[Pw_forum] I'm a beginner QE user, please guide me

[Fatemeh Ghanavati]

Dearall

I'ma beginner QE user. I want to calculate a scf and relaxation processor for amolecule including 15 atoms that set between two slab of Au. I don't know whetherto run with quantum espresso package or not? And if  it can be done how I construct molecule structure?as well as how does define k-point and ibrave?

Iwould appreciate if anyone help me.


 
bestregards 



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