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ASE Calculator #2

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izxle opened this issue Apr 4, 2023 · 0 comments
Open

ASE Calculator #2

izxle opened this issue Apr 4, 2023 · 0 comments

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@izxle
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izxle commented Apr 4, 2023

Hi, everyone.

I'm writing this issue post to request guidance on using AIMNetNSE with the Atomic Simulation Environment (ASE). Specifically, I'm creating a calculator based on the one written for AIMNet. I'd like to know if there's an existing ASE calculator I could use or if anyone has any tips on going about this process. I'd be happy to collaborate with others who are also working on this.

Thanks in advance for your help!
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@izxle