[Pw_forum] wavefunction output in PAW calculations

[Ryky Nelson]

Thank you, Stefano!

Ryky Nelson
Institut für Anorganische Chemie
RWTH Aachen University

On Fri, Jun 3, 2016 at 10:52 AM, stefano de gironcoli <degironc at sissa.it>
wrote:

> it's the smooth one, the only one whose Fourier components are reasonably
> converged within ecutwfc.
>
> stefano
>
> On 03/06/2016 10:43, Ryky Nelson wrote:
>
> Hello QE users,
>
> I'm still quite new with Quantum Espresso. In PAW calculations, is it the
> true wave-function or the smooth one which is output/written in case.wfc
> (or evc.dat in the case wf_collect = .true.)?
>
> Thanks in advance!
>
> Ryky Nelson
> Institut für Anorganische Chemie
> RWTH Aachen University
>
>
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