On Thu, 09 Apr 2009 13:47:31 +0200, Dimpy Sharma <dimpy.sharma at tyndall.ie> wrote:
> > Hi > Can anybody please tell me the difference meaning of ecut_conv_thr and > forc_conv_thr The first doe not exist, the latter is the threshold for convergence of total force in a relax calculation. If instead of ecut_conv_thr you meant to write etot_conv_thr, than it would have been the threshold for convergence of total energy in a relax calculation (as a function of ions positions). It has not to be confused with conv_thr which is the convergence of scf energy in a single step of a relax calculation. Please, have a look at the documentation in the Doc/ directory. regards -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/
