Dear Dr. Lorenzo Paulatto Thank you for your suggestion though, unfortunately commenting out the statement didn't resolve my problem. I thought I was pretty close, but now it seems that it's one of the input variables.
Based on what did you realize that my matdyn complained for non-converged or non-stable system? Would lowering either convergence threshold (conv_thr) or threshold for selfconsistency (th2_ph) make my system more stable? For now I have 'conv_thr=1.0d-8' and 'th2_ph=1.0d-14' If it was a matter of symmetry, shouldn't I look at the 'K_POINTS' now? I am sorry for asking each step of this process, but I have been stuck at this point for a while and lost. Thank you. Best Regards, On Mon, Oct 15, 2012 at 5:32 AM, Lorenzo Paulatto < lorenzo.paulatto at impmc.upmc.fr> wrote: > On 15 October 2012 07:24, Kyeong-hyun Park <kpark39 at illinois.edu> wrote: > >> Dear Dr. Lorenzo Paulatto and other users >> >> First of all, thank you for your advice. >> > > > Hi, > in order to properly remove the anisotropy you must also comment out the > line > CALL nonanal (nat, nat_blk, itau_blk, epsil, qhat, zeu, omega, > dyn) > which adds some non-analitical long range term even if lo_to is set to > false. > > I also notice that your matdyn complained for a large difference between > the old and new force constants when interpolation, which may signal that > your phonon calculation is non very converged (especially w.r.t the number > of plane waves), or not very stable, or that you are using less symmetry > that you should. > > > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC -- CNRS & Universit? Paris 6 > phone: +33 (0)1 44275 084 / skype: paulatz > www: http://www-int.impmc.upmc.fr/~paulatto/ > mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121015/d2179a0e/attachment.html
