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Author Topic: Scf calculation of device IV not converged for higher electrode voltage  (Read 3196 times)

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Offline bera.1

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Scf calculation of device IV not converged for higher electrode voltage
« on: April 11, 2018, 16:29 »
Hi,
I need a help from quantumwise experts.
When I do a device calculation with Gold as electrodes and MoS2 as channel with a dielectric of k=4 and a metallic gate of 0.5 volt, the scf calculation is not converged when I apply a electrode voltage of 2 volt or higher than 2 volt. There is no problem in convergence upto 1.75 volt. For higher voltage greater than 1.75 volt I am facing the convergence problem.
So please help me in this issue. I appreciate you for your valuable suggestion.
Regards,
Jayanta
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Offline Ulrik G. Vej-Hansen

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Re: Scf calculation of device IV not converged for higher electrode voltage
« Reply #1 on: April 12, 2018, 09:49 »
Please see our new page with tips for convergence of device calculations: https://docs.quantumwise.com/technicalnotes/negf_convergence_guide/negf_convergence_guide.html
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