[lammps-users] volume expansion

LAMMPS LAMMPS Mailing List Mirror
1

Hey,
I would like to know if there is any simple way to expand the volume of a super cell in lammps.
I have a data file which i use via read_data for a crystal heating simulation, and I would like to “pump” the volume of the super cell, say,
by 30% before I heat it up, while keeping the symmetry of the super cell by adjusting the locations of all atoms accordingly.

Any recommendation would be appreciated !

Thanks,
Dave

2

Hey,
I would like to know if there is any simple way to expand the volume of a
super cell in lammps.
I have a data file which i use via read_data for a crystal heating
simulation, and I would like to "pump" the volume of the super cell, say,
by 30% before I heat it up, while keeping the symmetry of the super cell by
adjusting the locations of all atoms accordingly.
Any recommendation would be appreciated !

try displace_box

axel.