My Pleasure. Younas
On Sun, Dec 13, 2015 at 1:17 PM, Riya Rogers <[email protected]> wrote: > 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 >>>>> >>>>> >>>> >>> >> >
