[Pw_forum] work function of ZnO nano wire with metal in top of it.

[Bipul Rakshit]

Dear PWSCF users,
I want to calculate work function of ZnO Nano-wire with some metal at top
(Ag). So Can it be done in the same way given in the example in quantum
espresso package?
My doubt is, if its only ZnO nano wire, then I have to do one calculation
of the ZnO Nano-wire(with vaccuum) , and ZnO bulk (i.e. wurtzite).

But now in case of ZnO Nano-wire  with metal in top, how I have to proceed?

do I have to do ZnO nano-wire (with vaccum), ZnO bulk and Ag bulk ?

kindly help.
regards

-- 
Dr. Bipul Rakshit
Research Associate,
Institute of Physics (IOP),
Bhubaneswar- 751 005
Orissa
India
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