Md Takmil Sakir

3 Questions 2 Answers 0 Followers

Questions related from Md Takmil Sakir

How to plot LDOS against distance (Ang) instead of energy?

I am using VASP and vaspkit to plot Local Density of States. I am trying to see the LDOS difference in different position of the structure. How to plot LDOS against distance (Ang) instead of...

11 June 2024 8,961 1 View

For an interface of 2 slabs of 2 materials in DFT calculations, is there any way to local calculate stress tensors in both slabs separately?

Hi, I am using VASP to simulate interface of 2 block material slabs. After bringing them together I can get the stress tensor for the whole simulation box from OUTCAR. However, is there any way to...

24 May 2024 3,439 1 View

Is there any software that can take atomic positions as input (e.g. VASP POSCAR file) and give me the output of Wyckoff positions?

Is there any software that can take atomic positions as input (e.g. VASP POSCAR file) and give me the output of Wyckoff positions? I am trying to find vacancies of some specific Wyckoff positions...

20 May 2024 7,752 3 View