How to convert a cif file to a qe file?

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Shahram Yalameha

Hi,

dear jeniffer,

The following addresses will help you:

https://github.com/pchuy1906/cif2qe

http://www.densityflow.com/cif2qe.php

best,

shahram

Mohamed Ali Lahmer

Deear jeniffer

you can use the cif2cell software. it can do this step in a simple and a nice manner and it is easy to use.

best

Berna Uyanık

cif2cell is an option. You can follow steps in this video.

https://www.youtube.com/watch?v=nuhkPjA6w1Y

Another option is Atomistix ToolKit (ATK).

Minkyu Park

Introduce very easy way (FREE)

1. Go to https://www.materialssquare.com/ and sign-up

2. Upload structure

3. Export as a quantum-espresso input file