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Tight Tier 1
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Topic: Tight Tier 1 (Read 3068 times)
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dprai
Regular QuantumATK user
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Learning Simulation of Nanoelectronics
Tight Tier 1
«
on:
December 27, 2022, 08:19 »
What are the underlying theory behind Tight Tier 1 and similar other Tight Tier basis sets?
I could not find it in the manual. Can anyone share a link to it?
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Anders Blom
QuantumATK Staff
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Re: Tight Tier 1
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Reply #1 on:
January 18, 2023, 00:22 »
In short, I would not use them, they are only included for legacy support. The idea was taken from a similar concept in the FHIAims code, you can probably find some details in
https://molmod.ugent.be/sites/default/files/deltadftcodes/supplmat/SupplMat-AIMS-tight.pdf
and references therein.
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