I-V of the nanowire is not able to converged

[Monika srivastava]

Dear Sir

I want to calculate the IV for the attached file of nanowire but it is not converging although in bulk form it has already converged. I have changed the k points, reduced step size, increased number of steps, reduced damping factor etc. but not able to converge to require tolerance.

I have also tried to compute the transmission spectrum but it has also not converged above 0.2V.

[monikas@iiitm.ac.in]

Dear Sir

Please reply is there any problem in the file or how can I get IV for the attached file.

[mlee]

It is hard to support this problem because it really depends on the configurations.
Can you try very small steps such as 0.01V, 0.02V instead of 0.2V? 

[monikas@iiitm.ac.in]

Thank you sir
but i have tried to compute at smaller steps 0, 0.05, 0.1, 0.15, 0.2 etc, but i face a problem i.e. it is converged at 0, 0.05, 0.1, 0.15, 0.2, 0.35 but not converged at some points 0.25, 0.3V etc. please suggest how to converged at that points.

[guojunnan]

Thank you sir
but i have tried to compute at smaller steps 0, 0.05, 0.1, 0.15, 0.2 etc, but i face a problem i.e. it is converged at 0, 0.05, 0.1, 0.15, 0.2, 0.35 but not converged at some points 0.25, 0.3V etc. please suggest how to converged at that points.

Hi! Have you solved this question? I also met this question these days. i feel it is not easy to solve this ?could you give me some advise?

[guojunnan]

It is hard to support this problem because it really depends on the configurations.
Can you try very small steps such as 0.01V, 0.02V instead of 0.2V?

hello!sir. i am a new user of Quantum ATK, could you tell me  how to know  the device is correct?I will be grateful if you could give me some useful questions