shear modulus under the hydrostatic pressure?

With your fix npt command:

fix NVT all npt temp {T} {T} 100 x 0 0 1000

you only allow it to modify the box size in x direction. how should there be any tilt?

axel.

Thanks, I realize it. The correct way is to set “tri 0 0 1000”, then the box angle can change.

On 12/25/2019 21:53,Axel Kohlmeyer<[email protected]…24…> wrote: