Dear Subhradip, This is really FAQ in the forum. So, please, search the forum archive, and have a look at the users-guide in /DOC (Page 59 if PDF file, ?warning: symmetry operation # N not allowed?)
To get rid of this message you can choose manually nr1,nr2, nr3 in &system or increase ecutrho. Bests, Eyvaz. --- Subhradip Ghosh <subhra at iitg.ernet.in> wrote: > I am trying to run self-consistent calculations on a > heusler structure > with tetragonal distortion i.e. c/a=1.2. In the very > beginning I am > getting the following warnings: > > > warning: symmetry operation # 2 not compatible > with FFT grid. > 0 1 -1 > 1 0 -1 > 0 0 -1 > warning: symmetry operation # 3 not compatible > with FFT grid. > 0 -1 1 > 0 -1 0 > 1 -1 0 > warning: symmetry operation # 4 not compatible > with FFT grid. > -1 0 0 > -1 0 1 > -1 1 0 > warning: symmetry operation # 5 not compatible > with FFT grid. > > What could be the cause for this and how to get rid > of it? I ran > calculations with c/a=0.9 and c/a=1-the warning > didn't ocuur. But it is > coming up with c/a=1 and c/a=1.2. > > Subhradip > > ************************************************************************ > Dr. Subhradip Ghosh > Assistant Professor > Department of Physics > Indian Institute of Technology > Guwahati,Assam-781039 > India > E-mail:subhra at iitg.ernet.in > Phone: +91 361 2582717(O) > +91 361 2584717(R) > Fax: +91 361 2582749 (Physics) > +91 361 2690762 (General) > ************************************************************************ > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > ------------------------------------------------------------------- Prof. Eyvaz Isaev, Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, IFM, Linkoping University, Sweden Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com ____________________________________________________________________________________ Never miss a thing. Make Yahoo your home page. http://www.yahoo.com/r/hs
