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: > >> > >> Send Pw_forum mailing list submissions to > >> pw_forum at pwscf.org > >> > >> To subscribe or unsubscribe via the World Wide Web, visit > >> http://www.democritos.it/mailman/listinfo/pw_forum > >> or, via email, send a message with subject or body 'help' to > >> pw_forum-request at pwscf.org > >> > >> You can reach the person managing the list at > >> pw_forum-owner at pwscf.org > >> > >> When replying, please edit your Subject line so it is more specific > >> than "Re: Contents of Pw_forum digest..." > -- M. O. ATAMBO mikeat4999 at gmail.com student, computational material science group Chepkoilel university college. Department of Physics -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110805/b7166c65/attachment-0001.htm