[QE-users] Average.x Input in WorkFct_example

[Lance Kavalsky]

Hello all,


I've been looking through the example for calculating the work function using QE (PP/WorkFct_example) and have a couple questions regarding the inputs for average.x.


Firstly, 1440 points are used for the interpolation, how is this number determined? I noticed in the scf input nr3=144, but it's not clear to me exactly how it is used.


And secondly, the window is selected to be 3.835. Does this window refer to the size of the vacuum region of the cell?


Thanks,

Lance Kavalsky

University of Toronto
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