[Pw_forum] Problem With Total-Energy Convergence vs. ecutwfc

[Vic Bermudez]

Hello,

	I seem to be having some serious trouble getting total energies to converge as I vary
"ecutwfc" and "ecutrho". This is for a slab-model calculation, using PBE and USPP's, for
an HF molecule reacting with the surface of Si3N4. The total energy results I get in
representative calculations are:

	ecutwfc = 40  ecutrho = 400  Etot = -1504.8173322951
	ecutwfc = 50  ecutrho = 500  Etot = -1505.03408093
	ecutwfc = 60  ecutrho =720   Etot = -1505.12486679