QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ryuth17 on October 17, 2014, 06:53

Title: I-V calculation
Post by: ryuth17 on October 17, 2014, 06:53

I want to simulate the I-V at different bias.(3.0 ~ -3.0 V)
Sometimes, the calculation was terminated during converging at certain bias,
So i want to get the I-V data before it is stopped.
how can i get the I-V data without restarting converging?

example) 3.0 ~ -2.5V-> scf converge ,-2.6V -> not converge , -2.7~-3.0 don't converge
               I want to get the I-V at 3.0 ~-2.5 V.

Title: Re: I-V calculation
Post by: Umberto Martinez on October 17, 2014, 09:33

Check the Finite-bias calculations (http://quantumwise.com/publications/tutorials/item/820-ni-silicide-si-interfaces) section and in particular the SCF configurations filename parameter in IVCurve.

You will be able to save the converged (and non converged) device configuration.
Later on in the tutorial is explained how to calculate the Transmission spectra and IVCurve from the saved configurations.

Unfortunately, at the moment you will have to recalculate the transmission spectra. But only that.

Title: Re: I-V calculation
Post by: ryuth17 on October 20, 2014, 07:57

Thanks your reply.
I tested a simple system as you sent me the link.
The I-V calculations were carried out successfully with the all configurations file.
Thanks. 

Title: Re: I-V calculation
Post by: Umberto Martinez on October 20, 2014, 09:14

Great!