Can lammps calculate the shear modulus under the hydrostatic pressure?

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1

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.

2

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<akohlmey@…24…> wrote：