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Fixed calculation of mu from input potential#1468

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esoteric-ephemera merged 1 commit into
materialsproject:mainfrom
soge8904:main
May 4, 2026
Merged

Fixed calculation of mu from input potential#1468
esoteric-ephemera merged 1 commit into
materialsproject:mainfrom
soge8904:main

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@soge8904
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@soge8904 soge8904 commented Apr 28, 2026

Summary

  • The old equation to calculate the mu input to set as "target-mu" in input file from the user potential (given in V) was incorrect. Fixed it according to the JDFTx documentation.
    Link to the docs: [https://jdftx.org/CommandTargetMu.html]

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Thanks @soge8904 can you send a link to the docs with this?

@soge8904
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Yes!
Link to the docs: [https://jdftx.org/CommandTargetMu.html]

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Great thanks, looks good to me!

@esoteric-ephemera esoteric-ephemera enabled auto-merge (squash) May 4, 2026 21:46
@esoteric-ephemera esoteric-ephemera merged commit 6e13bdc into materialsproject:main May 4, 2026
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2 participants