On Tue, 17 Feb 2009 12:04:14 +0100, Cyrille Barreteau <cyrille.barreteau at cea.fr> wrote: >> " End of self-consistent calculation >> convergence NOT achieved after 100 iterations: stopping "
I think this is the electronic convergence, not the ionic... anyway with so few details I can't really give meaningful advice. 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/
