[Pw_forum] Clarification on idir and awin in average.f90

[Dae Kwang Jun]

Dear Giovanni Cantele,

Thank you once again. Also, there seems to be a typo in the example for
workfunctions in PP/examples. The example states that the workfunction
calculation is for Al100. However, its idir is set to 3. I think it should
be Al001 instead. Lastly, I will check the units and put them here later.

Sincerely,

Dae Kwang Jun

On Wed, May 18, 2016 at 4:54 PM, Dae Kwang Jun <jdaekwang at gmail.com> wrote:

> Dear all,
>
> I would like to make sure whether I am using these parameters correctly. I
> know that idir is the fixed index which defines the planes of the planar
> average. I also know that awin is the size of the window for macroscopic
> averages.
>
> However, I do not quite understand what is meant by these two statements.
> In the tetragonal lattice, it appears that idir=3 takes the average of
> planes that are perpendicular to the vector that has length = a. And that
> idir = 1 takes the average of planes that are perpendicular to the vector
> that has length = c. Is this correct? And does it follow the same logic in
> other lattices?  Lastly, does awin refer to the area of the plane? Or does
> it refer to the thickness of the plane?
>
> Thank you in advance,
>
> Dae Kwang Jun
>
>
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