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Fix imaginary frequencies#1210

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foxtran wants to merge 7 commits intogrimme-lab:maingrimme-lab/xtb:mainfrom foxtran:fix/imaginaryfoxtran/xtb:fix/imaginaryCopy head branch name to clipboard

+25-49

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Commits on Mar 5, 2025

• Do not drop high freqs

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• Small reformat

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• Update low freq threshold

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• Sort all freqs

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• Sort up to 6 zero freqs

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• Allow n3 zero freqs (for frozen atoms)

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• Remove izero

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