Dear all,

I know how to run the code and so on. But I have a practical question. Could you please tell me what is the optimum way to run 21 kpts? Suppose one can consider 16 cores per node.
Considering one node with 16 cores is the optimum way or there is another alternative?
the kpt mesh is 6*7*1.

Best,

Many thanks for your response. 20 atoms I would say.