[Pw_forum] problem with average.x (average potential) calculation

Tram Bui trambui at u.boisestate.edu
Tue Apr 10 00:39:38 CEST 2012


Dear All QE Users,

    I did an average.x calculation for my bulk SiC structure. I know the
process includes: scf calculation, pp.x to obtain 3D potential, then
average.x to obtain macroscopic 1D potential. For an input file of
average.x calculation, and I defined the nfile=1, since I have only one
data file from pp.x calculation. I got an error say: "nfile value is
wrong". Would you please give me some suggestion on what might be the issue?

Thank you very much,

Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
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