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Consider 'LSORBIT = True', how to use pymatgen plot element-project-DOS? #4216

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phyfang opened this issue Dec 4, 2024 · 1 comment
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@phyfang
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phyfang commented Dec 4, 2024

Python version

python--3.12

Pymatgen version

2024.11.13

Operating system version

Win-11

Current behavior

for LSORBIT = F and LNONCOLLINEAR = F,I can get element-project-DOS easily, but if LSORBIT = T and LNONCOLLINEAR = T,how can I use pymatgen to get element-project-DOS?If I use the same code as LSORBIT = F,I will get wrong results.
?

Expected Behavior

I know this is not a BUG,so how can I use pymatgen to get element-project-DOS?

Minimal example

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Relevant files to reproduce this bug

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@kavanase
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kavanase commented Jan 2, 2025

Hi @phyfang, I think this is fixed by my recent PR here: #4239

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