Hi Fabio, Thanks for your reply. In my previous calculations, I set the threshold to 10^-10/10^-14 for scf/phonon calculation respectively. According to your suggestion, I increase the precision to 10^-13/10^-19. The results indicate the previous threshold is enough.
Yuyang at RPI > ?Dear Yuyang, > > If I may ask (I did not follow the discussion, only now I saw your e-mail, so > I don't know what was discussed previously), what are the values of the > "conv_thr" and "tr2_ph" parameters used in your case? I never did phonon > calculations for your specific case, but using USPP for Ag/Cu/Au/Pt, the > phonon frequencies are already converged at wfc and charge cutoffs of 40/480, > as long as one performs a very accurate scf and phonon calculation. For > silver, for example, I had to use a "conv_thr" as low as 10-12, and tr2_ph > about 10-19. > > Fabio Negreiros Ribeiro > Post-doc at CNR > Pisa - Italy
