Hello there,
I have a question about read_data command. If we use a read_data command in the middle of our script (create_atoms and lattice commands have been already used) does this command effect on the system lattice that will probably be used by other commands (such as create_atoms) afterwards? Or next atoms will be influenced by the first lattice command?
Kind Regards,
Nader Ameli
Hello there,
I have a question about read_data command. If we use a read_data command
in the middle of our script (create_atoms and lattice commands have been
already used) does this command effect on the system lattice that will
probably be used by other commands (such as create_atoms) afterwards?
no. read_data has no impact on the lattice settings.
Or next atoms will be influenced by the first lattice command?
the lattice command is best understood as some kind of ruler. it has no
impact on the computation whatsoever and it can be used as many times as
you wish. it is only relevant to commands, that are set to use (or default
to) lattice units (rather than box units) and in that case always the
settings from the latest lattice command apply.
axel.