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[Feature Request] GPAW implementation #1446

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thangckt opened this issue Jan 7, 2024 · 3 comments
Closed

[Feature Request] GPAW implementation #1446

thangckt opened this issue Jan 7, 2024 · 3 comments
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enhancement New feature or request help wanted

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@thangckt
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thangckt commented Jan 7, 2024

Summary

Dear Developers,

I wonder if you have plan to implement GPAW?

Detailed Description

Thanks

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@thangckt thangckt added the enhancement New feature or request label Jan 7, 2024
@thangckt
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thangckt commented Mar 8, 2024 •
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@njzjz
Can you have a little guide on how to add a new DFT calculator to dpgen?
I want to try with gpaw

Thank

@njzjz
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njzjz commented Mar 8, 2024

First, add the input/output format to dpdata. Examples are:

Then you may do a similar work to #1244. (Or perhaps you may find #1244 is enough)

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thangckt commented Mar 14, 2024 •
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hi @njzjz

Thank you for your guide.

@thangckt thangckt closed this as completed Apr 1, 2024
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