[Pw_forum] awin in average.x input for 2d monolayer graphene and bilayer Mos2/graphene systems

sufyan sufeer03 at gmail.com
Wed Sep 20 16:33:34 CEST 2017


Dear QE developers and users,

I want to use averge.x to calculate the macroscopic average for 1) mono
layer graphene and also for 2) Mos2/graphene heterostructure, but I have a
problem about the value of awin (the size of the window for macroscopic
averages) for each case due to the large vacuum that we need simulate the
2D system.
Thank you for your help
Best Regards
Sufyan
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