[Pw_forum] awin in average.x

manchugh at iitk.ac.in manchugh at iitk.ac.in
Thu Feb 12 14:05:39 CET 2015

Dear all

I am doing planar and macroscopic averages of electrostatic potential for
hexagonal GaN along [0001] direction, where Ga and N are arranged in
separate layers like ABA'B'ABA'B'.....The distance between A and B layers
is 3.73 Bohr and between B and A' is 1.21 Bohr, again for A'B', the
distance is 3.73 Bohr.
Can somebody guide me what should be the 'awin' parameter value to
calculate the macroscopic average of a quantity along [0001] direction
(which is z-direction)?

Thanks in advance.
Research Scholar
Department of Chemistry
Indian Institute of Technology, Kanpur
U.P., India

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