[QE-users] Number of iteration for PAW pseudopotential

[Pooja Vyas]

And in fact time taken using PAW is more than the US. For instance, the
time taken by the US for a particular calculation was around 15-20 seconds
which is around 1 minute for PAW. Is this normal? Or am I wrong anywhere?

On Thu, Dec 24, 2020 at 12:38 PM Pooja Vyas <poojavyas595 at gmail.com> wrote:

> So far till now I have been using ultrasoft pseudopotential for my
> calculations and recently for the first time I switched to PAW
> pseudopotential. Energy convergence with US pp used to take place within
> 10-20 iterations while PAW is taking around 60-65 iterations for the same
> structure. Can I know why PAW takes more number of iterations?
> Thanks. Regards.
>
>
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