Dear authors,
please, explain me how to write correctly the atom coordinates into a file:
I have made a series of simulations (diffusion in silicon crystal etc.)
and what I see every time in output file prepared with DUMP command is the initial coordinates of ideal lattice, not real coordinates of the heated system!
An example of input script is after the ltter.
Hope to hear from you soon,
Sincerely,
Viktor Belko, Dr.
Dear authors,
please, explain me how to write correctly the atom coordinates into a file:
by using the dump command.
I have made a series of simulations (diffusion in silicon crystal etc.)
and what I see every time in output file prepared with DUMP command is the initial coordinates of ideal lattice, not real coordinates of the heated system!
it works for me. i get 11 frames that diffuse around.
the first frame, of course, is the starting configuration.
An example of input script is after the ltter.
you are using an obsolete version of lammps.
please upgrade.
axel.