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Add keyword to turn off calculating spectrum #87

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merged 1 commit into from
Feb 5, 2025

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mbagheri20
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Hello,

It would be nice if the user could decide about calculating the phonon spectrum. It decreases the calculation time by avoiding the phonon band and DOS.
The "calc_spec" keyword in the "PhononWorkflow" can be False and do the job.

@mbagheri20
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@microsoft-github-policy-service agree

@yanghan234 yanghan234 self-requested a review February 5, 2025 02:25
@yanghan234 yanghan234 merged commit 4a07e10 into microsoft:main Feb 5, 2025
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@yanghan234
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Thank you @mbagheri20! This looks good to me, so I have merged it.

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2 participants