Author Topic: ATK output file netCDF  (Read 115 times)

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Offline theodorewynter

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ATK output file netCDF
« on: August 15, 2019, 03:20 »
I am in the process of writing code to make ATK output compatible with BoltzTrap2 which is based in python. When I read in the .nc file generated by ATK, I can't seem to find the list of k-points. That is, the irreducible list of k-points. I am not seeing a variable within the .nc file that contains this information.

Offline berna

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Offline Anders Blom

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Re: ATK output file netCDF
« Reply #2 on: August 23, 2019, 19:37 »
Why not use the Mobility functionality in ATK`? It's actually more accurate than the models used in BoltzTrap, and a lot easier to use :)

Offline theodorewynter

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Re: ATK output file netCDF
« Reply #3 on: August 25, 2019, 14:07 »
Thanks for the responses. In the study that I'm doing, I want to also compare the output from different Transport models that's why I'm including BoltzTrap2. I want to use the device calculations in ATK as well. Is that the mobility functionality you're referring to? If not, how do I find that? I'm using ATK 2016.4 by the way.

Offline Petr Khomyakov

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Re: ATK output file netCDF
« Reply #4 on: September 3, 2019, 11:56 »
You may have a look at our documentation, https://docs.quantumatk.com/tutorials/mobility/mobility.html and https://docs.quantumatk.com/manual/Types/Mobility/Mobility.html, for mobility functionality in QuantumATK.