A week back, I have posted a problem on minimization at zero degree kelvin. I could sort out how to minimize a dislocation in a Al crystal.
My problem now is: Splitting distance between partials after minimization is very high and equal to 50 Angstroms, when I used energy tolerance to 1.0e-7.
But the elastic solution for Aluminium is around 16 Angstroms. I am able to get this distance only when I increase the tolerance to 1.e-5.
Is minimization so sensetive to energy tolerance? Am I doing any mistake in i/p. Please help. I am attaching the i/p file
# LAMMPS data file for rigid bodies
1 atom types
-104 104 xlo xhi
-53 49 ylo yhi
0 73 zlo zhi