Thank you for your suggestion, I will first try a smaller beta. Yun-Peng
On 09/11/2015 05:00 PM, Youssef wrote: > Dear Yun-Peng, > > Generally non-collinear calculation is hardest to converge, but I > can't figure it out without knowing your physical system nor without a > complete scf file. > > But firstly, you should reduce your mixing factor instead of increase > it , start with mixing_beta = 0.1 and compare. > > Youssef Aharbil, > Laboratory of Physics and Chemistry of Materials > Faculty of sciences Ben msik, Casablanca > Morocco > > > > > _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
