On Tue, 2012-01-31 at 10:31 -0500, Bahadir Altintas wrote: > For bfgs steps, it converges around 0.01 Kbar > but last scf shows -500Kbar total stress this is the typical observed behavior when the cutoff is very low P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy