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When using kpar, the band information of partial k points are outputted in running_xxx.log #5051

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pxlxingliang opened this issue Sep 5, 2024 · 0 comments · May be fixed by #5847
Open
16 tasks

When using kpar, the band information of partial k points are outputted in running_xxx.log #5051

pxlxingliang opened this issue Sep 5, 2024 · 0 comments · May be fixed by #5847
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@Qianruipku
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Input&Output Suitable for coders without knowing too many DFT details

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@pxlxingliang
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Describe the bug

For example, if one system has 80 k points, and when setting kpar=4, will the band information of only 20 k points are outputted in running_xxx.log file.

Expected behavior

In running_xxx.log file, the band information of all k points can be outputted.

To Reproduce

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Environment

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Additional Context

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@mohanchen mohanchen added the Input&Output Suitable for coders without knowing too many DFT details label Sep 5, 2024
@mohanchen mohanchen assigned sunliang98 and unassigned pxlxingliang Oct 17, 2024
@mohanchen mohanchen assigned mohanchen and unassigned sunliang98 Nov 23, 2024
@mohanchen mohanchen assigned Qianruipku and unassigned mohanchen Jan 9, 2025
@Qianruipku Qianruipku linked a pull request Jan 11, 2025 that will close this issue
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Fix: wrong band output when kpar > 1 Qianruipku/abacus-develop
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@mohanchen @sunliang98 @Qianruipku @pxlxingliang