Thank you, Stefano! Ryky Nelson Institut für Anorganische Chemie RWTH Aachen University
On Fri, Jun 3, 2016 at 10:52 AM, stefano de gironcoli <[email protected]> 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 > > > _______________________________________________ > Pw_forum mailing > [email protected]http://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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