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| Format: | Recurso digital |
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Zenodo
2026
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| Online Access: | https://doi.org/10.5281/zenodo.20121457 |
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Table of Contents:
- VASP-like interface for structure relaxation, molecular dynamics, and energy calculations using MACE machine-learning interatomic potentials. Reads POSCAR/INCAR inputs and produces CONTCAR, OUTCAR, OSZICAR, XDATCAR, and vasprun.xml outputs compatible with standard VASP post-processing tools.