[Feature Request] GPAW implementation

Open thangckt opened this issue 2 years ago • 3 comments

Dear Developers,

I wonder if you have plan to implement GPAW?

Thanks

No response

Jan 07 '24 17:01 thangckt

@njzjz Can you have a little guide on how to add a new DFT calculator to dpgen? I want to try with gpaw

Thank

Mar 08 '24 05:03 thangckt

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

Then you may do a similar work to https://github.com/deepmodeling/dpgen/pull/1244. (Or perhaps you may find #1244 is enough)

Mar 08 '24 05:03 njzjz

hi @njzjz

Thank you for your guide.

Mar 14 '24 08:03 thangckt