[DFTB-Plus-User] problem with DFT-D3
aradi at uni-bremen.de
Wed Dec 21 14:16:53 CET 2016
On 12/21/2016 12:33 PM, samala nagaprasad reddy wrote:
> Dear Users,
> I am getting error (given below) in my simulations, The problem is
> coming from dispersion with DFTD3. When I change the dispersion to
> LennardJones, UFF, it is working fine. I don't know why I am getting
> this error. If some one helps to resolve the problem, I really
Just to check. Do you use the precompiled binary? If yes, did you set
'ulimit -s unlimited'?
It that does not solve the problem, could you send me a mail off-list
with the full input, so that I can reproduce your case.
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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