(no subject)

Hi All.

I am a new bee to LAMMPS, and trying to find out the Critical Resolved Shear Stress for pure Cu with one edge dislocation. My orientations are x 1 1 0 y -1 1 1 z 1 -1 2…

I am defining the atom coordinates, and input them to LAMMPS, and performing energy minimization. What i see is that the simulation box is continously increasing in size when i am using fix 1 all box/relax iso 0.0 command, while the atoms seem to be where they are. Can someone help please…??? I am attaching the i/p file.

units		metal
boundary	p p p

atom_style	atomic

lattice	        fcc 3.615

###53100 atoms
	###1 atom types

###-36	241	 xlo xhi
###-55	222	 ylo yhi
###-37	71	 zlo zhi

read_data    data.edgedislocation

min_style      cg

fix           1 all box/relax   iso 0.0

fix            2 boundary setforce 0.0 0.0 0.0

minimize        1e-5 1e-5 10000 10000


Thanks.

Sagar

If you don't define interactions between the atoms why should they move?
Carlos

In addition, what are you trying to accomplish with your fix 2.
Moreover, that fix uses the group boundary
that is not defined in the input file you provided. If you only show
pieces of your input none here is going to bother spending time in
helping you as you will be wasting their own time.
Carlos