Nguyen TRUNG Hieu

3 Questions 10 Answers 0 Followers

Questions related from Nguyen TRUNG Hieu

Can XPS tell the position of dopants?

Dear all, can XPS give information about the position of dopants? Thanks.

23 October 2023 1,868 3 View

How to fix the direction of magnetic moments of atoms in a CASTEP calculation?

Can we fix the direction of magnetic moments of atoms in a CASTEP geometry optimization? I want to fix the directions only, not their values. Thanks.

03 April 2023 5,304 7 View

Mulliken analysis and Hirshfeld analysis, which one should we use to conclude about values of atomic spin?

In output of CASTEP population calculation, there are Mulliken analysis and Hirshfeld analysis, both show values of spin of atoms. These values are not the same. So which one should we use to...

28 March 2022 663 3 View