[QE-users] average.x input file

[Kazume NISHIDATE]

Dear Hosseini

The source code, average.f90, is located at the directory of PP,

=> PP/src/average.f90

in which you can find a detailed description for the input parameters.


敬具　西館
best regards

nisidate at iwate-u.ac.jp
kazume.nishidate at gmail.com
2021年12月29日 13:35 +0900、Mohammadreza Hosseini <mhr.hosseini at modares.ac.ir> のメール:
> Dear users
>
> I am going to compute work-function for a carbon based 2-D material. As provided in QE package, PP section, we need to perform calculation using average.x utility. The input file is available but the details about the shown numbers are missed. Can anyone help us set the proper input for our structure?
>
>
> M. R. Hosseini
> Tarbiat modares university
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