Hello,
As a starting value you can use the largest one among those reported in the
pseudopotentials that you are using.
Then you will have to test the convergence of your calculations (by varying
this value, probably upward), based on the total energy or the properties you
are interested in.
Dear QE experts,
I am a beginner in QE. I am a little confused about choosing an intial
value for ecutwfc in case its a molecule having multiple different atoms.
Please suggest me what can do to choose ecutwfc value in the intial scf
calculation?
Thanks..
_
