|
|
★
小木虫: 金币+0.5, 给个红包，谢谢回帖
|
It depends on which materials to consider? For example, I always use 3eV or 4eV for transition metal element (Ti3+, V, Cr, Mn, Fe, Co, Ni,,,,) in perovskites. 3eV~4eV is the typical value. However, you still need to do test for the hubbard U values for your own calculated systems--because the HUbbard U depends on the system. Different ones may need different U. |
|
回复此楼
+1/178
