Author Topic: Convergence issue  (Read 2543 times)

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Offline sandy

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Convergence issue
« on: April 8, 2015, 08:55 »
Dear sir
I'm running a simulation of Black Phosphor Tunneling FET, but after many time-consuming iterations, the convergence is not obtained and the result has a fluctuating behavior.
I use a computer with CPU: Cori7, 3.6GHz  RAM:24 GByte
The script has been attached.
Any help will be appreciated.

Offline Umberto Martinez

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Re: Convergence issue
« Reply #1 on: April 8, 2015, 12:39 »
It would be interesting to see the log file.
do you have problem for your zero or finite bias calculations?
You can try to increase the k-point sampling along the C direction to something like 200 points.