You can convert cif file to pdb or xyz file by using the OpenBabel software. After importing to the xcrysden software. The pwscf input file can be generated.

Hello, Mohammad Ishfaq

This is a complicated issue to do with Quantum Espresso. There is a known method which is the Materials Cloud website

https://www.materialscloud.org/work/tools/qeinputgenerator

But check this discursion I made about different descriptions of the same crystal structure, using and not using Materials Cloud tool, and I got different results:

https://www.researchgate.net/post/Input_file_for_Quantum_Espresso_SCF_calculations

Check this other discursion, and check the answer of professor Michal Husak, in which he says that Materials Cloud tool doesn't provide good results:

https://www.researchgate.net/post/How-can-I-transform-a-cif-file-to-input-file-of-Quantum-Espresso

If you get a CIF file with a point group symmetry and few atoms described, do as professor Michal Husak does, describe the atoms as "ATOMIC_POSITIONS crystal_sg " It has to be "crystal_sg" in the unit!

And provide "space_group=..." to &SYSTEM card.

Feel free to reply if you need.

Best regards

Ricardo Tadeu

You manipulate your structure and create inputs for Quantum Espresso at https://matsq.com

(You can also submit jobs on the web)