Alex Lai

2 Questions 4 Answers 0 Followers

Questions related from Alex Lai

Why Is There a Large Difference Between the Fermi Level and VBM in My DOS Calculation?

I am currently performing calculations on Ce-doped YAlO₃ and have reached the DOS (Density of States) analysis. I am using VASP for the calculations and VASPKIT for plotting the DOS. The issue I...

27 February 2025 9,311 3 View

Why Does the VASP Calculation for Yb-Doped YAlO₃ Fail to Converge?

Currently, I am optimizing YAlO₃ doped with lanthanide elements. For simpler elements like Ce and Pr, everything works fine. However, when doping with Yb, something strange happens: the...

10 December 2024 9,656 8 View