Dear Giovanni Cantele, Thank you once again. Also, there seems to be a typo in the example for workfunctions in PP/examples. The example states that the workfunction calculation is for Al100. However, its idir is set to 3. I think it should be Al001 instead. Lastly, I will check the units and put them here later.
Sincerely, Dae Kwang Jun On Wed, May 18, 2016 at 4:54 PM, Dae Kwang Jun <[email protected]> wrote: > 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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