]
Sent: Wednesday, September 23, 2015 2:45 AM
To: PWSCF Forum
Subject: Re: [Pw_forum] Problem in average.x
Try to relaunch it on just one processor, usually it is very fast and it does
not require parallelization.
Giovanni
On 23 Sep 2015, at 00:06, Huang, Xu
<xu-hu...@uiowa.edu<mailto
Try to relaunch it on just one processor, usually it is very fast and it does
not require parallelization.
Giovanni
> On 23 Sep 2015, at 00:06, Huang, Xu wrote:
>
> Dear all,
>
> I'm using QE to plot the layer-averaged potential for hematite (Fe2O3)
> surface slabs. I
Dear all,
I'm using QE to plot the layer-averaged potential for hematite (Fe2O3) surface
slabs. I did scf (pw.x) first, then got the potential (pp.x), and finally tried
to make layer-averaged potential (average.x) along surface normal. The first 2
steps were successful and finished in ~10
On Apr 10, 2012, at 24:39 , Tram Bui wrote:
> For an input file of average.x calculation, and I defined the nfile=1,
> since I have only one data file from pp.x calculation. I got an error
> say: "nfile value is wrong". Would you please give me some
> suggestion on what might be the issue?
the
Dear All QE Users,
I did an average.x calculation for my bulk SiC structure. I know the
process includes: scf calculation, pp.x to obtain 3D potential, then
average.x to obtain macroscopic 1D potential. For an input file of
average.x calculation, and I defined the nfile=1, since I have only