Dear Zahra, please try this input. I think it should work well.
Best regards, Peter On Mon, Aug 1, 2011 at 4:02 PM, zahra zarei <[email protected]> wrote: > hi every body > I'm a new user > I'm going to study C60 molecule in cubic > I put a few number in AtomicCoordinat, > but my fdf can't be run.I examined diferent > LatticeConstantes,NumberPulay,... . > how I can run my fdf when I change AtomicCoordinat????????? > please help me > tanks a lot -- Dr. Peter Koval inet: http://sites.google.com/site/kovalpeter/ phone: +34 943 01 8770
fullerene-c60.fdf
Description: application/vnd.fdf
