Dear Eyvaz, Thanks. But, if I do not try to get rid of message, what could be the consequences?
Subhradip > 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > ************************************************************************ 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) ************************************************************************
