The enlargement of the cell only occurs if your initialized unit cell is very small (below 1.0d-8 Bohr **3). So I would very much like to see an input fdf and the output of the command. I am guessing that you have specified your unit cell incorrectly.
Kind regards Nick 2012/8/22 R.C.Pasianot <[email protected]> > > Ok, that's what Nik pointed out, it seems to me. > Strange, however, that by changing a default behavior you make > a program work while it doesn't under user specified conditions. > There must be a bug somewhere ... > Anyway, good luck, > > Roberto > > > On Tue, 21 Aug 2012, Abhishek Asthana wrote: > > I found it. You can change the 10% tolerance to whatever you like by >> changing it in "automatic_cell.f" file. >> >> Abhishek >> >>
