QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Thushi on June 22, 2020, 01:23

Title: How to repeat the electrode in device configuration
Post by: Thushi on June 22, 2020, 01:23

Hi,
I have been following this tutorial https://docs.quantumwise.com/tutorials/atk_transport_calculations/atk_transport_calculations.html (https://docs.quantumwise.com/tutorials/atk_transport_calculations/atk_transport_calculations.html) to build a mono-layer WS2 device. When I tried to validate the electrode as mentioned in the tutorial, I get an error saying 'Some elements will be discarded in the self-energy calculation. It is recommended to repeat the electrode in the z-direction to reduce this error.' So I have been trying to increase the size of the electrode without any success. Even if I increase the length of the lattice along the Z direction, the default electrode length doesn't increase.
Do you know how to increase the electrode length along the z-direction?
Your help is very much appreciated! Thank you! 

Title: Re: How to repeat the electrode in device configuration
Post by: mlee on June 22, 2020, 11:24

Which version do you use? The tutorial version is 2015. Current version uses the minimal electrode, but can adjust the electrode extension in the central region. When you create the device from bulk,  you can create the larger electrode extension if it is enough longer in z-direction. Another option you can find is electrode size for selecting the left or right electrode extension length.