---------- Forwarded message ---------- From: Payam Norouzzadeh <[email protected]> Date: Sun, Feb 5, 2012 at 7:33 PM Subject: Re: [Pw_forum] No plane waves To: Paolo Giannozzi <giannozz at democritos.it>
Dear Prof.Giannozzi Does it mean that I don't need to restart the job because it is happening in the last step? Even when I submit a job with last atom coordinates and lattice vectors I obtained from previous runs but in the "from_scratch" mode the same error is produced "No plane wave....".Do I need to increase the cutoff energy? Thank you. Best regards,Payam Norouzzadeh On Sun, Feb 5, 2012 at 1:49 PM, Paolo Giannozzi <giannozz at democritos.it>wrote: > > On Feb 4, 2012, at 22:55 , Payam Norouzzadeh wrote: > > I have attached the last lines of output >> > > if you are running in parallel, there is no guarantee that > the last lines of output are really the last lines of output. > > The number of plane waves per processor is kept constant > during a variable-cell optimization, except for the last step > when the number of plane waves is recalculated. The number > of plane waves per processor is printed at the beginning, in > the section > G-vector sticks info > -------------------- > sticks: dense smooth PW G-vecs: dense smooth PW > > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120205/0f484d06/attachment.htm
