[Pw_forum] problem with average.x (average potential) calculation
Paolo Giannozzi
giannozz at democritos.it
Tue Apr 10 19:30:13 CEST 2012
On Apr 10, 2012, at 24:39 , Tram Bui wrote:
> 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?
the issue is that you gave a wrong input. Please look in
examples/WorkFct/ for a case where "average.x" is used
P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
More information about the Pw_forum
mailing list