[Pw_forum] [SOLVED ?] Re: weird phonon frequencies for 3X 3X 1 KPOINTS

2010-10-01 Thread Gabriele Sclauzero
On 09/30/2010 08:47 PM, Mehmet Topsakal wrote: > Dear Gabriele, > > Thank you very much for your suggestion. After including some > smearing, -5000 frequencies disappeared. But this > still cannot explain the 3X 3X 1 situation. Why is this situation so special? BTW, I cannot find any result about

[Pw_forum] [SOLVED ?] Re: weird phonon frequencies for 3X 3X 1 KPOINTS

2010-09-30 Thread Mehmet Topsakal
Dear Gabriele, Thank you very much for your suggestion. After including some smearing, -5000 frequencies disappeared. But this still cannot explain the 3X 3X 1 situation. For this reason, I plotted the positions of scf KPOINTS (see the attachments) and realized that the corner of the Brillouin zon