Hi, Try nstep=100 in &control section
Bests, Eyvaz. --- "H.S.Domingos" <hsd22 at hermes.cam.ac.uk> wrote: > Dear All, > > could you please tell me how to change the maximum > number of iterations > that vc-relax will do. > > at line : > > Entering Dynamics; it = ... > > I am getting allways 50 iterations. How can I change > that ? > > Thank you very much in advance, > > Helder > > > ======================================================================= > | Dr. Helder S. Domingos > | > | > | > | INESC Microsyst & Nanotechnol, Lisbon, P-1000 > Portugal | > | and > | > | R&D unit for Molecular Chemical Physics > | > | Chemistry Department, University of Coimbra > | > ======================================================================= > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com
