[Pw_forum] wavefunction output in PAW calculations
stefano de gironcoli
degironc at sissa.it
Fri Jun 3 10:52:42 CEST 2016
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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