[Pw_forum] Role of awin for macroscopic average calculation

[shashi bhusan mishra]

Dear QE users,

          I have a query regarding calculation of macroscopic and planar
average potential. While creating the input for average potential, what is
the role of the term *awin* ( the size of the window for macroscopic
averages). Can anyone give some more detail about the role of awin term and
how to choose suitable size ?
   In addition to that while calculating the planar average, though I
 specified nx,ny and nz values, the program sets automatic mesh grid size.
Is it automatic or user specified ? The file format is shown below:
           &inputPP
            outdir='/',
            plot_num=11
            filplot = 'test.pot'
        /   &plot
           iflag=3,
          output_format=3
           nx=51,ny=51,nz= 121
       /
and averge input file:
1
filename
1.0
3000
3
2.59

Thanks in advance.



Thanks and regards,

Shashi Bhusan Mishra
Research Scholar,
Dept.
​o​
f Physics,
Room No- HSB209A
IIT Madras-36



<https://mailtrack.io/> Sent with Mailtrack
<https://mailtrack.io/install?source=signature&lang=en&referral=mshashi125@gmail.com&idSignature=22>
<#>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170917/2b34c36e/attachment.html>