[Pw_forum] rgen: error 4, too many r-vectors

Martin Andersson ma at nano.ku.dk
Fri Feb 10 10:09:24 CET 2012


I am performing pw.x calculations including empirical london dispersion. 
I was investigating how my results vary as a function of the cutoff for 
the dispersion interaction, and got the following message for very short 

   from rgen : error #         2
      too many r-vectors

with PBE and london_s6=0.75. If I use revpbe and s6=1.25 the error 
number is 4 but otherwise the same.

Any thoughts on why I get this error?

Martin Andersson
University of Copenhagen

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