Hi Tao,
No, it is not possible. That's why I had to tinker with the source
in order to do what you want, and for that same reason. Now my
MD.FCfirst and MD.FClast really mean individual displacements.
Those changes are not difficult to implement, I might even send you
the involved sources if can
Dear All
I am working on a FC calculation on a large system. I know that we can
split the calculation over every atoms in the unit cell. But in my case
the FC calculation stop at the 6th step because of the walltime, and I
don't want to repeat the previous 5 steps with more CPU cores again
