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Summary

Adds a new NEB benchmark for silicon interstitials (MP0 A.1).

Linked issue

Resolves #317

Progress

  • Calculations
  • Analysis
  • Application
  • Documentation

Testing

Tested on CPU with:

  • mace-mp-0a
  • mace-mp-0b3
  • mace-mpa-0
  • mace-omat-0
  • mace-matpes-r2scan
  • orb-v3-consv-inf-omat
  • pet-mad

New decorators/callbacks

None.

@zwei-beiner zwei-beiner changed the title added benchmark Silicon interstitial NEBs Jan 30, 2026
@ElliottKasoar ElliottKasoar added the new benchmark Proposals and suggestions for new benchmarks label Jan 30, 2026
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new benchmark Proposals and suggestions for new benchmarks

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Silicon interstitials

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