[Pw_forum] awin in average.x

Omamuyovwi Akemu omamuyovwiakemu at yahoo.com
Sun Feb 15 22:17:52 CET 2015

Dear Manjusha

>Can somebody guide me what should be the 'awin' parameter value to

>calculate the macroscopic average of a quantity along [0001] direction

awin is the size of the window for macroscopic averages.

From the WorkFct_example in QE version 4.3.2, awin = 3.835000000 obtained by first multiplying celldm(1) and  celldm(3) and then dividing the outcome of the multiplication by the number layers in the bulk of the material( ie number of layers in slab+number of layers of vacuum).

I hope this helps.


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