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Question about Ewald minimizer

Open Juo-kim opened this issue 3 years ago • 0 comments

I have a POSCAR file of Na3Zr2Si2PO12 (mp-532695).

I'd like to substitute Zr2 -> HfZr at POSCAR file and get a minimum Ewald sum structure by using pymatgen.

So I tried to use Ewald minimizer, but I can't understand about the parameter of Ewald minimizer especially m_list.

Can I get a example of Ewald minimizer module? or more explain about the m_list at Ewald minimizer.

Juo-kim avatar Mar 24 '22 07:03 Juo-kim