QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Jahanzaib on October 28, 2022, 00:22

Title: Error and Role of electron temp
Post by: Jahanzaib on October 28, 2022, 00:22
Hello, I have been encountering this issue again and again but couldn't figure it out.

# The computed multigrid residual is greater than the required accuracy.       
# Computed residual :   1.48902e-12                                           
# Required accuracy :   1.00000e-12 

I also want to know "What is role of electron temperature in device calculation?  It's 300K by default but if the temperature is increased - does it plays significance role in convergence or it's role is different?
Title: Re: Error and Role of electron temp
Post by: Jahanzaib on November 1, 2022, 17:59
Waiting for the response
Title: Re: Error and Role of electron temp
Post by: Anders Blom on November 8, 2022, 08:16
If the message appears once and doesn't seem to influence the calculation, you could ignore it. For better troubleshooting, one would need much more details of the system.

The temperature is used to broaden the Fermi function, which makes convergence smoother. Increasing it usually does not provide any improvement for semiconductors and may in fact give the wrong Fermi level position, but it can help for metals.