[Pw_forum] file .workf

[glevita at units.it]

Dear Paolo, in fact you're right. Yesterday I searched through the  
subroutine, and got (roughly) what I needed to know. The row incuding  
the "slice number" should be the calculated wrkf (using the total  
electrostatic potential) and its variance, the following row are the  
workf without XC and its variance.
A bit uneasy format to plot, maybe. I also struggled a bit to plot  
along an axis other than z (I preferred to rotate the cell...).
Then there will be further questions about the reliability of the  
workfunction of a metal slab+organic adsorbate... but for the moment I  
prefer get the basics going.
Sorry for the thread: sometimes you feel it's easier to ask the forum  
rather than investigating subroutines! :-)
Thanks,
  Giacomo



Quoting Paolo Giannozzi <giannozz at democritos.it>:

>
> On Jul 14, 2008, at 14:09 , glevita at units.it wrote:
>
>> I have some doubts about the file .workf produced in post-processing
>> operations.
>
> please look into file PP/work_function.f90 (file .workf is unit 17),
> clarify
> your doubts, and most important: report what you discover
>
> Paolo
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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