Dear all, I am running phonon calculations for a supercell of 60 atoms at the gamma point. I am running the calculation at the gamma point only. First I tried running it on two nodes but then I realised it is going too slow (I have got 180 IRRs representations). I then changed to 3 nodes but still , things are slow. The threshold tr2_ph was set to 10^(-17) as higher values produced negative (frequency)^2 modes. What could the possible causes of this slowness be? Is it something to do with the nodes or with phonon calculations in general? Is there a way to check?
Regards Elie MUniversity of NottsNG7 2RDUK -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120316/c74910e2/attachment.htm
