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calculation of Born effective charge #6168

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calculation of Born effective charge#6168
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mohanchen
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Features NeededThe features are indeed needed, and developers should have sophisticated knowledge

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@MoseyQAQ
MoseyQAQ
opened on Apr 24, 2025

Background

Born effective charges describe the response of materials under an external electric field, and some popular DFT codes can directly calculate it.

Describe the solution you'd like

Implementation of Born Effective Charge Calculation Module​

Activity

  1. mohanchen commented on Apr 28, 2025

    @mohanchen
    mohanchen
    on Apr 28, 2025
    Collaborator

    Thanks for your suggestions, I agree with you, we will implement the feature in near future, currently we still need developers for this particular function

  2. mohanchen
    added
    QuestionsRaise your quesiton! We will answer it.
    Features NeededThe features are indeed needed, and developers should have sophisticated knowledge
    and removed
    QuestionsRaise your quesiton! We will answer it.
    on Apr 28, 2025
  3. mohanchen
    self-assigned this
    on Apr 28, 2025
  4. goodchong
    converted this issue into a discussion #7032 on Mar 17, 2026
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