Daniel,
What I meant was a smaller timestep size, smaller than the default one.
Also, was the reference value of 167 GPa obtained at 0K or 300K?
Cheers,
Ray
Daniel,
What I meant was a smaller timestep size, smaller than the default one.
Also, was the reference value of 167 GPa obtained at 0K or 300K?
Cheers,
Ray