deepmodeling / deepmodeling/DeePTB

Problem in parsing data with dftio-tool for spin-orbit calculations

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#290 2 comments 1 reaction 1 assignee Claimed by @floatingCatty View on GitHub
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Python
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Description

### Describe Current Status and Possible Solution

I wanted to ask about the dftio-tool package: is it able to parse ABACUS outputs that include SOC? I am currently getting the following error when trying to parse SOC results, whereas it works fine without SOC. while parsing with soc it give following error as shown in screenshot.
Please help me to solve this

Image

problem, thanks a lot

### Additional Context

_No response_

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