QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: E_Laudadio on June 10, 2021, 09:56

Title: Mobility
Post by: E_Laudadio on June 10, 2021, 09:56

I simulated the electron mobility of 1 monolayer of MoS2, and I obtained results. Now I want to simulate the same thing adding a 2 nm thick SiO2 as support under MoS2 system.
When I start with simulation, the calculation stops after few minutes. I already tried to change pseudopotential and basis set, but it is still not working.
How can i solve the problem?
Another question is:
Is the limitation of mobility by photons included in the simulation?

Title: Re: Mobility
Post by: mlee on June 11, 2021, 10:32

Can you provide the input and log files if it is possible? Then it will be clear to see the issues. 

Title: Re: Mobility
Post by: E_Laudadio on June 11, 2021, 11:21

Sure, please see the attached files