[Pw_forum] pw.x seg. faults with EXX

[mike at.]

Omolulu


On Fri, Aug 5, 2011 at 9:24 AM, Omololu Akin-Ojo <prayerz.omo at gmail.com>wrote:

> Thank you, Naphtaly, I think I understand your explanation.
>
> It will be nice if the program prints out an appropriate error message
> instead of seg-faulting -- this way, others users do not waste their
>

The "seg-fault"  IS an "approppriate"  error message imho.
http://en.wikipedia.org/wiki/Segmentation_fault




> time trying to fix the problem like I did.
>
> Thanks again.
>
> o.
>
> On Thu, Aug 4, 2011 at 3:07 PM, naphtaly moro <moronaphtaly84 at gmail.com>
> wrote:
> > Dear Omolou
> > It is because one sets the ecutrho to greater than for for ultrasoft PP,
> but
> > since EXX as implemented in QE uses normconserving pp it is not hence
> > necessary to increase the ecutrho to more than 4
> > Kind Regards
> > ==============================================
> > OUMA, Cecil Naphtaly Moro
> > PhD. Student
> > Physics Department, University of Pretoria, South Africa
> > Office 5-61, NW-1 Building
> > Cell: +27 721385182
> > ==============================================
> >
> > "Clouds are not spheres, mountains are not cones, coastlines are not
> > circles,
> > and bark is not smooth, nor does lightning travel in a straight line." -
> > Benoit Mandelbrot
> >
> >
> >
> > On Thu, Aug 4, 2011 at 1:04 PM, <pw_forum-request at pwscf.org> wrote:
> >>
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-- 
M. O. ATAMBO
mikeat4999 at gmail.com
student, computational material science group
Chepkoilel university college.
Department of Physics
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