A robust, simple, and efficient convergence workflow for GW calculations
Abstract A robust, simple, and efficient convergence workflow for GW calculations in plane-wave-based codes is derived from more than 7000 GW calculations on a diverse dataset of 70 semiconducting and insulating solids divided into 60 bulk and 10 2D materials. The workflow can significantly accelera...
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| Principais autores: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Portfolio
2024-06-01
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| coleção: | npj Computational Materials |
| Acesso em linha: | https://doi.org/10.1038/s41524-024-01311-9 |
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