QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Roc on February 4, 2018, 01:33
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Dear Sir,
Have you checked the information in the example of mobility (https://docs.quantumwise.com/tutorials/mobility/mobility.html#mobility)? For example, is there any information lost in 3A and 3B sections? It is difficult to follow the work, and I have got some different results.
Thank your.
Roc
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Could you describe in more detail what you are expecting to be missing, and what are the differences in the results? Seeing some scripts you have been using would be of help.
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Dear Petr Khomyakov,
I think, in 3A and 3B, it should set analysis from file including the calculated DM and EPC to calculate mobility. Could you share your all scripts for this mobilty example.
Thank you very much.
Roc
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Dear Petr Khomyakov,
Could you share all the scripts of mobility example? Thank you very much!
Or could you redo or follow this example?
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Hi.
https://docs.quantumwise.com/manuals/technicalnotes/occupation_methods/occupation_methods.html#occupation-methods
According to that tutorial Methfessel-Paxton smearing is used for metals. But in mobility tutorial, this method was used for graphene. Why?
Could we use Fermi-Dirac smearing to calculate mobility?
My another is about repetition of vacancy defect structures. The repetition of a nanosheet created 3 times in B direction and 5 times in C direction is 1, 3, 5. But if there is a vacancy in the structure, what should be the new repetition?
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I think, in 3A and 3B, it should set analysis from file including the calculated DM and EPC to calculate mobility. Could you share your all scripts for this mobilty example.
You are right - the scripts are missing in the tutorial. Thanks for spotting it. We will update the tutorial.