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How to calculate the force constant of the first step #1

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yhf135 opened this issue Apr 8, 2024 · 0 comments
Open

How to calculate the force constant of the first step #1

yhf135 opened this issue Apr 8, 2024 · 0 comments

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@yhf135
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yhf135 commented Apr 8, 2024

Thank you very much for your code. I want to reproduce your example now, but I am stuck in the first step of force constant. Does this step require first-principles calculation such as VASP? I would appreciate it if you could provide more details.
Thank you ！
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