Dear Lammps users,
I am trying to global optimise a structure as a test run e.g. ZnO.
I am not sure whether this input file is correct to do that so or not.
In my opinion it is wrong because the below input file produces positive energy structure, which is 33.5442 eV.
However, I am not sure which command is wrong and which command I have to add.
Could you please inspect the input file?