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wgj501木蟲 (正式寫手)
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[求助]
VASP計算參數(shù)設(shè)置
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大家好!請問這種情況在VASP中如何設(shè)置參數(shù)?As discussed in ref 15, the Co3O4(110) surface shows a delicate surface magnetic ordering. Whereas the magnetic ordering is not expected to have a significant impact on water adsorption, all calculations were consistently performed on the ground magnetic state of the corresponding surface model to avoid possible errors from different magnetic orderings.謝謝大家 |

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