Author Topic: I-V of the nanowire is not able to converged  (Read 208 times)

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Offline Monika srivastava

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I-V of the nanowire is not able to converged
« on: August 3, 2021, 08:35 »
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.

Offline monikas@iiitm.ac.in

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Re: I-V of the nanowire is not able to converged
« Reply #1 on: August 31, 2021, 18:22 »
Dear Sir

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

Offline mlee

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Re: I-V of the nanowire is not able to converged
« Reply #2 on: September 3, 2021, 13:33 »
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? 

Offline monikas@iiitm.ac.in

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Re: I-V of the nanowire is not able to converged
« Reply #3 on: September 12, 2021, 17:22 »
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.