- #1

- 4

- 0

I have some problems with the convergence for the planewave cutoff energy, I tried to find the correct PWcE for a system with 2 atoms, I've determined the minimum k-point mesh with success, but when I compute the Total energy varying the PWcE, it seems that the convergence will be achieved till too high values of PWcE, should I change the pseudopotentials for the atoms?

I use DACAPO,

I'm Mexican by the way, so sorry if I made a mistake while I wrote this.

best,