[Pw_forum] workfunction and efield

[Stefano Baroni]

Hi. before calculating anything, I think it is important to define and  
understand what one is going to calculate. Would you please give us a  
definition of "work function under an external field" and compare/ 
contrast it to the accepted definition of "workfunction at zero  
field"? Thanks - SB

On Sep 16, 2009, at 3:53 AM, 程迎春 wrote:

> Dear pwscf users,
>         The PWscf can calculate the workfunction in slab model and  
> the electronic structure under external efield.  I am concerning  
> that whether it it correct to calculate the workfunction of a  
> certain materials under external efield?  Thank you in advance.
>
> -- 
> Y. C. Cheng
> Department of Physics
> Nanjing University
> Nanjing 210093
> P. R. China
> Tel: 86-25-83592907
> Email: yccheng.nju at gmail.com
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

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