| 查看: 504 | 回复: 0 | ||
wgj501木虫 (正式写手)
|
[求助]
VASP计算参数设置
|
|
大家好！请问这种情况在VASP中如何设置参数？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.谢谢大家 |
回复此楼» 猜你喜欢
寻找合作团队
已经有3人回复
-
同一个分子，一条来自文献，一条来自AI——不告诉你答案，你会选哪条？
已经有9人回复
-
某top大学教授说“能够在市场中兑现的能力才是真能力”无比同意！
已经有13人回复
