Hi, 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 cutoffs:
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?
Regards,
Martin Andersson
University of Copenhagen
