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Resource Metadata

hash 78535845859dfcd6deff31f6a314a494
metadata modified prieš 1 mėnesį
method Density functional theory
mimetype application/vnd.openxmlformats-officedocument.spreadsheetml.sheet
modelling and simulation comments Migration barriers calculated with nudged elastic band method. Formation energies computed with the HSE06 hybrid functional.
size 22,4 KiB
software VASP

Paskutinį kartą atnaujinta 2025 m. gegužės 21 d.
Sukurtas 2025 m. gegužės 14 d.
Formatas application/vnd.openxmlformats-officedocument.spreadsheetml.sheet
Licencija No License Provided
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