[DFTB-Plus-User] R: cylindrical gate set up

[Alessandro Pecchia]

Hi.
I tested recently cil. Gate on a CNT and it works. However with no insulator. 
Please try first without. (Do not set insulator radius and kappa.)

Concerning convergence it might depend on the system. I only used (and published) cil gates with CNTs and SiNWs. 

We will try to sort the problems as soon as possible.


A. Pecchia


Inviato da Samsung MobileXiaobao <xiaobaojsyz at 163.com> ha scritto: Hi,

Anyone know how to set up a cylindrical gate? I referred the manual, it says now Planar gate is allowed, however, when we check the source code, seems there is some way to set up a cylindrical gate and also there are already some work used cylindrical gate. I would be very appreciated if you can give some idea. My current try is:
 Gate = Cylindrical{
    GateLength [Angstrom] = 10.0
    GateRadius [Angstrom] = 18.0
    kappa = 3.9
    InsulatorLength [Angstrom] = 20.0
    InsulatorRadius[Angstrom]=12.0
    GatePotential [eV]= 0.001
    }
but the runs are not converge. If I remove this part, then it converges well. I have tried to vary the radius and length, but it did not help. I am guessing there is something wrong with gate setup. Thank you for you r help!
xiaobao,


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