Fix broadening for thermal conductivity #136
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@OrbitalC can you update the branch to the base of :main ? |
mjv500
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Sep 5, 2025
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looking good. tests pass. Minor comments in source
mjv500
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Jan 16, 2026
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Looks good. A few TODOs for the future, esp updating tests for different use cases and integration methods
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The default smearing for adaptive gaussian integration can be too large in some cases (steep acoustic phonons for example, like in Si or BAs).
This PR fix this problem in the thermal_conductivity binary