thank you so much Regards Riya
On Mon, Dec 7, 2015 at 10:29 AM, Younas Khan <[email protected]> wrote: > 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 >>>> >>>> >>> >> >
