Fix: Fix cal_bandgap for parallelism of k-points and band.#6602
Merged
mohanchen merged 2 commits intodeepmodeling:developfrom Oct 15, 2025
Merged
Fix: Fix cal_bandgap for parallelism of k-points and band.#6602mohanchen merged 2 commits intodeepmodeling:developfrom
cal_bandgap for parallelism of k-points and band.#6602mohanchen merged 2 commits intodeepmodeling:developfrom
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mohanchen
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Oct 15, 2025
mohanchen
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Oct 15, 2025
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Reminder
Linked Issue
Fix #6601
Unit Tests and/or Case Tests for my changes
What's changed?
This PR fixes inconsistencies in parallel computation results. Below are two examples demonstrating the improvements:
Before fix:
After fix:
Before fix:
After fix:
Results are now consistent across different parallel configurations
Any changes of core modules? (ignore if not applicable)