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

Dae Kwang Jun jdaekwang at gmail.com
Wed May 18 09:54:52 CEST 2016


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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