[Pw_forum] work function
mohammad.moaddeli at gmail.com
Sat Dec 13 19:11:51 CET 2014
I am doing Work Function calculation for graphene. For the Avg input file,
I wonder how I should choose the value of npt (the number of points of the
thick mesh). I have also some problems with the value of awin (the size of
the window for macroscopic averages). In WF examples the awin value is the
distance between layers for a 4 layer Al100 supercell. I wonder how I
should choose the value of this parameter for 1 layer graphene.
Thanks and regards,
Shahid Chamran University of Ahvaz, Ahvaz, Iran
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