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
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