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Resource Metadata

hash 78535845859dfcd6deff31f6a314a494
metadata modified há 5 meses
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

Ultima atualização 21 de maio de 2025
Criado 14 de maio de 2025
Formato application/vnd.openxmlformats-officedocument.spreadsheetml.sheet
Licença Nenhuma Licença Fornecida
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