Well I think You have not specified the type of run in your input file. Put 'MD.TypeOfRun=CG' and try again. Best of luck.
Younas Khan On Wed, Dec 2, 2015 at 5:30 PM, Riya Rogers <[email protected]> wrote: > Here is my fdf file. > > Regards > Riya > > On Mon, Nov 23, 2015 at 9:20 PM, Younas Khan <[email protected] > > wrote: > >> Kindly share your input file so that it becomes easy to find out where >> you are making a mistake. >> >> Thanks >> >> >> On Mon, Nov 23, 2015 at 4:52 PM, Riya Rogers <[email protected]> >> wrote: >> >>> >>> Hello everyone >>> >>> I am trying to simulate the Zigzag Graphene Nanoribbon (hydrogen >>> passivated)with boron doping for my project work. But transiesta won't >>> converge. >>> >>> Which parameters should I vary to achieve convergence? >>> Can anyone help me in converging transiesta? >>> >>> Thanks >>> >>> Regards >>> >>> >> >
