[Pw_forum] Can pwscf calculate the structure of charged slab ?

[xirainbow]

Dear Swapnil:

 Dear pwscf users,
> I wonder if pwscf is capable of calculating the equilibrium structure of
> charged system, e.g., charged 2D slab. As I know VASP is unable to calculate
> the energe of charged slab, what about pwscf?
>
I beg to differ.
As far as I know, both vasp ans QE can deal with charged system.
If you searched "charged  pwscf" or "charged vasp", you will get a lot of
helpful results.




> Thanks!
>
> 2011-05-12
> ------------------------------
>  taoohee
>

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>


-- 
____________________________________
Hui Wang
School of physics, Fudan University, Shanghai, China
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