Omolulu <br><br><br><div class="gmail_quote">On Fri, Aug 5, 2011 at 9:24 AM, Omololu Akin-Ojo <span dir="ltr"><<a href="mailto:prayerz.omo@gmail.com">prayerz.omo@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Thank you, Naphtaly, I think I understand your explanation.<br>
<br>
It will be nice if the program prints out an appropriate error message<br>
instead of seg-faulting -- this way, others users do not waste their<br></blockquote><div> </div><div>The "seg-fault" IS an "approppriate" error message imho.<br><a href="http://en.wikipedia.org/wiki/Segmentation_fault">http://en.wikipedia.org/wiki/Segmentation_fault</a><br>
<br><br> </div><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
time trying to fix the problem like I did.<br>
<br>
Thanks again.<br>
<font color="#888888"><br>
o.<br>
</font><div><div></div><div class="h5"><br>
On Thu, Aug 4, 2011 at 3:07 PM, naphtaly moro <<a href="mailto:moronaphtaly84@gmail.com">moronaphtaly84@gmail.com</a>> wrote:<br>
> Dear Omolou<br>
> It is because one sets the ecutrho to greater than for for ultrasoft PP, but<br>
> since EXX as implemented in QE uses normconserving pp it is not hence<br>
> necessary to increase the ecutrho to more than 4<br>
> Kind Regards<br>
> ==============================================<br>
> OUMA, Cecil Naphtaly Moro<br>
> PhD. Student<br>
> Physics Department, University of Pretoria, South Africa<br>
> Office 5-61, NW-1 Building<br>
> Cell: +27 721385182<br>
> ==============================================<br>
><br>
> "Clouds are not spheres, mountains are not cones, coastlines are not<br>
> circles,<br>
> and bark is not smooth, nor does lightning travel in a straight line." -<br>
> Benoit Mandelbrot<br>
><br>
><br>
><br>
> On Thu, Aug 4, 2011 at 1:04 PM, <<a href="mailto:pw_forum-request@pwscf.org">pw_forum-request@pwscf.org</a>> wrote:<br>
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student, computational material science group<br>Chepkoilel university college.<br>Department of Physics<br><br>