Dear Nic, I have just downloaded your thesis and will read chapter 4 now.
All the best, Ben Palmer > On 27/02/2013 18:43, Ben Palmer wrote: >> Dear Stefano, >> >> I've just finished running the calculations, and I've quickly put the >> results into excel. K-points were 6,8,10,12,14,16,18. >> >> Energy v K-points: > > 1) I'd plot as a function of smearing, not of k-points. > > 2) forces rather than energies are much more interesting. > > 3) read chap 4 of http://theossrv1.epfl.ch/index.php?n=Main.Theses > > nic > > >