Dear

to calculate electronic affinity with quantum espresso you need to use a slab model for your material. then you need to calculate the electrostatic potential distribution along the Z direction (normal to the slab surfaace). the electronic affinity can be defined as the difference between the vaccum level and the LUMO level (Conduction band in the case of SC)

best regards

Dear Jamshid,

Following article link explained really well that how to calculate EA in quantum expresso:

https://lists.quantum-espresso.org/pipermail/users/2016-January/034408.html

Hope this helps.

ms Jain

thank you very much

you can have a look to the following papers, I can give you more explanation if you need further help.

https://iopscience.iop.org/article/10.1088/0957-4484/19/02/025711/meta

Article Ab initio study of electron affinity variation induced by or...

I agree with Giovanni Cantele

You can follow https://iopscience.iop.org/article/10.1088/0957-4484/19/02/025711/meta