This LAMMPS simulation made specific use of work described in the
following references.  See https://www.lammps.org/cite.html
for details.

compute_xrd command:

@Article{Coleman13,
 author = {S. P. Coleman, D. E. Spearot, L. Capolungo},
 title = {Virtual diffraction analysis of Ni [010] symmetric tilt grain boundaries},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 year =    2013,
 volume =  21,
 pages =   {055020}
}

compute_saed command:

@Article{Coleman13,
 author = {S. P. Coleman, D. E. Spearot, L. Capolungo},
 title = {Virtual diffraction analysis of Ni [010] symmetric tilt grain boundaries},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 year =    2013,
 volume =  21,
 pages =   {055020}
}