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General Questions and Answers / Missing SK Parameters from Install
« on: May 21, 2024, 20:13 »
Hello,
I am working through the examples found here:
https://docs.quantumatk.com/tutorials/transmission_gr_mos2/transmission_gr_mos2.html.
I am thrown the following error after running the setup:
"NL.ComputerScienceUtilities.Exceptions.NLValueError: The Slater-Koster parameters file Mo-Mo.skf was not found.
The full file path should be: C:\Program Files\QuantumATK\QuantumATK-V-2023.09\share\tightbinding\cp2k\Mo-Mo.skf"
However, I cannot find the Mo-S.skf parameters in the quantumATK install. How can I update the tightbinding/ SK parameter directory?
I am working through the examples found here:
https://docs.quantumatk.com/tutorials/transmission_gr_mos2/transmission_gr_mos2.html.
I am thrown the following error after running the setup:
"NL.ComputerScienceUtilities.Exceptions.NLValueError: The Slater-Koster parameters file Mo-Mo.skf was not found.
The full file path should be: C:\Program Files\QuantumATK\QuantumATK-V-2023.09\share\tightbinding\cp2k\Mo-Mo.skf"
However, I cannot find the Mo-S.skf parameters in the quantumATK install. How can I update the tightbinding/ SK parameter directory?