[Pw_forum] PWscf can not find out symmetry operations!!!
akohlmey at cmm.chem.upenn.edu
Fri Sep 1 17:40:23 CEST 2006
On 9/1/06, Yingli Niu <niuyingli at gmail.com> wrote:
> My case is as the same as Wang's.
out of curiosity. how much is that related to the _wavefunction_
cutoff? 70ry to the quoted systems seems to be a bit on the
low side for norm-conserving pseudopotentials to me (of course
that will increase the default density cutoff automatically as well).
> On 9/1/06, Yanchao Wang <yanchao.w at gmail.com> wrote:
> > On Sep 1, 2006, at 08:57:32 +0200, Prof. Baroni wrote:
> > > > I only found this feature at Gamma point, for other points I will
> > > > test!
> > >
> > > gamma is enough. what about non-acoustic phonons?
> > In my case increasing ecutrho will decrease the acoustic phonon
> > frequences at Gamma point.
> > Non-acoustic phonons also decrease but not too much!
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Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
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