t;
> On Fri, Jun 3, 2016 at 7:22 PM, veronica sanchez
> wrote:
> > Hi,
> >
> > I received an alert for the system manager of the cluster here due to the
> > excess of the system CPU consumption of the jobs I am running using the
> QE
> > code. As far as I und
Hi,
I received an alert for the system manager of the cluster here due to the
excess of the system CPU consumption of the jobs I am running using the QE
code. As far as I understand it is running not in the best way and
calculation may be slower than it should be.
I will set the OMP_NUM_THREADS t
ent release of Environ only works with QE-5.1.1 and
> QE-5.1.2, not yet with the most recent release of QE-5.2. There will be a
> new release of Environ soon, that will be compatible (and have some new
> features, including the possibility to restart a calculation) soon.
>
> Best
Dear all,
I am a young researcher working on adsorption of organic molecules upon
carbonate surface. I would like to evaluate the solvation effect on it, so,
in order to do that I would like to employ the SCCS recently implemented on
the QE.
As far as I understand to add the solvent environment t
Maybe this could help you:
http://itp.tugraz.at/LV/ewald/TFKP/Literatur_Pseudopotentiale/Paulatto_08_PP_summ.pdf
On Tue, May 7, 2013 at 3:25 PM, Yantao Wu wrote:
> Dear QE helpers and users,
>
> I'm running a vc-relax calculation on a six-element alloy. First I used
> the following list as p
