Hi again, In this case I suggest you can try increase k-mesh and cutoff energy. Actually, in some cases it is difficult to get good phonons and it is due to peculiarities of the band structure, say, flat portions. I had this problem for R-point in Ni3Al (see Sol.St.Comm. 129 (2004) 809–814).
Bests, Eyvaz. --- Alberto Milani <alberto.milani at chem.polimi.it> wrote: > Dear Eyvaz, > I have already tried changing thr2_ph from 1d-10 to > 1d-12 and even more. > Unfortunately, my longitudinal acoustic frequencies > are still not good enough > (the geometry of my system has been carefully > optimized and any kind of > instabilities have been removed). > Have you any other suggestion? > Thank you very much. > A.M. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > __________________________________ Start your day with Yahoo! - Make it your home page! http://www.yahoo.com/r/hs
