Hi, I don't see any specification of the output format. Are sure this is not simply a problem of units? by default I think distance are in Bohr with SIESTA and 2.8 Bohrs is about 1.48 angströms.
Yours, Nguyen Huu Chuong Institut für Festkörpertheorie Westfälische Wilhelms-Universität Wilhelm-Klemm-Straße 10, 48149 Münster [email protected] Tel. +492518333589 http://www.uni-muenster.de/Physik.FT/ Le 19 nov. 2012 à 14:25, Hakkim Vovusha a écrit : > Hi, > > I am doing force minimization of graphene and after first iteration the C-C > bond length is about 2.8 ang but the optimal bond length is 1.38 ang even > after 40 iterations still the value is about 2.8 ang i donot know what is > going on. Can any one help in this regard. I have attached the input. > > With regards > hakkim > <GRA.fdf>
