[QE-users] Trouble reading Atomic Positions from CIF file

[Aziz Fall]

Dear Quantum Espresso team,

I am a researcher from the University of Michigan Ann Arbor. I am still
fairly new to Quantum Espresso. I have been recently trying to run a band
structure calculation of CrI3. The first step I took was to write the scf
input file for CrI3 and plug in all of the cell parameters and atomic
positions from a corresponding CIF file that I downloaded from Springer.
But when I visualize the scf file in XCrysden it gives me the wrong atomic
structure, even though the atomic positions I put into it are from the cif
file. Any help in solving this problem would be greatly appreciated. I have
attached both my scf and cif files below.


Thank You,
Sincerely Aziz Fall
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