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 from my output files.
These are the two websites where you can upload your structure or search your structure or search similar type of materials to your structure and they will find Wyckoff coordinates for your structure.
Md. Tanvir Hossain Thank you for your reply. The materials project website is returning all the atoms' positions as 1a. I am not sure if I am doing anything wrong. Materials cloud seems to take only quantum espresso input files. Is there anything I am doing wrong when I am searching?
In the Materials cloud website you can upload cif file of any compound , there is no need for quantum espresso input files. You can use " seek k path " feature in their website.