Pablo Aguado wrote: > That's weird, I made a previous relaxation of cubic PbTiO3 with > similar input and at the end I got [...] > Parrinello-Rahman Damped Dynamics: convergence achieved
nice, somebody has implemented convergence criteria. > How is that possible? likely you chose convergence criteria that were too strict. P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
